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Sample records for ultrathin bcc fe

  1. Fabry-Perot magnonic ballistic coherent transport across ultrathin ferromagnetic lamellar bcc Ni nanostructures between Fe leads

    Science.gov (United States)

    Khater, A.; Saim, L.; Tigrine, R.; Ghader, D.

    2018-06-01

    We propose thermodynamically stable systems of ultrathin lamellar bcc Ni nanostructures between bcc Fe leads, sbnd Fe[Ni(n)]Fesbnd , based on the available literature for bcc Ni overlayers on Fe(001) surfaces, and establish the necessary criteria for their structural and ferromagnetic order, for thicknesses n ≤ 6 bcc Ni monatomic layers. The system is globally ferromagnetic. A theoretical model is presented to investigate and understand the ballistic coherent scattering of Fe spin-waves, incident from the leads, at the ferromagnetic bcc Ni nanostructure. The Nisbnd Ni and Nisbnd Fe exchange are computed using the Ising effective field theory (EFT), and the magnetic ground state of the system is constructed in the Heisenberg representation. We compute the spin-wave eigenmodes localized on the bcc Ni nanostructure, using the phase field matching theory (PFMT), illustrating the effects of symmetry breaking on the confinement of localized spin excitations. The reflection and transmission scattering properties of spin-waves incident from the Fe leads, across the embedded Ni nanostructures are investigated within the framework of the same PFMT methodology. A highly refined Fabry-Perot magnonic ballistic coherent transmission spectra is observed for these sbnd Fe[Ni(n)]Fesbnd systems.

  2. Vacancy-mediated fcc/bcc phase separation in Fe1 -xNix ultrathin films

    Science.gov (United States)

    Menteş, T. O.; Stojić, N.; Vescovo, E.; Ablett, J. M.; Niño, M. A.; Locatelli, A.

    2016-08-01

    The phase separation occurring in Fe-Ni thin films near the Invar composition is studied by using high-resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 ∘C ,Fe0.70Ni0.30 films on W(110) break into micron-sized bcc and fcc domains with compositions in agreement with the bulk Fe-Ni phase diagram. Ni is found to be the diffusing species in forming the chemical heterogeneity. The experimentally determined energy barrier of 1.59 ±0.09 eV is identified as the vacancy formation energy via density functional theory calculations. Thus, the principal role of the surface in the phase separation process is attributed to vacancy creation without interstitials.

  3. Metastable bcc Fe-Mn alloys produced by rf sputtering

    International Nuclear Information System (INIS)

    Sumiyama, Kenji; Kadono, Masaru; Nakamura, Yoji

    1981-01-01

    Fe sub(1-x)Mn sub(x) alloy films obtained by rf sputtering technique have been investigated by X-ray diffraction, magnetization and Moessbauer effect measurements. The single bcc phase extends up to about x = 0.2, while a bcc-fcc mixed phase appears for x = 0.2 - 0.26. The lattice constants of the bcc phase are about 0.5% larger than those of the bulk specimens. The magnetization decreases monotonically with increasing x in the bcc phase, while it decreases sharply in the bcc-fcc mixed phase. These results are consistent with the Moessbauer spectra of these alloy films. The volume fraction of bcc and fcc phases has been estimated from Moessbauer analyses as well as magnetization measurements. (author)

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

    Science.gov (United States)

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

    2018-04-01

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

  5. Hydrogen storage in Ti-Mn-(FeV) BCC alloys

    International Nuclear Information System (INIS)

    Santos, S.F.; Huot, J.

    2009-01-01

    Recently, the replacement of vanadium by the less expensive (FeV) commercial alloy has been investigated in Ti-Cr-V BCC solid solutions and promising results were reported. In the present work, this approach of using (FeV) alloys is adopted to synthesize alloys of the Ti-Mn-V system. Compared to the V-containing alloys, the alloys containing (FeV) have a smaller hydrogen storage capacity but a larger reversible hydrogen storage capacity, which is caused by the increase of the plateau pressure of desorption. Correlations between the structure and the hydrogen storage properties of the alloys are also discussed.

  6. Agglomeration Versus Localization Of Hydrogen In BCC Fe Vacancies

    International Nuclear Information System (INIS)

    Simonetti, S.; Juan, A.; Brizuela, G.; Simonetti, S.

    2006-01-01

    Severe embrittlement can be produced in many metals by small amounts of hydrogen. The interactions of hydrogen with lattice imperfections are important and often dominant in determining the influence of this impurity on the properties of solids. The interaction between four-hydrogen atoms and a BCC Fe structure having a vacancy has been studied using a cluster model and a semiempirical method. For a study of sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near to the tetrahedral sites neighbouring the vacancy. VH 2 and VH 3 complexes are energetically the most stables in BCC Fe. The studies about the stability of the hydrogen agglomeration gave as a result that the accumulation is unfavourable in complex vacancy-hydrogen with more than three atoms of hydrogen. (authors)

  7. Helium bubbles in bcc Fe and their interactions with irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Gai, Xiao, E-mail: X.Gai@lboro.ac.uk; Lazauskas, Tomas; Smith, Roger; Kenny, Steven D.

    2015-07-15

    The properties of helium bubbles in a body-centred cubic (bcc) Fe lattice have been examined. The atomic configurations and formation energies of different He–vacancy complexes were determined. The 0 K results show that the most energetically favourable He to Fe vacancy ratio increases from about 1:1 for approximately 5 vacancies up to about 4:1 for 36 vacancies. The formation mechanisms for small He clusters have also been considered. Isolated interstitials and small clusters can diffuse quickly through the lattice. MD simulations of randomly placed interstitial He atoms at 500 K showed clustering over the time scale of nanoseconds with He clusters containing up to 4 atoms being mobile over this time scale. He clusters containing 4 or 5 atoms were shown to eject an Fe dumbbell interstitial which could then detach from the He cluster and diffuse with the remaining He–vacancy complex being effectively immobile. Collision cascades initiated near larger bubbles showed that Fe vacancies produced by the cascades readily become part of the He–vacancy complexes. Energy barriers for He to join an existing bubble as a function of the He–vacancy ratio are also calculated. These can be larger than the diffusion barrier in the pristine lattice, but are lower when the bubbles contain excess vacancies, thus indicating that bubble growth may be kinetically constrained.

  8. Evolution of anisotropy in bcc Fe distorted by interstitial boron

    Science.gov (United States)

    Gölden, Dominik; Zhang, Hongbin; Radulov, Iliya; Dirba, Imants; Komissinskiy, Philipp; Hildebrandt, Erwin; Alff, Lambert

    2018-01-01

    The evolution of magnetic anisotropy in bcc Fe as a function of interstitial boron atoms was investigated in thin films grown by molecular beam epitaxy. The thermodynamic nonequilibrium conditions during film growth allowed one to stabilize an interstitial boron content of about 14 at .% accompanied by lattice tetragonalization. The c /a ratio scaled linearly with the boron content up to a maximum value of 1.05 at 300 °C substrate growth temperature, with a room-temperature magnetization of. In contrast to nitrogen interstitials, the magnetic easy axis remained in-plane with an anisotropy of approximately -5.1 ×106erg /cm3 . Density functional theory calculations using the measured lattice parameters confirm this value and show that boron local ordering indeed favors in-plane magnetization. Given the increased temperature stability of boron interstitials as compared to nitrogen interstitials, this study will help to find possible ways to manipulate boron interstitials into a more favorable local order.

  9. Spin-polarized scanning tunneling microscopy of magnetic nanostructures at the example of bcc-Co/Fe(110), Fe/Mo(110), and copper phthalocyanine/Fe(1110); Spinpolarisierte Rastertunnelmikroskopie magnetischer Nanostrukturen am Beispiel von bcc-Co/Fe(110), Fe/Mo(110) und Kupfer-Phthalocyanin/Fe(110)

    Energy Technology Data Exchange (ETDEWEB)

    Methfessel, Torsten

    2010-12-09

    This thesis provides an introduction into the technique of spin-polarized scanning tunnelling microscopy and spectroscopy as an experimental method for the investigation of magnetic nanostructures. Experimental results for the spin polarized electronic structure depending on the crystal structure of ultrathin Co layers, and depending on the direction of the magnetization for ultrathin Fe layers are presented. High-resolution measurements show the position-dependent spin polarization on a single copper-phthalocyanine molecule deposited on a ferromagnetic surface. Co was deposited by molecular beam epitaxy on the (110) surface of the bodycentered cubic metals Cr and Fe. In contrast to previous reports in the literature only two layers of Co can be stabilized in the body-centered cubic (bcc) structure. The bcc-Co films on the Fe(110) surface show no signs of epitaxial distortions. Thicker layers reconstruct into a closed-packed structure (hcp / fcc). The bcc structure increases the spin-polarization of Co to P=62 % in comparison to hcp-Co (P=45 %). The temperature-dependent spin-reorientation of ultrathin Fe/Mo(110) films was investigated by spin-polarized spectroscopy. A reorientation of the magnetic easy axis from the [110] direction along the surface normal to the in-plane [001] axis is observed at T (13.2{+-}0.5) K. This process can be identified as a discontinuous reorientation transition, revealing two simultaneous minima of the free energy in a certain temperature range. The electronic structure of mono- and double-layer Fe/Mo(110) shows a variation with the reorientation of the magnetic easy axis and with the direction of the magnetization. The investigation of the spin-polarized charge transport through a copper-phthalocyanine molecule on the Fe/Mo(110) surface provides an essential contribution to the understanding of spin-transport at the interface between metal and organic molecule. Due to the interaction with the surface of the metal the HOMO-LUMO energy

  10. Slip transmission in bcc FeCr polycrystal

    Energy Technology Data Exchange (ETDEWEB)

    Patriarca, Luca, E-mail: luca.patriarca@polimi.it [Politecnico di Milano, Department of Mechanical Engineering, Via La Masa 34, I-20156 Milano (Italy); Abuzaid, Wael; Sehitoglu, Huseyin [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, 1206W. Green St., Urbana, IL 61801 (United States); Maier, Hans J. [Institut für Werkstoffkunde, Leibniz Universität Hannover, An der Universität 2, D-30823 Garbsen (Germany)

    2013-12-20

    Grain boundaries induce heterogeneities in the deformation response of polycrystals. Studying these local variations in response, measured through high resolution strain measurement techniques, is important and can improve our understanding of fatigue damage initiation in the vicinity of grain boundaries and material hardening. In this work, strain fields across grain boundaries were measured using advanced digital image correlation techniques. In conjunction with strain measurements, grain orientations from electron back-scattered diffraction were used to establish the dislocation reactions at each boundary, providing the corresponding residual Burgers vectors due to slip transmission across the interfaces. A close correlation was found between the magnitude of the residual Burgers vector and the local strain change across the boundary. When the residual Burgers vector magnitude (with respect to the lattice spacing) exceeds 1.0, the high strains on one side of the boundary are paired with low strains across the boundary, indicating the difficulties for slip dislocations to penetrate the grain interfaces. When the residual Burgers vector approaches zero, the strain fields vary smoothly across the boundary due to limited resistance to slip transmission. The results suggest that the residual Burgers vector magnitude, which relates to the GB (Grain Boundary) resistance to slip transmission, enables a quantitative analysis of the accumulation of strain at the microstructural level and the development of strain heterogeneities across grain boundaries. The results are presented for FeCr bcc alloy which exhibits single slip per grain making the measurements and dislocation reactions rather straightforward. The work points to the need to incorporate details of slip dislocation–grain boundary interaction (slip transmission) in modeling research.

  11. Nucleation and growth of a BCC Fe phase deposited on a single crystal (001) Cu film

    International Nuclear Information System (INIS)

    Koike, J.

    1991-01-01

    As a thin film overlayer grows on a substrate with a different structure, the overlayer initially adopts the substrate structure and subsequently transforms to an equilibrium bulk structure. such a growth characteristic has been extensively studied in Fe/Cu bicrystals. An Fe overlayer grown on a Cu substrate is known to have the fcc structure up to a thickness of 2 nm, whereas a thicker Fe overlayer consists of submicrometer grains of the bcc-Cu has been reported in a relatively thick Fe film and was found to consist of the Nishiyama (N), Kurdjumov-Sacks (KS), or Pitsch (P), depending on the orientation of the substrate surface. However, previous studies have not explained how the bcc structure nucleates or how the observed submicrometer polycrystalline grains form. The paper provides an understanding of these two points. Transmission electron microscopy (TEM) was used to study Fe/Cu bicrystals as the Fe thickness was varied systematically. Analysis of moire fringes, which are caused by superposition of different structures, enabled us to determine the orientation relationship between the very thin Fe layer and the Cu substrate. We show that a single variant of the P orientation relationship, which accompanies atomic rearrangement parallel to the interface, predominates at the nucleation stage of the bcc structure. Nucleation of other variants of P, N, and KS occurs with increasing Fe thickness and causes the formation of the submicrometer bcc grains

  12. NiFe epitaxial films with hcp and fcc structures prepared on bcc-Cr underlayers

    Energy Technology Data Exchange (ETDEWEB)

    Higuchi, Jumpei, E-mail: higuchi@futamoto.elect.chuo-u.ac.jp [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Ohtake, Mitsuru; Sato, Yoichi [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2011-09-30

    NiFe epitaxial films are prepared on Cr(211){sub bcc} and Cr(100){sub bcc} underlayers grown hetero-epitaxially on MgO single-crystal substrates by ultra-high vacuum rf magnetron sputtering. The film growth behavior and the crystallographic properties are studied by reflection high energy electron diffraction and pole figure X-ray diffraction. Metastable hcp-NiFe(11-bar 00) and hcp-NiFe(112-bar 0) crystals respectively nucleate on Cr(211){sub bcc} and Cr(100){sub bcc} underlayers, where the hcp-NiFe crystals are stabilized through hetero-epitaxial growth. The hcp-NiFe(11-bar 00) crystal is a single-crystal with the c-axis parallel to the substrate surface, whereas the hcp-NiFe(112-bar 0) crystal is a bi-crystal with the respective c-axes lying in plane and perpendicular each other. With increasing the film thickness, the hcp structure in the NiFe films starts to transform into more stable fcc structure by atomic displacement parallel to the hcp(0001) close packed plane. The resulting films consist of hcp and fcc crystals.

  13. NiFe epitaxial films with hcp and fcc structures prepared on bcc-Cr underlayers

    International Nuclear Information System (INIS)

    Higuchi, Jumpei; Ohtake, Mitsuru; Sato, Yoichi; Kirino, Fumiyoshi; Futamoto, Masaaki

    2011-01-01

    NiFe epitaxial films are prepared on Cr(211) bcc and Cr(100) bcc underlayers grown hetero-epitaxially on MgO single-crystal substrates by ultra-high vacuum rf magnetron sputtering. The film growth behavior and the crystallographic properties are studied by reflection high energy electron diffraction and pole figure X-ray diffraction. Metastable hcp-NiFe(11-bar 00) and hcp-NiFe(112-bar 0) crystals respectively nucleate on Cr(211) bcc and Cr(100) bcc underlayers, where the hcp-NiFe crystals are stabilized through hetero-epitaxial growth. The hcp-NiFe(11-bar 00) crystal is a single-crystal with the c-axis parallel to the substrate surface, whereas the hcp-NiFe(112-bar 0) crystal is a bi-crystal with the respective c-axes lying in plane and perpendicular each other. With increasing the film thickness, the hcp structure in the NiFe films starts to transform into more stable fcc structure by atomic displacement parallel to the hcp(0001) close packed plane. The resulting films consist of hcp and fcc crystals.

  14. Vacancy formation enthalpies in bcc and fcc FeCo by positron annihilation

    International Nuclear Information System (INIS)

    Jackman, J.A.; Kim, S.M.; Buyers, W.J.L.

    1982-01-01

    A long slit angular correlation apparatus was used to measure the peak coincidence count rate in stoichiometric FeCo from 290 K to 1510 K. The count rate did not change significantly at the order-disorder phase transition (1008 K), but decreased sharply by 3.2% at the bcc-fcc phase transition at 1258 K. The threshold temperatures for the trapping of positrons in vacancies are measured to be 1125 K for the bcc phase and 1260 K for the fcc phase. The vacancy formation enthalpies in the bcc and fcc phases are determined to be 1.45 +- 0.05 eV and 1.63 +- 0.05 eV. The activation energies for self-diffusion have been estimated from the threshold temperatures, and are found to be 2.45 eV and 2.74 eV for the bcc and fcc phases respectively. (Auth.)

  15. Ion irradiation effects on high purity bcc Fe and model FeCr alloys

    International Nuclear Information System (INIS)

    Bhattacharya, Arunodaya

    2014-01-01

    FeCr binary alloys are a simple representative of the reduced activation ferritic/martensitic (F-M) steels, which are currently the most promising candidates as structural materials for the sodium cooled fast reactors (SFR) and future fusion systems. However, the impact of Cr on the evolution of the irradiated microstructure in these materials is not well understood in these materials. Moreover, particularly for fusion applications, the radiation damage scenario is expected to be complicated further by the presence of large quantities of He produced by the nuclear transmutation (∼ 10 appm He/dpa). Within this context, an elaborate ion irradiation study was performed at 500 C on a wide variety of high purity FeCr alloys (with Cr content ranging from ∼ 3 wt.% to 14 wt.%) and a bcc Fe, to probe in detail the influence of Cr and He on the evolution of microstructure. The irradiations were performed using Fe self-ions, in single beam mode and in dual beam mode (damage by Fe ions and co-implantation of He), to separate ballistic damage effect from the impact of simultaneous He injection. Three different dose ranges were studied: high dose (157 dpa, 17 appm He/dpa for the dual beam case), intermediate dose (45 dpa, 57 appm He/dpa for dual beam case) and in-situ low dose (0.33 dpa, 3030 appm He/dpa for the dual beam case). The experiments were performed at the JANNuS triple beam facility and dual beam in situ irradiation facility at CEA-Saclay and CSNSM, Orsay respectively. The microstructure was principally characterized by conventional TEM, APT and EDS in STEM mode. The main results are as follows: 1) A comparison of the cavity microstructure in high dose irradiated Fe revealed strong swelling reduction by the addition of He. It was achieved by a drastic reduction in cavity sizes and an increased number density. This behaviour was observed all along the damage depth, up to the damage peak. 2) Cavity microstructure was also studied in the dual beam high dose

  16. Hydrogen storage performance of Ti-V-based BCC phase alloys with various Fe content

    International Nuclear Information System (INIS)

    Yu, X.B.; Feng, S.L.; Wu, Z.; Xia, B.J.; Xu, N.X.

    2005-01-01

    The effect of Fe content on hydrogen storage characteristics of Ti-10Cr-18Mn-(32-x)V-xFe (x = 0, 2, 3, 4, 5) alloys has been investigated at 353 K. The X-ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images of the alloys present BCC and C14 two-phase structures for all of the Fe-containing alloys. With the increasing Fe content, the lattice parameters of the BCC phase decrease, which results in an increase of the hydrogen desorption plateau pressure of the alloys. Among the studied alloys, Ti-10Cr-18Mn-27V-5Fe alloy exhibits the smallest PCT plateau slope and a more suitable plateau pressure (0.1 MPa equ <1 MPa). The maximum and effective capacities of the alloy are 3.32 wt.% and 2.26 wt.%, respectively, which are higher than other reported Fe-containing BCC phase alloys. In addition, the V/Fe ratio in this alloy is close to that of (VFe) alloy, whose cost is much lower than that of pure V

  17. Ab initio study of Cr interactions with point defects in bcc Fe

    International Nuclear Information System (INIS)

    Olsson, P.; Domain, Ch.; Wallenius, J.

    2008-01-01

    Full text of publication follows. Ferritic martensitic steels are candidate structural materials for fast neutron reactors, and in particular high-Cr reduced-activation steels. In Fe-Cr alloys, Cr plays a major role in the radiation-induced evolution of the mechanical properties. Using ab initio calculations based on density functional theory, the properties of Cr in α-Fe have been investigated. The intrinsic point defect formation energies were found to be larger in model bcc Cr as compared to those in ferromagnetic bcc Fe. The interactions of Cr with point defects (vacancy and self interstitials) have been characterised. Single Cr atoms interact weakly with vacancies but significantly with self-interstitial atoms. Mixed interstitials of any interstitial symmetry are bound. Configurations where two Cr atoms are in nearest neighbour position are generally unfavourable in bcc Fe except when they are a part of a interstitial complex. Mixed interstitials do not have as strong directional stability as pure Fe interstitials have. The effects on the results using the atom description scheme of either the ultrasoft pseudo-potential (USPP) or the projector augmented wave (PAW) formalisms are connected to the differences in local magnetic moments that the two methods predict. As expected for the Fe-Cr system, the results obtained using the PAW method are more reliable than the ones obtained with USPP. (authors)

  18. Hydrogen storage in TiCr1.2(FeV)x BCC solid solutions

    International Nuclear Information System (INIS)

    Santos, Sydney F.; Huot, Jacques

    2009-01-01

    The Ti-V-based BCC solid solutions have been considered attractive candidates for hydrogen storage due to their relatively large hydrogen absorbing capacities near room temperature. In spite of this, improvements of some issues should be achieved to allow the technological applications of these alloys. Higher reversible hydrogen storage capacity, decreasing the hysteresis of PCI curves, and decrease in the cost of the raw materials are needed. In the case of vanadium-rich BCC solid solutions, which usually have large hydrogen storage capacities, the search for raw materials with lower cost is mandatory since pure vanadium is quite expensive. Recently, the substitutions of vanadium in these alloys have been tried and some interesting results were achieved by replacing vanadium by commercial ferrovanadium (FeV) alloy. In the present work, this approach was also adopted and TiCr 1.2 (FeV) x alloy series was investigated. The XRD patterns showed the co-existence of a BCC solid solution and a C14 Laves phase in these alloys. SEM analysis showed the alloys consisted of dendritic microstructure and C14 colonies. The amount of C14 phase increases when the amount of (FeV) decreases in these alloys. Concerning the hydrogen storage, the best results were obtained for the TiCr 1.2 (FeV) 0.4 alloy, which achieved 2.79 mass% of hydrogen storage capacity and 1.36 mass% of reversible hydrogen storage capacity

  19. Electric quadrupole interaction in cubic BCC α-Fe

    Energy Technology Data Exchange (ETDEWEB)

    Błachowski, A.; Komędera, K. [Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, ul. Podchorążych 2, PL-30-084 Kraków (Poland); Ruebenbauer, K., E-mail: sfrueben@cyf-kr.edu.pl [Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, ul. Podchorążych 2, PL-30-084 Kraków (Poland); Cios, G.; Żukrowski, J. [AGH University of Science and Technology, Academic Center for Materials and Nanotechnology, Av. A. Mickiewicza 30, PL-30-059 Kraków (Poland); Górnicki, R. [RENON, ul. Gliniana 15/15, PL-30-732 Kraków (Poland)

    2016-07-15

    Mössbauer transmission spectra for the 14.41-keV resonant line in {sup 57}Fe have been collected at room temperature by using {sup 57}Co(Rh) commercial source and α-Fe strain-free single crystal as an absorber. The absorber was magnetized to saturation in the absorber plane perpendicular to the γ-ray beam axis applying small external magnetic field. Spectra were collected for various orientations of the magnetizing field, the latter lying close to the [110] crystal plane. A positive electric quadrupole coupling constant was found practically independent on the field orientation. One obtains the following value V{sub zz} = +1.61(4) × 10{sup 19} Vm{sup −2} for the (average) principal component of the electric field gradient (EFG) tensor under assumption that the EFG tensor is axially symmetric and the principal axis is aligned with the magnetic hyperfine field acting on the {sup 57}Fe nucleus. The nuclear spectroscopic electric quadrupole moment for the first excited state of the {sup 57}Fe nucleus was adopted as +0.17 b. Similar measurement was performed at room temperature using as-rolled polycrystalline α-Fe foil of high purity in the zero external field. Corresponding value for the principal component of the EFG was found as V{sub zz} = +1.92(4) × 10{sup 19} Vm{sup −2}. Hence, it seems that the origin of the EFG is primarily due to the local (atomic) electronic wave function distortion caused by the spin–orbit interaction between effective electronic spin S and incompletely quenched electronic angular momentum L. It seems as well that the lowest order term proportional to the product L·λ·S dominates, as no direction dependence of the EFG principal component is seen. The lowest order term is isotropic for a cubic symmetry as one has λ=λ 1 for cubic systems with the symbol 1 denoting unit operator and λ being the coupling parameter. - Highlights: • Precision of MS the same as MAPON • Real scans versus magnetization direction • A challenge

  20. Electric quadrupole interaction in cubic BCC α-Fe

    International Nuclear Information System (INIS)

    Błachowski, A.; Komędera, K.; Ruebenbauer, K.; Cios, G.; Żukrowski, J.; Górnicki, R.

    2016-01-01

    Mössbauer transmission spectra for the 14.41-keV resonant line in "5"7Fe have been collected at room temperature by using "5"7Co(Rh) commercial source and α-Fe strain-free single crystal as an absorber. The absorber was magnetized to saturation in the absorber plane perpendicular to the γ-ray beam axis applying small external magnetic field. Spectra were collected for various orientations of the magnetizing field, the latter lying close to the [110] crystal plane. A positive electric quadrupole coupling constant was found practically independent on the field orientation. One obtains the following value V_z_z = +1.61(4) × 10"1"9 Vm"−"2 for the (average) principal component of the electric field gradient (EFG) tensor under assumption that the EFG tensor is axially symmetric and the principal axis is aligned with the magnetic hyperfine field acting on the "5"7Fe nucleus. The nuclear spectroscopic electric quadrupole moment for the first excited state of the "5"7Fe nucleus was adopted as +0.17 b. Similar measurement was performed at room temperature using as-rolled polycrystalline α-Fe foil of high purity in the zero external field. Corresponding value for the principal component of the EFG was found as V_z_z = +1.92(4) × 10"1"9 Vm"−"2. Hence, it seems that the origin of the EFG is primarily due to the local (atomic) electronic wave function distortion caused by the spin–orbit interaction between effective electronic spin S and incompletely quenched electronic angular momentum L. It seems as well that the lowest order term proportional to the product L·λ·S dominates, as no direction dependence of the EFG principal component is seen. The lowest order term is isotropic for a cubic symmetry as one has λ=λ 1 for cubic systems with the symbol 1 denoting unit operator and λ being the coupling parameter. - Highlights: • Precision of MS the same as MAPON • Real scans versus magnetization direction • A challenge for ab initio calculations

  1. Structural transformation in mechanosynthesized bcc Fe-Al-Si(Ge) solid solutions during heating

    International Nuclear Information System (INIS)

    Kubalova, L.M.; Sviridov, I.A.; Vasilyeva, O.Ya.; Fadeeva, V.I.

    2007-01-01

    X-ray diffractometry and Moessbauer spectroscopy study of Fe 50 Al 25 Si 25 and Fe 50 Al 25 Ge 25 alloys obtained by mechanical alloying (MA) of elementary powders was carried out. Phase transformation during heating of synthesized products was studied using differential scanning calorimetry (DSC). After 2.5 h of MA monophase alloys containing bcc Fe(Al, Ge) solid solutions Fe(Al, Si) are formed. Fe(Al, Si) is partially ordered B2 type and Fe(Al, Ge) is completely disordered. DSC curves of synthesized alloys displayed the presence of exothermal peaks caused by phase transformation. The metastable Fe(Al, Si) solid solution transformed into FeAl 1-x Si x (B2) and FeSi 1-x Al x (B20) equilibrium phases. The Fe(Al, Ge) solid solution transformed into equilibrium phases through intermediate stage of Fe 6 Ge 3 Al 2 metastable phase formation. The Fe 6 Ge 3 Al 2 phase dissociated into three equilibrium phases: FeAl 1-x Ge x (B2), χ-Fe 6 Ge 5 and η-Fe 13 (Ge, Al) 8 (B8 2 ). The structure of Fe 6 Ge 3 Al 2 was calculated by Rietveld method, the distribution of Al and Ge in the elementary cell and its parameters were calculated. Moessbauer study showed that Fe(Al, Si) and Fe(Al, Ge) solid solutions are paramagnetic. In the equilibrium state the alloy containing Si is also paramagnetic while the alloy with Ge showed ferromagnetic properties

  2. Short-range order clustering in BCC Fe-Mn alloys induced by severe plastic deformation

    Science.gov (United States)

    Shabashov, V. A.; Kozlov, K. A.; Sagaradze, V. V.; Nikolaev, A. L.; Lyashkov, K. A.; Semyonkin, V. A.; Voronin, V. I.

    2018-03-01

    The effect of severe plastic deformation, namely, high-pressure torsion (HPT) at different temperatures and ball milling (BM) at different time intervals, has been investigated by means of Mössbauer spectroscopy in Fe100-xMnx (x = 4.1, 6.8, 9) alloys. Deformation affects the short-range clustering (SRC) in BCC lattice. Two processes occur: destruction of SRC by moving dislocations and enhancement of the SRC by migration of non-equilibrium defects. Destruction of SRC prevails during HPT at 80-293 K; whereas enhancement of SRC dominates at 473-573 K. BM starts enhancing the SRC formation at as low as 293 K due to local heating at impacts. The efficiency of HPT in terms of enhancing SRC increases with increasing temperature. The authors suppose that at low temperatures, a significant fraction of vacancies are excluded from enhancing SRC because of formation of mobile bi- and tri-vacancies having low efficiency of enhancing SRC as compared to that of mono vacancies. Milling of BCC Fe100-xMnx alloys stabilises the BCC phase with respect to α → γ transition at subsequent isothermal annealing because of a high degree of work hardening and formation of composition inhomogeneity.

  3. Vibrational contribution to the thermodynamics of nanosized precipitates: vacancy-copper clusters in bcc-Fe

    International Nuclear Information System (INIS)

    Talati, Mina; Posselt, Matthias; Al-Motasem, Ahmed; Bergner, Frank; Bonny, Giovanni

    2012-01-01

    The effects of lattice vibration on the thermodynamics of nanosized coherent clusters in bcc-Fe consisting of vacancies and/or copper are investigated within the harmonic approximation. A combination of on-lattice simulated annealing based on Metropolis Monte Carlo simulations and off-lattice relaxation by molecular dynamics is applied to obtain the most stable cluster configurations at T = 0 K. The most recent interatomic potential built within the framework of the embedded-atom method for the Fe-Cu system is used. The total free energy of pure bcc-Fe and fcc-Cu as well as the total formation free energy and the total binding free energy of the vacancy-copper clusters are determined for finite temperatures. Our results are compared with the available data from previous investigations performed using many-body interatomic potentials and first-principles methods. For further applications in rate theory and object kinetic Monte Carlo simulations, the vibrational effects evaluated in the present study are included in the previously developed analytical fitting formulae. (paper)

  4. Abnormal Strain Rate Sensitivity Driven by a Unit Dislocation-Obstacle Interaction in bcc Fe

    Science.gov (United States)

    Bai, Zhitong; Fan, Yue

    2018-03-01

    The interaction between an edge dislocation and a sessile vacancy cluster in bcc Fe is investigated over a wide range of strain rates from 108 down to 103 s-1 , which is enabled by employing an energy landscape-based atomistic modeling algorithm. It is observed that, at low strain rates regime less than 105 s-1 , such interaction leads to a surprising negative strain rate sensitivity behavior because of the different intermediate microstructures emerged under the complex interplays between thermal activation and applied strain rate. Implications of our findings regarding the previously established global diffusion model are also discussed.

  5. Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment.

    Science.gov (United States)

    Körmann, F; Grabowski, B; Dutta, B; Hickel, T; Mauger, L; Fultz, B; Neugebauer, J

    2014-10-17

    An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro- and paramagnetic limits.

  6. Photoelectron diffraction of magnetic ultrathin films: Fe/Cu(001)

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J.G. (Lawrence Livermore National Lab., CA (USA)); Wagner, M.K. (Wisconsin Univ., Madison, WI (USA). Dept. of Chemistry); Guo, X.Q.; Tong, S.Y. (Wisconsin Univ., Milwaukee, WI (USA). Dept. of Physics)

    1991-01-03

    The preliminary results of an ongoing investigation of Fe/Cu(001) are presented here. Energy dependent photoelectron diffraction, including the spin-dependent variant using the multiplet split Fe3s state, is being used to investigate the nanoscale structures formed by near-monolayer deposits of Fe onto Cu(001). Core-level photoemission from the Fe3p and Fe3s states has been generated using synchrotron radiation as the tunable excitation source. Tentatively, a comparison of the experimental Fe3p cross section measurements with multiple scattering calculations indicates that the Fe is in a fourfold hollow site with a spacing of 3.6{Angstrom} between it and the atom directly beneath it, in the third layer. This is consistent with an FCC structure. The possibility of utilizing spin-dependent photoelectron diffraction to investigate magnetic ultrathin films will be demonstrated, using our preliminary spectra of the multiplet-split Fe3s os near-monolayer Fe/Cu(001). 18 refs., 10 figs.

  7. Phase diagram of Fe1-xCox ultrathin film

    International Nuclear Information System (INIS)

    Fridman, Yu.A.; Klevets, Ph.N.; Voytenko, A.P.

    2008-01-01

    Concentration-driven reorientation phase transitions in ultrathin magnetic films of FeCo alloy have been studied. It is established that, in addition to the easy-axis and easy-plane phases, a spatially inhomogeneous phase (domain structure), a canted phase, and also an 'in-plane easy-axis' phase can exist in the system. The realization of the last phase is associated with the competition between the single-ion anisotropy and the magnetoelastic interaction. The critical values of Co concentration corresponding to the phase transitions are evaluated, the types of phase transitions are determined, and the phase diagrams are constructed

  8. Compositional Variation of the Phonon Dispersion Curves of bcc Fe-Ga Alloys

    International Nuclear Information System (INIS)

    Zarestky, Jerel L.; Garlea, Vasile O.; Lograsso, Tom; Schlagel, D.L.; Stassis, C.

    2005-01-01

    Inelastic neutron scattering techniques have been used to measure the phonon dispersion curves of bcc Fe1-xGax x=10.8, 13.3, 16.0, 22.5 alloys as a function of Ga concentration. The phonon frequencies of every branch were found to decrease significantly with increasing Ga concentration. The softening was most pronounced for the T2 0 branch and, to a lesser extent, the L branch in the vicinity of = 2 3. The concentration dependence of the shear elastic constant C =1/2 C11-C12 , calculated from the slope of the T2 0 branch, was found to agree with the results of sound velocity measurements. For the higher concentration sample measured, 22.5 at. % Ga, new branches appeared, an effect associated with the increase in the number of atoms per unit cell.

  9. The electronic structure and bonding of a H-H pair in the vicinity of a BCC Fe bulk vacancy

    Energy Technology Data Exchange (ETDEWEB)

    Juan, A.; Pistonesi, C.; Brizuela, G. [Universidad Nacional del Sur, Bahia Blanca (Argentina). Departamento de Fisica; Garcia, A.J. [Universidad Nacional del Sur, Bahia Blanca (Argentina). Departamento de Ciencias de la Computacion

    2003-09-01

    The H-Fe interaction near a bcc Fe vacancy is analysed using a semi-empirical theoretical method. Calculations were performed using a Fe{sub 86} cluster with a vacancy. Hydrogen atoms are positioned in their local energy minima configurations. Changes in the electronic structure of Fe atoms near a vacancy were analysed for the system without H, with one H and with two H atoms. Fe atoms surrounding the vacancy weaken their bond when hydrogen is present. This is due to the formation of H-Fe bonds. Hydrogen influences only its nearest-neighbour Fe atoms. The H-H interaction was also analysed. For H-H distance of 0.82 Angstrom an H-H association is formed, while H-Fe interaction and Fe-Fe weakening is markedly reduced, when compared with other H-H interactions. (author)

  10. Quantum-well states and induced magnetism in Fe/CuN/Fe bcc (001) trilayers

    DEFF Research Database (Denmark)

    Niklasson, A.M.N.; Mirbt, S.; Skriver, Hans Lomholt

    1996-01-01

    profiles of two single Fe/Cu interfaces. The small deviations from this simple superposition are shown to be a consequence of quantum-well states confined within the paramagnetic spacer. This connection is confirmed by direct calculation of the state density. The results are of conceptual interest...

  11. Nanoclusters in bcc-Fe containing vacancies, copper and nickel: Structure and energetics

    International Nuclear Information System (INIS)

    Al-Motasem, A.T.; Posselt, M.; Bergner, F.

    2011-01-01

    Highlights: → Fe-Cu-Ni model alloys for RPV steels. → Atomistic simulation, mainly MMC and MD simulations. → Finding the most stable configurations of defect clusters. → Energetics of clusters, formation and binding energies. → Size dependence of monomer binding energy formula as input for OKMC methods. - Abstract: The most stable atomic configuration of coherent nanoclusters in bcc-Fe formed by vacancies, Cu and Ni as well as the corresponding energetics are determined by on-lattice simulated annealing and subsequent off-lattice relaxation. An interatomic potential recently designed for investigations of radiation-induced effects in the ternary Fe-Cu-Ni system is used in the atomistic simulations. Ternary v l Cu m Ni n clusters show a core-shell structure with vacancies in the core coated by a shell of Cu atoms, followed by a shell of Ni atoms. In binary Cu m Ni n clusters the Cu core is covered by a shell of Ni atoms. On the contrary, binary v l Ni n clusters consist of a pure vacancy cluster surrounded by an agglomeration of Ni atoms. The latter is similar to a pure Ni cluster (Ni n ) and consists of Ni atoms at the second nearest neighbor distance. Because of this special arrangement of atoms v l Ni n and Ni n are also called quasi-clusters. In all clusters investigated Ni atoms may be nearest neighbors of Cu atoms but never nearest neighbors of vacancies or other Ni atoms. The atomic configurations found can be understood by the peculiarities of the binding between vacancies, Cu, Ni and Fe atoms. The structure obtained for Cu m Ni n clusters is in agreement with previous theoretical results and with indications from measurements while for the other clusters reference data are not available. It is shown that the presence of Ni atoms promotes the nucleation of clusters containing vacancies and Cu. This is in agreement with experimental observations and with recent results of atomic kinetic Monte Carlo simulations. Based on the specific atomic structure

  12. Comparison of interface structure of BCC metallic (Fe, V and Nb) films on MgO (100) substrate

    Energy Technology Data Exchange (ETDEWEB)

    Du, J.L. [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Zhang, L.Y. [State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an, 710049 (China); Fu, E.G., E-mail: efu@pku.edu.cn [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Ding, X., E-mail: dingxd@mail.xjtu.edu.cn [State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an, 710049 (China); Yu, K.Y., E-mail: kyyu@cup.edu.cn [Department of Materials Science and Engineering, China University of Petroleum, Beijing 102249 (China); Wang, Y.G. [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Wang, Y.Q.; Baldwin, J.K. [Experimental Physical Sciences Directorate, Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Wang, X.J. [State Key Laboratory of Advanced Optical Communication Systems and Networks, Peking University, Beijing 100871 (China); Xu, P. [Department of Chemistry, Harbin Institute of Technology, Harbin, Heilongjiang, 150001 (China)

    2017-07-15

    Highlights: • The difference of BCC metal/MgO(100) interface configuration with various lattice mismatches is identified by experiments and simulations in terms of dislocations and work of separation. • The strength of bonds along interface is found to be the fundamental factor to determine the interface configurations between BCC metal and MgO substrate. • The combination of experiments and simulations shows that the O-atop model is the actual match type between BCC metal and MgO substrate. - Abstract: This study systematically investigates the interface structure of three body-centered-cubic (BCC) metallic (Fe, V and Nb) films grown on MgO(100) substrates through experiments and simulations. Orientation relationships of their interfaces with the different lattice mismatches exhibit cube-on-cube configurations. The misfit dislocations at these three interfaces exhibit different characteristics. High resolution TEM (HRTEM), combined with first principle calculations, demonstrates the O-atop match type between metal atoms and MgO substrates for the first time. The fundamental mechanism in determining the interface configuration is discussed in terms of the work of separation and delocalization of atomic charge density.

  13. Anisotropy migration of self-point defects in dislocation stress fields in BCC Fe and FCC Cu

    International Nuclear Information System (INIS)

    Sivak, A.B.; Chernov, V.M.; Dubasova, N.A.; Romanov, V.A.

    2007-01-01

    Spatial dependence of the interaction energies of self-point defects (vacancies and self interstitial atoms in stable, metastable and saddle point configurations) with edge dislocations in slip systems {1 1 0} and {1 0 0} in BCC Fe and {1 1 1} in FCC Cu was calculated using the anisotropic theory of elasticity and molecular statics (hybrid method). The migration pathways of vacancies and SIA ( dumbbell in Fe and dumbbell in Cu) along which the migration of the defects with the lowest energy barriers were defined in the presence of the dislocation stress fields. These pathways are significantly different in the stress fields of dislocations

  14. Point defects in B.C.C. Fe-Al, Fe-Co, and Fe-Co-V ordered alloys

    International Nuclear Information System (INIS)

    Riviere, J.P.; Dinhut, J.F.

    1982-01-01

    Radiation damage produced at 20 K by 2.5 MeV electrons is studied in three B 2 type Fe-40 at % Al, Fe-Co, Fe-Co-V ordered alloys. The resistivity damage in Fe-40 at % Al ordered single crystals is found less effective in the directions. The results suggest that replacement collision chains are difficult to propagate along the direction. Frenkel pair creation superimposed with disordering can account for the resistivity damage in the initially ordered Fe-Co alloy. Informations concerning replacement collision sequences in direction are derived. During the recovery of all the alloys, three main stages are observed and an ordering enhancement occurs. (author)

  15. Magnetic properties of metastable bcc and fcc Fe-Cu alloys produced by vapor quenching

    International Nuclear Information System (INIS)

    Sumiyama, Kenji; Yoshitake, Tsutomu; Nakamura, Yoji

    1984-01-01

    High concentration Fesub(1-x)Cusub(x) alloys have been obtained by rf sputtering technique and investigated by X-ray diffraction and magnetization measurements. The bcc phase is extended over the region with x=0-0.4, while the fcc phase with x=0.6-1.0. For x=0.4-0.6, we have the mixed phase of bcc and fcc. The lattice constant of bcc phase increases slightly and that of fcc phase decreases with increasing x. In the bcc alloys, the average magnetic moment decreases with increasing x and deviates upwards from the simple dilution law. In the fcc alloys, the magnetic moment also decreases with increasing x but it deviates downwards from the simple dilution law. The Curie temperature, Tsub(c), of the Fesub(1-x)Cusub(x) alloys decreases abruptly with increasing x: Tsub(c) is higher than 750 K for the bcc alloys, while it is lower than 320 K for the fcc alloys and become 0 K at about x=0.92. (author)

  16. Magnetic x-ray linear dichroism of ultrathin Fe-Ni alloy films

    Energy Technology Data Exchange (ETDEWEB)

    Schumann, F.O.; Willis, R.F. [Pennsylvania State Univ., University Park, PA (United States); Goodman, K.W. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The authors have studied the magnetic structure of ultrathin Fe-Ni alloy films as a function of Fe concentration by measuring the linear dichroism of the 3p-core levels in angle-resolved photoemission spectroscopy. The alloy films, grown by molecular-beam epitaxy on Cu(001) surfaces, were fcc and approximately four monolayers thick. The intensity of the Fe dichroism varied with Fe concentration, with larger dichroisms at lower Fe concentrations. The implication of these results to an ultrathin film analogue of the bulk Invar effect in Fe-Ni alloys will be discussed. These measurements were performed at the Spectromicroscopy Facility (Beamline 7.0.1) of the Advanced Light Source.

  17. Patterned FePt nanostructures using ultrathin self-organized templates

    Science.gov (United States)

    Deng, Chen Hua; Zhang, Min; Wang, Fang; Xu, Xiao Hong

    2018-02-01

    Patterned magnetic thin films are both scientifically interesting and technologically useful. Ultrathin self-organized anodic aluminum oxide (AAO) template can be used to fabricate large area nanodot and antidot arrays. The magnetic properties of these nanostructures may be tuned by the morphology of the AAO template, which in turn can be controlled by synthetic parameters. In this work, ultrathin AAO templates were used as etching masks for the fabrication of both FePt nanodot and antidot arrays with high areal density. The perpendicular magnetic anisotropy of L10 FePt thin films are preserved in the nanostructures.

  18. About oxide dispersion particles chemical compatibility with areas coherent dissipation/sub-grains of bcc-alloys in Fe - (Cr, V, Mo, W systems

    Directory of Open Access Journals (Sweden)

    Udovsky A.

    2016-01-01

    Full Text Available A concept of partial magnetic moments (PMM of the iron atoms located in the first ч four coordination spheres (1÷4 CS for bcc lattice have been introduced based on analysis of results obtained by quantum-mechanical calculations (QMC for volume dependence of the average magnetic moment ferromagnetic (FM Fe. The values of these moments have been calculated for pure bcc Fe and bcc - Fe-Cr alloys. This concept has been used to formulate a three sub-lattice model for binary FM alloys of the Fe-M systems (M is an alloying paramagnetic element. Physical reason for sign change dependence of the short-range order and mixing enthalpy obtained by QMCs for Fe-(Cr, V bcc phases has been found. Using this model it has been predicted that static displacements of Fe - atoms in alloy matrix increase with increasing the of CS number and result in reducing of the area of coherent dissipation (ACD size with growth of the dimension factor (DF in the Fe-(Cr, V, Mo, W systems in agreement with the X-ray experiments. It has been shown theoretically that anisotropy of spin- density in bcc lattice Fe and DF in binary Fe - (Cr, V, Mo, W systems is main factor for origins of segregations on small angle boundaries of ACD and sub-grains boundaries To prevent the coagulation of both ACD and sub-grains, and to increase the strength of alloys, it is advisable to add oxide dispersion particles into ferrite steel taking into account their chemical compatibility and coherent interfacing with the crystalline lattice of a ferrite matrix. Application of phase diagrams for binary and ternary the Fe-(Y, Zr-O systems to verify chemical compatibility of oxide dispersion particles with ferrite matrix have been discussed

  19. Elemental moment variation of bcc Fe{sub x}Mn{sub 1−x} on MgO(001)

    Energy Technology Data Exchange (ETDEWEB)

    Bhatkar, H.; Snow, R.J. [Department of Physics, Montana State University, Bozeman, MT 59717 (United States); Arenholz, E. [Advanced Light Source, Lawrence Berkeley National Laboratories, Berkeley, CA 94720 (United States); Idzerda, Y.U., E-mail: idzerda@montana.edu [Department of Physics, Montana State University, Bozeman, MT 59717 (United States)

    2017-02-01

    We report the growth, structural characterization, and electronic structure evolution of epitaxially grown bcc Fe{sub x}Mn{sub 1−x} on MgO(001). It is observed that the 20 nm thick Fe{sub x}Mn{sub 1−x} alloy films remained bcc from 0.65≤x≤1, much beyond the bulk stability range of 0.88≤x≤1. X-ray absorption spectroscopy and X-ray magnetic circular dichroism show that both the Fe and Mn L{sub 3} binding energies slightly increase with Mn incorporation and that the elemental moment of Fe in the 20 nm crystalline bcc alloy film remain nearly constant, then shows a dramatic collapse near x~0.84. The Mn MCD intensity is found to be small at all compositions that exhibit ferromagnetism - Highlights: • Bcc Fe{sub x}Mn{sub 1−x} films were stabilized beyond bulk range by epitaxial growth on MgO. • XMCD shows negligible moment in Mn regardless of composition. • Fe moment stays constant until 84% Mn concentration. • Magnetic moment suddenly collapses before any structural change seen in RHEED.

  20. Cr interaction in the formation of nano cluster of Y, Ti and O in bcc Fe an ab initio study

    International Nuclear Information System (INIS)

    Murali, D.; Panigrahi, B.K.; Valsakumar, M.C.; Chandra, Sharath; Sundar, C.S.

    2008-01-01

    Nanostructured ferritic alloys containing highly stable fine dispersion of yttrium oxide nano particles, produced by mechanical alloying, are promising structural materials for fast fission and fusion environments. Formation of Cr depleted and O enriched Y-Ti-O nanoclusters are observed in the atom probe analysis. Ab initio calculations based on density functional theory are carried out to understand the role of Cr atom interactions with other solute atoms (Y, Ti, O) and vacancies in the formation of nanocluster. The binding energy of clusters of Y-Ti-O in bcc Fe is found to be very high in the presence of vacancies. Our calculations are consistent with the atom probe observation of depletion of Cr atoms and enrichment of O atoms in the nanoclusters. (author)

  1. The glide of screw dislocations in bcc Fe: Atomistic static and dynamic simulations

    International Nuclear Information System (INIS)

    Chaussidon, Julien; Fivel, Marc; Rodney, David

    2006-01-01

    We present atomic-scale simulations of screw dislocation glide in bcc iron. Using two interatomic potentials that, respectively, predict degenerate and non-degenerate core structures, we compute the static 0 K dependence of the screw dislocation Peierls stress on crystal orientation and show strong boundary condition effects related to the generation of non-glide stress components. At finite temperatures we show that, with a non-degenerate core, glide by nucleation/propagation of kink-pairs in a {1 1 0} glide plane is obtained at low temperatures. A transition in the twinning region, towards an average {1 1 2} glide plane, with the formation of debris loops is observed at higher temperatures

  2. Ab initio calculation of the bcc Fe-Al phase diagram including magnetic interactions

    International Nuclear Information System (INIS)

    Gonzales-Ormeno, Pablo Guillermo; Petrilli, Helena Maria; Schoen, Claudio Geraldo

    2006-01-01

    The metastable phase diagram of the body-centered cubic-based ordering equilibria in the Fe-Al system has been calculated by the cluster expansion method, through the combination of the full potential-linear augmented plane wave and cluster variation methods. The results are discussed with reference to the effect of including the spin polarizations of Fe in the thermodynamic model

  3. Observation of second spin reorientation transition within ultrathin region in Fe films on Ag(001) surface

    International Nuclear Information System (INIS)

    Khim, T.-Y.; Shin, M.; Lee, H.; Park, B.-G.; Park, J.-H.

    2014-01-01

    We acquired direct measurements for in-plane and perpendicular-to-plane magnetic moments of Fe films using an x-ray magnetic circular dichroism technique with increase of the Fe thickness (up to 40 Å) on the Ag(001) surface. Epitaxial Fe/Ag(001) films were grown in situ with the thickness varying from 2 Å to 40 Å, and the magnetic anisotropy was carefully investigated as a function of the film thickness. We found re-entrance of the in-plane magnetic anisotropy of the Fe film in ultrathin region. The results manifest that the epitaxial Fe/Ag(001) film undergoes two distinct spin reorientation transitions from in-plane to out-of-plane at the film thickness t ≈ 9 Å and back to in-plane at t ≈ 18 Å as t increases.

  4. Effects of Interfaces on the Structure and Novel Physical Properties in Epitaxial Multiferroic BiFeO3 Ultrathin Films

    Directory of Open Access Journals (Sweden)

    Chuanwei Huang

    2014-07-01

    Full Text Available In functional oxide films, different electrical/mechanical boundaries near film surfaces induce rich phase diagrams and exotic phenomena. In this paper, we review some key points which underpin structure, phase transition and related properties in BiFeO3 ultrathin films. Compared with the bulk counterparts, we survey the recent results of epitaxial BiFeO3 ultrathin films to illustrate how the atomic structure and phase are markedly influenced by the interface between the film and the substrate, and to emphasize the roles of misfit strain and depolarization field on determining the domain patterns, phase transformation and associated physical properties of BiFeO3 ultrathin films, such as polarization, piezoelectricity, and magnetism. One of the obvious consequences of the misfit strain on BiFeO3 ultrathin films is the emergence of a sequence of phase transition from tetragonal to mixed tetragonal & rhombohedral, the rhombohedral, mixed rhombohedral & orthorhombic, and finally orthorhombic phases. Other striking features of this system are the stable domain patterns and the crossover of 71° and 109° domains with different electrical boundary conditions on the film surface, which can be controlled and manipulated through the depolarization field. The external field-sensitive enhancements of properties for BiFeO3 ultrathin films, including the polarization, magnetism and morphotropic phase boundary-relevant piezoelectric response, offer us deeper insights into the investigations of the emergent properties and phenomena of epitaxial ultrathin films under various mechanical/electrical constraints. Finally, we briefly summarize the recent progress and list open questions for future study on BiFeO3 ultrathin films.

  5. Multi-scale Modelling of bcc-Fe Based Alloys for Nuclear Applications

    International Nuclear Information System (INIS)

    Malerba, Lorenzo

    2008-01-01

    Understanding the basic mechanisms that determine microstructure changes in neutron irradiated steels is vital for a safe lifetime management of existing nuclear reactors and a safe design of future nuclear options. Low-alloyed ferritic steels containing Cu, Ni, Mn and Si as principal solute atoms are used as structural materials for current reactor vessels. The microstructural evolution under irradiation in alloys is decided by the interplay between defect formation and thermodynamic driving forces, together determining the appearance of phase transformations (precipitation, segregation,...) and favouring or delaying the nucleation and growth of point-defect clusters, their diffusion and their mutual recombination or removal at sinks. A reliable description of the production, evolution and accumulation of radiation damage must therefore start from the atomic level and requires being able to describe multicomponent systems for timescales ranging from few picoseconds to years. This goal demands firstly the fabrication of interatomic potentials for alloys that must be both consistent with the thermodynamic properties of the system and capable of reproducing correctly the characteristic solute-point defect interactions, versus ab initio or experimental data. Secondly the performance of extensive molecular dynamics (MD) simulations, to grasp the main mechanisms of defect production, diffusion, mutual interaction, and interaction with solute atoms and impurities. Thirdly, the development of simulation tools capable of describing the microstructure evolution beyond the time-frame and length-scale of MD, while reproducing as much as possible the atomic-level origin of the mechanisms governing the evolution of the system, including phase changes. In this presentation the results of recent efforts made in this direction in the case of Fe-Cu, Fe-Cr and Fe-Ni alloys, as basic model alloys for the description of steels of technological relevance, are highlighted. In particular

  6. Phase diagram of Fe{sub 1-x}Co{sub x} ultrathin film

    Energy Technology Data Exchange (ETDEWEB)

    Fridman, Yu.A. [V.I. Vernadskiy Taurida National University, Vernadskiy Avenue 4, Simferopol, Crimea 95007 (Ukraine)], E-mail: frid@tnu.crimea.ua; Klevets, Ph.N.; Voytenko, A.P. [V.I. Vernadskiy Taurida National University, Vernadskiy Avenue 4, Simferopol, Crimea 95007 (Ukraine)

    2008-12-15

    Concentration-driven reorientation phase transitions in ultrathin magnetic films of FeCo alloy have been studied. It is established that, in addition to the easy-axis and easy-plane phases, a spatially inhomogeneous phase (domain structure), a canted phase, and also an 'in-plane easy-axis' phase can exist in the system. The realization of the last phase is associated with the competition between the single-ion anisotropy and the magnetoelastic interaction. The critical values of Co concentration corresponding to the phase transitions are evaluated, the types of phase transitions are determined, and the phase diagrams are constructed.

  7. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe(110) surface

    International Nuclear Information System (INIS)

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-01-01

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C 2 H 2 molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C 2 H 2 molecules. The most stable site for C 2 H 2 on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C 2 H 2 molecule, the barrier height energies for the C atom, C 2 -dimer and CH as well as the C 2 H 2 molecule are estimated using the nudged elastic band method. The barrier height energy for C 2 H 2 is 0.71 eV and this indicates that the C 2 H 2 diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C 2 H 2 on Fe. The first step is the dissociation of C 2 H 2 into C 2 H and H, and the second step is that of C 2 H into C 2 and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C 2 H 2 into C 2 H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C 2 H 2 . The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C 2 H 2 which characterizes the beginning of the formation of the graphene.

  8. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

    Science.gov (United States)

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-09-29

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.

  9. Spin-polarized electron tunneling in bcc FeCo/MgO/FeCo(001) magnetic tunnel junctions.

    Science.gov (United States)

    Bonell, F; Hauet, T; Andrieu, S; Bertran, F; Le Fèvre, P; Calmels, L; Tejeda, A; Montaigne, F; Warot-Fonrose, B; Belhadji, B; Nicolaou, A; Taleb-Ibrahimi, A

    2012-04-27

    In combining spin- and symmetry-resolved photoemission, magnetotransport measurements and ab initio calculations we detangled the electronic states involved in the electronic transport in Fe(1-x)Co(x)(001)/MgO/Fe(1-x)Co(x)(001) magnetic tunnel junctions. Contrary to previous theoretical predictions, we observe a large reduction in TMR (from 530 to 200% at 20 K) for Co content above 25 atomic% as well as anomalies in the conductance curves. We demonstrate that these unexpected behaviors originate from a minority spin state with Δ(1) symmetry that exists below the Fermi level for high Co concentration. Using angle-resolved photoemission, this state is shown to be a two-dimensional state that occurs at both Fe(1-x)Co(x)(001) free surface, and more importantly at the interface with MgO. The combination of this interface state with the peculiar density of empty states due to chemical disorder allows us to describe in details the complex conduction behavior in this system.

  10. Work function mediated by deposition of ultrathin polar FeO on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu, E-mail: gycao@wipm.ac.cn

    2017-01-15

    Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

  11. Work function mediated by deposition of ultrathin polar FeO on Pt(111)

    International Nuclear Information System (INIS)

    Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu

    2017-01-01

    Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

  12. ''Cube-on-hexagon'' orientation relationship for Fe on GaN(0001): The missing link in bcc/hcp epitaxy

    International Nuclear Information System (INIS)

    Gao Cunxu; Brandt, Oliver; Laehnemann, Jonas; Jahn, Uwe; Jenichen, Bernd; Schoenherr, Hans-Peter; Erwin, Steven C.

    2010-01-01

    We investigate, experimentally and theoretically, the epitaxy of body-centered-cubic Fe on hexagonal GaN. For growth on the Ga-polar GaN(0001) surface we find the well-known Pitsch-Schrader orientation relationship between Fe and GaN. On the N-polar GaN(0001) surface we observe coexistence between the familiar Burgers orientation and a new orientation in which the Fe(001) plane is parallel to GaN(0001). This 'cube-on-hexagon' orientation constitutes the high-symmetry link required for constructing a symmetry diagram for bcc/hcp systems in which all orientation relationships are connected by simple rotations.

  13. Temperature dependence of magnetic anisotropies in ultrathin Fe film on vicinal Si(111)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yong-Sheng; He, Wei; Ye, Jun; Hu, Bo; Tang, Jin; Zhang, Xiang-Qun [State Key Laboratory of Magnetism and Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Cheng, Zhao-Hua, E-mail: zhcheng@aphy.iphy.ac.cn [State Key Laboratory of Magnetism and Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100190 (China)

    2017-05-01

    The temperature dependence of magnetic anisotropy of ultrathin Fe film with different thickness epitaxially grown on vicinal Si(111) substrate has been quantitatively investigated using the anisotropic magnetoresistance(AMR) measurements. Due to the effect of the vicinal substrate, the magnetic anisotropy is the superposition of a four-fold, a two-fold and a weakly six-fold contribution. It is found that the temperature dependence of the first-order magnetocrystalline anisotropies coefficient follows power laws of the reduced magnetization m(T)(=M(T)/M(0)) being consistent with the Callen and Callen's theory. However the temperature dependence of uniaxial magnetic anisotropy (UMA) shows novel behavior that decreases roughly as a function of temperature with different power law for samples with different thickness. We also found that the six-fold magnetocrystalline anisotropy is almost invariable over a wide temperature range. Possible mechanisms leading to the different exponents are discussed.

  14. Epitaxial growth of bcc-Fe{sub x}Co{sub 100-x} thin films on MgO(1 1 0) single-crystal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.j [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Nishiyama, Tsutomu; Shikada, Kouhei [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2010-07-15

    Fe{sub x}Co{sub 100-x} (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe{sub x}Co{sub 100-x} film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe{sub x}Co{sub 100-x} crystals with very small errors less than +-0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe{sub 50}Co{sub 50}/MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  15. Thickness-dependent coherent phonon frequency in ultrathin FeSe/SrTiO3 films

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shuolong [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Sobota, Jonathan A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Leuenberger, Dominik [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Kemper, Alexander F. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Lee, James J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Schmitt, Felix T. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Li, Wei [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Moore, Rob G. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Kirchmann, Patrick S. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Shen, Zhi -Xun [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)

    2015-06-01

    Ultrathin FeSe films grown on SrTiO3 substrates are a recent milestone in atomic material engineering due to their important role in understanding unconventional superconductivity in Fe-based materials. By using femtosecond time- and angle-resolved photoelectron spectroscopy, we study phonon frequencies in ultrathin FeSe/SrTiO3 films grown by molecular beam epitaxy. After optical excitation, we observe periodic modulations of the photoelectron spectrum as a function of pump–probe delay for 1-unit-cell, 3-unit-cell, and 60-unit-cell thick FeSe films. The frequencies of the coherent intensity oscillations increase from 5.00 ± 0.02 to 5.25 ± 0.02 THz with increasing film thickness. By comparing with previous works, we attribute this mode to the Se A1g phonon. The dominant mechanism for the phonon softening in 1-unit-cell thick FeSe films is a substrate-induced lattice strain. Results demonstrate an abrupt phonon renormalization due to a lattice mismatch between the ultrathin film and the substrate.

  16. Ultrathin NiO/NiFe2O4 Nanoplates Decorated Graphene Nanosheets with Enhanced Lithium Storage Properties

    International Nuclear Information System (INIS)

    Du, Dejian; Yue, Wenbo; Fan, Xialu; Tang, Kun; Yang, Xiaojing

    2016-01-01

    Highlights: • Ultrathin NiO/NiFe 2 O 4 nanoplates derived from NiFe layered double hydroxides are fabricated on the graphene. • NiO/NiFe 2 O 4 nanoplates on the graphene show superior electrochemical performance compared to pure NiO/NiFe 2 O 4 aggregates. • The effects of the content and the particle size/component of NiO/NiFe 2 O 4 on the electrochemical performances are studied. • Graphene-encapsulated NiO/NiFe 2 O 4 is prepared and shows slightly decreased performance compared to graphene-based composite. - Abstract: As anode materials for lithium-ion batteries, bicomponent metal oxide composites show high reversible capacities; but the morphology and particle size of the composites are hardly controllable, which may reduce their electrochemical properties. In this work, ultrathin NiO/NiFe 2 O 4 nanoplates with a diameter of 5 ∼ 7 nm and a thickness of ∼2 nm are controllably fabricated on the graphene derived from NiFe layered double hydroxides (NiFe-LDHs), and exhibit superior electrochemical performance compared to pure NiO/NiFe 2 O 4 aggregates without graphene. The nanosized NiO and NiFe 2 O 4 plates are separated from each other and the graphene substrate can prevent the aggregation of NiO/NiFe 2 O 4 as well as enhance the electronic conductivity of the composite, which is beneficial to improving the electrochemical performance. Moreover, the effects of the content and the particle size/component of NiO/NiFe 2 O 4 on the electrochemical performances are also studied in order to achieve optimal performance. Ultrathin NiO/NiFe 2 O 4 nanoplates are further encapsulated by graphene nanosheets and show slightly decreased performance compared to those supported by graphene nanosheets. The different electrochemical behaviors of graphene-containing composites may be attributed to the different interactions between graphene nanosheets and NiO/NiFe 2 O 4 nanoplates.

  17. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method. Wills and ...

  18. Critical current enhancement driven by suppression of superconducting fluctuation in ion-gated ultrathin FeSe

    Science.gov (United States)

    Harada, T.; Shiogai, J.; Miyakawa, T.; Nojima, T.; Tsukazaki, A.

    2018-05-01

    The framework of phase transition, such as superconducting transition, occasionally depends on the dimensionality of materials. Superconductivity is often weakened in the experimental conditions of two-dimensional thin films due to the fragile superconducting state against defects and interfacial effects. In contrast to this general trend, superconductivity in the thin limit of FeSe exhibits an opposite trend, such as an increase in critical temperature (T c) and the superconducting gap exceeding the bulk values; however, the dominant mechanism is still under debate. Here, we measured thickness-dependent electrical transport properties of the ion-gated FeSe thin films to evaluate the superconducting critical current (I c) in the ultrathin FeSe. Upon systematically decreasing the FeSe thickness by the electrochemical etching technique in the Hall bar-shaped electric double-layer transistors, we observed a dramatic enhancement of I c reaching about 10 mA and corresponding to about 107 A cm‑2 in the thinnest condition. By analyzing the transition behavior, we clarify that the suppressed superconducting fluctuation is one of the origins of the large I c in the ion-gated ultrathin FeSe films. These results indicate the existence of a robust superconducting state possibly with dense Cooper pairs at the thin limit of FeSe.

  19. A review of the irradiation evolution of dispersed oxide nanoparticles in the b.c.c. Fe-Cr system: Current understanding and future directions

    Energy Technology Data Exchange (ETDEWEB)

    Wharry, Janelle P., E-mail: jwharry@purdue.edu [Purdue University, 400 Central Drive, West Lafayette, IN 47907 (United States); Swenson, Matthew J.; Yano, Kayla H. [Boise State University, 1910 University Drive, Boise, ID 83725 (United States)

    2017-04-01

    Thus far, a number of studies have investigated the irradiation evolution of oxide nanoparticles in b.c.c. Fe-Cr based oxide dispersion strengthened (ODS) alloys. But given the inconsistent experimental conditions, results have been widely variable and inconclusive. Crystal structure and chemistry changes differ from experiment to experiment, and the total nanoparticle volume fraction has been observed to both increase and decrease. Furthermore, there has not yet been a comprehensive review of the archival literature. In this paper, we summarize the existing studies on nanoparticle irradiation evolution. We note significant observations with respect to oxide nanoparticle crystallinity, composition, size, and number density. We discuss four possible contributing mechanisms for nanoparticle evolution: ballistic dissolution, Ostwald ripening, irradiation-enhanced diffusion, and homogeneous nucleation. Finally, we propose future directions to achieve a more comprehensive understanding of irradiation effects on oxide nanoparticles in ODS alloys.

  20. Epitaxial growth of Co(0 0 0 1)hcp/Fe(1 1 0)bcc magnetic bi-layer films on SrTiO3(1 1 1) substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2008-01-01

    Co(0 0 0 1) hcp /Fe(1 1 0) bcc epitaxial magnetic bi-layer films were successfully prepared on SrTiO 3 (1 1 1) substrates. The crystallographic properties of Co/Fe epitaxial magnetic bi-layer films were investigated. Fe(1 1 0) bcc soft magnetic layer grew epitaxially on SrTiO 3 (1 1 1) substrate with two type variants, Nishiyama-Wasserman and Kurdjumov-Sachs relationships. An hcp-Co single-crystal layer is obtained on Ru(0 0 0 1) hcp interlayer, while hcp-Co layer formed on Au(1 1 1) fcc or Ag(1 1 1) fcc interlayer is strained and may involve fcc-Co phase. It has been shown possible to prepare Co/Fe epitaxial magnetic bi-layer films which can be usable for patterned media application

  1. Photoelectron diffraction study of Rh nanoparticles growth on Fe3O4/Pd(111) ultrathin film

    International Nuclear Information System (INIS)

    Abreu, G. J. P.; Pancotti, A; Lima, L. H. de; Landers, R.; Siervo, A. de

    2013-01-01

    Metallic nanoparticles (NPs) supported on oxides thin films are commonly used as model catalysts for studies of heterogeneous catalysis. Several 4d and 5d metal NPs (for example, Pd, Pt and Au) grown on alumina, ceria and titania have shown strong metal support interaction (SMSI), for instance the encapsulation of the NPs by the oxide. The SMSI plays an important role in catalysis and is very dependent on the support oxide used. The present work investigates the growth mechanism and atomic structure of Rh NPs supported on epitaxial magnetite Fe 3 O 4 (111) ultrathin films prepared on Pd(111) using the Molecular Beam Epitaxy (MBE) technique. The iron oxide and the Rh NPs were characterized using X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction and photoelectron diffraction (PED). The combined XPS and PED results indicate that Rh NPs are metallic, cover approximately 20 % of the iron oxide surface and show height distribution ranging 3–5 ML (monolayers) with essentially a bulk fcc structure.

  2. High thermal stability in W/MgO/CoFeB/W/CoFeB/W stacks via ultrathin W insertion with perpendicular magnetic anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yi; Yu, Tao [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Zhu, Zhengyong; Zhong, Huicai [Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029 (China); Khamis, Khamis Masoud [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Zhu, Kaigui, E-mail: kgzhu@buaa.edu.cn [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Key Laboratory of Micro-Nano Measurement-Manipulation and Physics, Ministry of Education, Beihang University, Beijing 100191 (China)

    2016-07-15

    The perpendicular magnetic anisotropy (PMA) of a series of top MgO/CoFeB/W stacks were studied. In these stacks, the thickness of CoFeB is limited in a range of 1.1–2.2 nm. It was found that the stack can still maintain PMA in a 1.9 nm thick CoFeB free layer. Besides, we investigated the thermal stability factor ∆ of a spin transfer torque magnetic random access memory (STT-MRAM) by inserting an ultra-thin W film of 0.8 nm between two CoFeB films. The result shows a clear PMA behavior for the samples with CoFeB thickness up to 2.5 nm, and an in-plane magnetic anisotropy (IMA) when the CoFeB is thicker than 2.5 nm. Moreover, the thermal stability factor ∆ of the CoFeB stack with W insertion is about 132 for a 50 nm size STT-MRAM device, which is remarkably improved compared to 112 for a sample without W insertion. Our results represent an alternative way to realize the endurance at high annealing temperature, high-density and high ∆ in STT-MRAM device by ultra-thin W insertion. - Highlights: • The MgO/CoFeB/W multilayer can still maintain PMA in a CoFeB thickness of 1.9 nm. • The sample with 2.5 nm thickness of CoFeB by W insertion can still maintain PMA. • The sample with W insertion can still maintain PMA until the annealing temperature as high as 350 °C. • The thermal stability factor ∆ of sample with W insertion could be increase to about 132 for a 50 nm size STT-MRAM device.

  3. Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

    International Nuclear Information System (INIS)

    Nakashima, Kenichi; Stoller, Roger E; Xu, Haixuan

    2015-01-01

    The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a 0 to 3.3a 0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a 0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster. (paper)

  4. Ab initio study of symmetrical tilt grain boundaries in bcc Fe: structural units, magnetic moments, interfacial bonding, local energy and local stress

    International Nuclear Information System (INIS)

    Bhattacharya, Somesh Kr; Tanaka, Shingo; Kohyama, Masanori; Shiihara, Yoshinori

    2013-01-01

    We present first-principle calculations on symmetric tilt grain boundaries (GBs) in bcc Fe. Using density functional theory (DFT), we studied the structural, electronic and magnetic properties of Σ3(111) and Σ11(332) GBs formed by rotation around the [110] axis. The optimized structures, GB energies and GB excess free volumes are consistent with previous DFT and classical simulation studies. The GB configurations can be interpreted by the structural unit model as given by Nakashima and Takeuchi (2000 ISIJ 86 357). Both the GBs are composed of similar structural units of three- and five-membered rings with different densities at the interface according to the rotation angle. The interface atoms with larger atomic volumes reveal higher magnetic moments than the bulk value, while the interface atoms with shorter bond lengths have reduced magnetic moments in each GB. The charge density and local density of states reveal that the interface bonds with short bond lengths have more covalent nature, where minority-spin electrons play a dominant role as the typical nature of ferromagnetic Fe. In order to understand the structural stability of these GBs, we calculated the local energy and local stress for each atomic region using the scheme of Shiihara et al (2010 Phys. Rev. B 81 075441). In each GB, the interface atoms with larger atomic volumes and enhanced magnetic moments reveal larger local energy increase and tensile stress. The interface atoms constituting more covalent-like bonds with reduced magnetic moments have lower local energy increase, contributing to the stabilization, while compressive stress is generated at these atoms. The relative stability between the two GBs can be understood by the local energies at the structural units. The local energy and local stress analysis is a powerful tool to investigate the structural properties of GBs based on the behavior of valence electrons. (paper)

  5. Ultrathin FeOOH nanolayers with abundant oxygen vacancies on BiVO{sub 4} photoanodes for efficient water oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Beibei [State Key Laboratory for Oxo Synthesis and Selective Oxidation, National Engineering Research Center for Fine Petrochemical Intermediates, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou (China); State Key Laboratory of Applied Organic Chemistry, Key Laboratory of Nonferrous Metals Chemistry and Resources Utilization of Gansu Province, and College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou (China); Wang, Lei; Zhang, Yajun; Bi, Yingpu [State Key Laboratory for Oxo Synthesis and Selective Oxidation, National Engineering Research Center for Fine Petrochemical Intermediates, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou (China); Ding, Yong [State Key Laboratory of Applied Organic Chemistry, Key Laboratory of Nonferrous Metals Chemistry and Resources Utilization of Gansu Province, and College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou (China)

    2018-02-19

    Photoelectrochemical (PEC) water splitting is a promising method for storing solar energy in the form of hydrogen fuel, but it is greatly hindered by the sluggish kinetics of the oxygen evolution reaction (OER). Herein, a facile solution impregnation method is developed for growing ultrathin (2 nm) highly crystalline β-FeOOH nanolayers with abundant oxygen vacancies on BiVO{sub 4} photoanodes. These exhibited a remarkable photocurrent density of 4.3 mA cm{sup -2} at 1.23 V (vs. reversible hydrogen electrode (RHE), AM 1.5 G), which is approximately two times higher than that of amorphous FeOOH fabricated by electrodeposition. Systematic studies reveal that the excellent PEC activity should be attributed to their ultrathin crystalline structure and abundant oxygen vacancies, which could effectively facilitate the hole transport/trapping and provide more active sites for water oxidation. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. A simple method for determining the lattice parameter and chemical composition in ternary bcc-Fe rich nanocrystals

    International Nuclear Information System (INIS)

    Moya, Javier A.; Gamarra Caramella, Soledad; Marta, Leonardo J.; Berejnoi, Carlos

    2015-01-01

    Highlights: • A method for determining composition in ternary nanocrystals is presented. • X-ray diffraction and Mössbauer spectroscopy data were employed. • We perform theoretical charts for lattice parameter of Fe-rich ternary alloys. • A linear relationship in lattice parameter for binary alloys is evaluated. • A parabolic relationship is proposed for the Fe–Co–Si alloy. - Abstract: Charts containing lattice parameters of Fe 1−x (M,N) x ternary systems with M and N = Si, Al, Ge or Co, and 0 ⩽ x ⩽ ∼0.3, were developed by implementing a linear relationship between the respective binary alloys with the same solute content of the ternary one. Charts were validated with experimental data obtained from literature. For the Fe–Co–Si system, the linear relationship does not fit the experimental data. For the other systems (except the Fe–Co–Ge one where no experimental data was found), the lineal relationship constitute a very good approximation. Using these charts and the lattice parameter data obtained from X-ray diffraction technique combining with the solute content data obtained from Mössbauer spectroscopy technique it is possible to determine the chemical composition of nanograins in soft magnetic nanocomposite materials and some examples are provided

  7. A simple method for determining the lattice parameter and chemical composition in ternary bcc-Fe rich nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Moya, Javier A., E-mail: jmoya.fi.uba@gmail.com [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Gamarra Caramella, Soledad; Marta, Leonardo J. [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Berejnoi, Carlos [Universidad Nacional de Salta, Facultad de Ingeniería, Salta (Argentina)

    2015-05-15

    Highlights: • A method for determining composition in ternary nanocrystals is presented. • X-ray diffraction and Mössbauer spectroscopy data were employed. • We perform theoretical charts for lattice parameter of Fe-rich ternary alloys. • A linear relationship in lattice parameter for binary alloys is evaluated. • A parabolic relationship is proposed for the Fe–Co–Si alloy. - Abstract: Charts containing lattice parameters of Fe{sub 1−x}(M,N){sub x} ternary systems with M and N = Si, Al, Ge or Co, and 0 ⩽ x ⩽ ∼0.3, were developed by implementing a linear relationship between the respective binary alloys with the same solute content of the ternary one. Charts were validated with experimental data obtained from literature. For the Fe–Co–Si system, the linear relationship does not fit the experimental data. For the other systems (except the Fe–Co–Ge one where no experimental data was found), the lineal relationship constitute a very good approximation. Using these charts and the lattice parameter data obtained from X-ray diffraction technique combining with the solute content data obtained from Mössbauer spectroscopy technique it is possible to determine the chemical composition of nanograins in soft magnetic nanocomposite materials and some examples are provided.

  8. Fabrication of highly oriented D03-Fe3Si nanocrystals by solid-state dewetting of Si ultrathin layer

    International Nuclear Information System (INIS)

    Naito, Muneyuki; Nakagawa, Tatsuhiko; Machida, Nobuya; Shigematsu, Toshihiko; Nakao, Motoi; Sudoh, Koichi

    2013-01-01

    In this paper, highly oriented nanocrystals of Fe 3 Si with a D0 3 structure are fabricated on SiO 2 using ultrathin Si on insulator substrate. First, (001) oriented Si nanocrystals are formed on the SiO 2 layer by solid state dewetting of the top Si layer. Then, Fe addition to the Si nanocrystals is performed by reactive deposition epitaxy and post-deposition annealing at 500 °C. The structures of the Fe–Si nanocrystals are analyzed by cross-sectional transmission electron microscopy and nanobeam electron diffraction. We observe that Fe 3 Si nanocrystals with D0 3 , B2, and A2 structures coexist on the 1-h post-annealed samples. Prolonged annealing at 500 °C is effective in obtaining Fe 3 Si nanocrystals with a D0 3 single phase, thereby promoting structural ordering in the nanocrystals. We discuss the formation process of the highly oriented D0 3 -Fe 3 Si nanocrystals on the basis of the atomistic structural information. - Highlights: • Highly oriented Fe–Si nanocrystals (NCs) are fabricated by reactive deposition. • Si NCs formed by solid state dewetting of Si thin layers are used as seed crystals. • The structures of Fe–Si NCs are analyzed by nanobeam electron diffraction. • Most of Fe–Si NCs possess the D0 3 structure after post-deposition annealing

  9. Manipulating magnetic anisotropy of the ultrathin Co{sub 2}FeAl full-Heusler alloy film via growth orientation of the Pt buffer layer

    Energy Technology Data Exchange (ETDEWEB)

    Wen, F.S., E-mail: wenfsh03@126.com [State Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Xiang, J.Y.; Hao, C.X.; Zhang, F.; Lv, Y.F. [State Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Wang, W.H. [Institute of Physics, Chinese Academy of Science, Beijing 100080 (China); Hu, W.T.; Liu, Z.Y. [State Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2013-12-15

    The ultrathin films of Co{sub 2}FeAl (CFA) full-Heusler alloy were prepared between two Pt layers on MgO single crystals by magnetron sputtering. By controlling the substrate temperature, different growth orientations of the Pt underlayers were realized, and their effects were investigated on the magnetic anisotropy of the ultrathin CFA film. It was revealed that different Pt orientations lead to distinctly different magnetic anisotropy for the sandwiched ultrathin CFA films. The Pt (111) orientation favors the perpendicular anisotropy, while the appearance of partial Pt (001) orientation leads to the quick decrease of perpendicular anisotropy and the complete Pt (001) orientation gives rise to the in-plane anisotropy. With the Pt (111) orientation, the temperature and thickness-induced spin reorientation transitions were investigated in the sandwiched ultrathin CFA films. - Highlights: • Different Pt orientations lead to different magnetic anisotropy for sandwiched ultrathin CFA films. • The Pt (111) orientation favors the perpendicular anisotropy for CFA layer. • Temperature and thickness-induced spin reorientation transitions were investigated in sandwiched ultrathin CFA films. • 0.8 nm CFA film is good candidate as electrode in magnetic tunnel junctions.

  10. Manipulating magnetic anisotropy of the ultrathin Co2FeAl full-Heusler alloy film via growth orientation of the Pt buffer layer

    International Nuclear Information System (INIS)

    Wen, F.S.; Xiang, J.Y.; Hao, C.X.; Zhang, F.; Lv, Y.F.; Wang, W.H.; Hu, W.T.; Liu, Z.Y.

    2013-01-01

    The ultrathin films of Co 2 FeAl (CFA) full-Heusler alloy were prepared between two Pt layers on MgO single crystals by magnetron sputtering. By controlling the substrate temperature, different growth orientations of the Pt underlayers were realized, and their effects were investigated on the magnetic anisotropy of the ultrathin CFA film. It was revealed that different Pt orientations lead to distinctly different magnetic anisotropy for the sandwiched ultrathin CFA films. The Pt (111) orientation favors the perpendicular anisotropy, while the appearance of partial Pt (001) orientation leads to the quick decrease of perpendicular anisotropy and the complete Pt (001) orientation gives rise to the in-plane anisotropy. With the Pt (111) orientation, the temperature and thickness-induced spin reorientation transitions were investigated in the sandwiched ultrathin CFA films. - Highlights: • Different Pt orientations lead to different magnetic anisotropy for sandwiched ultrathin CFA films. • The Pt (111) orientation favors the perpendicular anisotropy for CFA layer. • Temperature and thickness-induced spin reorientation transitions were investigated in sandwiched ultrathin CFA films. • 0.8 nm CFA film is good candidate as electrode in magnetic tunnel junctions

  11. Photoelectrochemical energy conversion obtained with ultrathin organo-metallic-chemical-vapor-deposition layer of FeS2 (pyrite) on TiO2

    International Nuclear Information System (INIS)

    Ennaoui, A.; Fiechter, S.; Tributsch, H.; Giersig, M.; Vogel, R.; Weller, H.

    1992-01-01

    Ultrathin (10 to 20 nm thick), polycrystalline films of FeS 2 (pyrite) were grown on TiO 2 (anatase) by chemical vapor deposition. The FeS 2 films were characterized using optical absorption and high-resolution electron microscopy. Photoelectrochemical solar cells, using TiO 2 (anatase) coated with FeS 2 ultrathin films, generated high open-circuit photo-voltages, of up to 600 mV, compared with a single crystal of pyrite electrode (200 mV). The photoelectrochemical behavior shows a strong dependence of photovoltage and photocurrent on the pH of the solution. This paper reports that it is explained by electron injection from the conduction band of FeS 2 to the conduction band of TiO 2 . Regeneration of holes is taking place by electron transfer from the redox system in the electrolyte

  12. Photoelectrochemical energy conversion obtained with ultrathin organo-metallic-chemical-vapor-deposition layer of FeS[sub 2] (pyrite) on TiO[sub 2

    Energy Technology Data Exchange (ETDEWEB)

    Ennaoui, A.; Fiechter, S.; Tributsch, H. (Abt. Solare Energetik, Hahn-Meitner-Inst., D-1000 Berlin 39 (Germany)); Giersig, M.; Vogel, R.; Weller, H. (Abt. Photochemie, Hahn-Meitner-Inst., D-1000 Berlin 39 (Germany))

    1992-09-01

    Ultrathin (10 to 20 nm thick), polycrystalline films of FeS[sub 2] (pyrite) were grown on TiO[sub 2] (anatase) by chemical vapor deposition. The FeS[sub 2] films were characterized using optical absorption and high-resolution electron microscopy. Photoelectrochemical solar cells, using TiO[sub 2] (anatase) coated with FeS[sub 2] ultrathin films, generated high open-circuit photo-voltages, of up to 600 mV, compared with a single crystal of pyrite electrode (200 mV). The photoelectrochemical behavior shows a strong dependence of photovoltage and photocurrent on the pH of the solution. This paper reports that it is explained by electron injection from the conduction band of FeS[sub 2] to the conduction band of TiO[sub 2]. Regeneration of holes is taking place by electron transfer from the redox system in the electrolyte.

  13. On hyper BCC-algebras

    OpenAIRE

    Borzooei, R. A.; Dudek, W. A.; Koohestani, N.

    2006-01-01

    We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

  14. On hyper BCC-algebras

    Directory of Open Access Journals (Sweden)

    R. A. Borzooei

    2006-01-01

    Full Text Available We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

  15. Perpendicular magnetic anisotropy at the interface between ultrathin Fe film and MgO studied by angular-dependent x-ray magnetic circular dichroism

    Energy Technology Data Exchange (ETDEWEB)

    Okabayashi, J. [Research Center for Spectrochemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Koo, J. W.; Mitani, S. [National Institute for Materials Science (NIMS), Tsukuba 305-0047 (Japan); Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8577 (Japan); Sukegawa, H. [National Institute for Materials Science (NIMS), Tsukuba 305-0047 (Japan); Takagi, Y.; Yokoyama, T. [Institute of Molecular Science, Okazaki, Aichi 444-8585 (Japan)

    2014-09-22

    Interface perpendicular magnetic anisotropy (PMA) in ultrathin Fe/MgO (001) has been investigated using angular-dependent x-ray magnetic circular dichroism (XMCD). We found that anisotropic orbital magnetic moments deduced from the analysis of XMCD contribute to the large PMA energies, whose values depend on the annealing temperature. The large PMA energies determined from magnetization measurements are related to those estimated from the XMCD and the anisotropic orbital magnetic moments through the spin-orbit interaction. The enhancement of anisotropic orbital magnetic moments can be explained mainly by the hybridization between the Fe 3d{sub z}{sup 2} and O 2p{sub z} states.

  16. Tip-Dependent Scanning Tunneling Microscopy Imaging of Ultrathin FeO Films on Pt(111)

    DEFF Research Database (Denmark)

    Merte, Lindsay Richard; Grabow, Lars C.; Peng, Guowen

    2011-01-01

    High-resolution scanning tunneling microscope (STM) images of moiré-structured FeO films on Pt(111) were obtained in a number of different tip-dependent imaging modes. For the first time, the STM images are distinguished and interpreted unambiguously with the help of distinct oxygen...

  17. Preparation of c-axis perpendicularly oriented ultra-thin L10-FePt films on MgO and VN underlayers

    Science.gov (United States)

    Futamoto, Masaaki; Shimizu, Tomoki; Ohtake, Mitsuru

    2018-05-01

    Ultra-thin L10-FePt films of 2 nm average thickness are prepared on (001) oriented MgO and VN underlayers epitaxially grown on base substrate of SrTiO3(001) single crystal. Detailed cross-sectional structures are observed by high-resolution transmission electron microscopy. Continuous L10-FePt(001) thin films with very flat surface are prepared on VN(001) underlayer whereas the films prepared on MgO(001) underlayer consist of isolated L10-FePt(001) crystal islands. Presence of misfit dislocation and lattice bending in L10-FePt material is reducing the effective lattice mismatch with respect to the underlayer to be less than 0.5 %. Formation of very flat and continuous FePt layer on VN underlayer is due to the large surface energy of VN material where de-wetting of FePt material at high temperature annealing process is suppressed under a force balance between the surface and interface energies of FePt and VN materials. An employment of underlayer or substrate material with the lattice constant and the surface energy larger than those of L10-FePt is important for the preparation of very thin FePt epitaxial thin continuous film with the c-axis controlled to be perpendicular to the substrate surface.

  18. Tunable magnetic properties by interfacial manipulation of L1(0)-FePt perpendicular ultrathin film with island-like structures.

    Science.gov (United States)

    Feng, C; Wang, S G; Yang, M Y; Zhang, E; Zhan, Q; Jiang, Y; Li, B H; Yu, G H

    2012-02-01

    Based on interfacial manipulation of the MgO single crystal substrate and non-magnetic AIN compound, a L1(0)-FePt perpendicular ultrathin film with the structure of MgO/FePt-AIN/Ta was designed, prepared, and investigated. The film is comprised of L1(0)-FePt "magnetic islands," which exhibits a perpendicular magnetic anisotropy (PMA), tunable coercivity (Hc), and interparticle exchange coupling (IEC). The MgO substrate promotes PMA of the film because of interfacial control of the FePt lattice orientation. The AIN compound is doped to increase the difference of surface energy between FePt layer and MgO substrate and to suppress the growth of FePt grains, which takes control of island growth mode of FePt atoms. The AIN compound also acts as isolator of L1(0)-FePt islands to pin the sites of FePt domains, resulting in the tunability of Hc and IEC of the films.

  19. Tailoring of magnetic properties of ultrathin epitaxial Fe films by Dy doping

    Directory of Open Access Journals (Sweden)

    A. A. Baker

    2015-07-01

    Full Text Available We report on the controlled modification of relaxation parameters and magnetic moments of epitaxial Fe thin films through Dy doping. Ferromagnetic resonance measurements show that an increase of Dy doping from 0.1% to 5% gives a tripling in Gilbert damping, and more importantly a strongly enhanced anisotropic damping that can be qualitatively understood through the slow-relaxing impurity model. X-ray magnetic circular dichroism measurements show a pronounced suppression of the orbital moment of the Fe with Dy doping, leading to an almost threefold drop in the orbital to spin moment ratio, ml/ms. Doping with Dy can therefore be used to control both dynamic and static properties of thin ferromagnetic films for improved performance in spintronics device applications, mediated through the antiferromagnetic interaction of the 4f and 3d states.

  20. Tailoring of magnetic properties of ultrathin epitaxial Fe films by Dy doping

    Energy Technology Data Exchange (ETDEWEB)

    Baker, A. A. [Department of Physics, Clarendon Laboratory, University of Oxford, Oxford, OX1 3PU (United Kingdom); Magnetic Spectroscopy Group, Diamond Light Source, Didcot, OX11 0DE (United Kingdom); Figueroa, A. I.; Laan, G. van der [Magnetic Spectroscopy Group, Diamond Light Source, Didcot, OX11 0DE (United Kingdom); Hesjedal, T. [Department of Physics, Clarendon Laboratory, University of Oxford, Oxford, OX1 3PU (United Kingdom)

    2015-07-15

    We report on the controlled modification of relaxation parameters and magnetic moments of epitaxial Fe thin films through Dy doping. Ferromagnetic resonance measurements show that an increase of Dy doping from 0.1% to 5% gives a tripling in Gilbert damping, and more importantly a strongly enhanced anisotropic damping that can be qualitatively understood through the slow-relaxing impurity model. X-ray magnetic circular dichroism measurements show a pronounced suppression of the orbital moment of the Fe with Dy doping, leading to an almost threefold drop in the orbital to spin moment ratio, m{sub l}/m{sub s}. Doping with Dy can therefore be used to control both dynamic and static properties of thin ferromagnetic films for improved performance in spintronics device applications, mediated through the antiferromagnetic interaction of the 4f and 3d states.

  1. Spatially Resolved Large Magnetization in Ultrathin BiFeO3

    KAUST Repository

    Guo, Er-Jia

    2017-06-19

    Here, a quantitative magnetic depth profile across the planar interfaces in BiFeO3 /La0.7 Sr0.3 MnO3 (BFO/LSMO) superlattices using polarized neutron reflectometry is obtained. An enhanced magnetization of 1.83 ± 0.16 μB /Fe in BFO layers is observed when they are interleaved between two manganite layers. The enhanced magnetic order in BFO persists up to 200 K. The depth dependence of magnetic moments in BFO/LSMO superlattices as a function of the BFO layer thickness is also explored. The results show the enhanced net magnetic moment in BFO from the LSMO/BFO interface extends 3-4 unit cells into BFO. The interior part of a thicker BFO layer has a much smaller magnetization, suggesting it still keeps the small canted AFM state. The results exclude charge transfer, intermixing, epitaxial strain, and octahedral rotations/tilts as dominating mechanisms for the large net magnetization in BFO. An explanation-one suggested by others previously and consistent with the observations-attributes the temperature dependence of the net magnetization of BFO to strong orbital hybridization between Fe and Mn across the interfaces. Such orbital reconstruction would establish an upper temperature limit for magnetic ordering of BFO.

  2. The development of BCC

    International Nuclear Information System (INIS)

    He Xiaoping; Yang Hailiang; Sun Jianfeng; Ren Shuqing; Zhang Jiasheng; Shi Lei; Peng Jianchang; Li Hongyu; Qiu Aici; Tang Junping; Xi'an Jiaotong Univ., Xi'an

    2004-01-01

    An analysis of principle of a BCC for measuring ion beam density and the main reasons related to the measuring accuracy were presented. An array of 13 biased charge collecrors was designed for the measurement of ion beam density of 'FLASH-II' high power ion beam source, and the data of experiments was analyzed. (authors)

  3. Smarandache hyper BCC-algebra

    OpenAIRE

    Ahadpanah, A.; Borumand Saeid, A.

    2011-01-01

    In this paper, we define the Smarandache hyper BCC-algebra, and Smarandache hyper BCC-ideals of type 1, 2, 3 and 4. We state and prove some theorems in Smarandache hyper BCC -algebras, and then we determine the relationships between these hyper ideals.

  4. Crack growth in Fe-2.7 wt% Si single crystals under cyclic loading and 3D atomistic results in bcc iron

    Czech Academy of Sciences Publication Activity Database

    Landa, Michal; Machová, Anna; Uhnáková, Alena; Pokluda, J.; Lejček, Pavel

    2016-01-01

    Roč. 87, June (2016), s. 63-70 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698; GA ČR GAP108/12/0144; GA ČR(CZ) GA15-20666S; GA ČR GA13-13616S Institutional support: RVO:61388998 ; RVO:68378271 Keywords : grack growth * cyclic loading * Bcc iron Subject RIV: JL - Materials Fatigue, Friction Mechanics; BM - Solid Matter Physics ; Magnetism (FZU-D) Impact factor: 2.899, year: 2016 http://ac.els-cdn.com/S014211231500448X/1-s2.0-S014211231500448X-main.pdf?_tid=96e3e5a0-fb08-11e5-92cb-00000aab0f02&acdnat=1459845181_19fcdd93d31b1f140714e52b835b33d8

  5. Highly (002) textured large grain bcc Cr{sub 80}Mn{sub 20} seed layer on Cr{sub 50}Ti{sub 50} amorphous layer for FePt-C granular film

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Seong-Jae, E-mail: jsjigst@ecei.tohoku.ac.jp; Saito, Shin [Department of Electronic Engineering, Tohoku University, 6-6-05 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Hinata, Shintaro [Department of Electronic Engineering, Tohoku University, 6-6-05 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Japan Society for the Promotion of Science Research Fellow (PD), 5-3-1, Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Takahashi, Migaku [New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan)

    2015-05-07

    Effect of bcc Cr{sub 80}Mn{sub 20} seed layer and Cr{sub 50}Ti{sub 50} amorphous texture inducing layer on the heteroepitaxy system in FePt-C granular film was studied by introducing a new concept of the layered structure. The concept suggested that the large grain seed layer in which the crystallographic texture was initially formed on an amorphous layer in the layered structure can reduce the angular distribution of (002) c-axis crystal orientation in the FePt-C granular film owing to heteroepitaxial growth. Structure analysis by X-ray diffraction revealed that (1) when the substrate heating temperature was elevated from 300 °C to 500 °C, grain size in the seed layer increased from 9.8 nm to 11.6 nm, and then decreased with further increasing the substrate temperature. The reduction of the grain size over 500 °C corresponds to the crystallization of the amorphous texture inducing layer, (2) when the grain size increased from 9.8 nm to 11.6 nm, the angular distribution of the (002) orientation in the seed layer dramatically decreased from 13.7° to 4.1°. It was shown that the large grain seed layer increased the perpendicular hysteresis in FePt-C granular film.

  6. CMOS compatible fabrication of flexible and semi-transparent FeRAM on ultra-thin bulk monocrystalline silicon (100) fabric

    KAUST Repository

    Ghoneim, Mohamed T.; Hanna, Amir; Hussain, Muhammad Mustafa

    2014-01-01

    Commercialization of flexible electronics requires reliable, high performance, ultra-compact and low power devices. To achieve them, we fabricate traditional electronics on bulk mono-crystalline silicon (100) and transform the top portion into an ultra-thin flexible silicon fabric with prefabricated devices, preserving ultra-large-scale-integration density and same device performance. This can be done in a cost effective manner due to its full compatibility with standard CMOS processes. In this paper, using the same approach, for the first time we demonstrate a ferroelectric random access memory (FeRAM) cell on flexible silicon fabric platform and assess its functionality and practical potential.

  7. CMOS compatible fabrication of flexible and semi-transparent FeRAM on ultra-thin bulk monocrystalline silicon (100) fabric

    KAUST Repository

    Ghoneim, Mohamed T.

    2014-08-01

    Commercialization of flexible electronics requires reliable, high performance, ultra-compact and low power devices. To achieve them, we fabricate traditional electronics on bulk mono-crystalline silicon (100) and transform the top portion into an ultra-thin flexible silicon fabric with prefabricated devices, preserving ultra-large-scale-integration density and same device performance. This can be done in a cost effective manner due to its full compatibility with standard CMOS processes. In this paper, using the same approach, for the first time we demonstrate a ferroelectric random access memory (FeRAM) cell on flexible silicon fabric platform and assess its functionality and practical potential.

  8. Magnetotransport effects of ultrathin Ni80Fe20 films probed in situ

    International Nuclear Information System (INIS)

    Krzyk, S; Schmidsfeld, A; Klaeui, M; Ruediger, U

    2010-01-01

    We investigated the magnetoresistance of Permalloy (Ni 80 Fe 20 ) films with thicknesses ranging from a single monolayer to 12 nm, grown on Al 2 O 3 , MgO and SiO 2 substrates. Growth and transport measurements were carried out at 80 K in UHV. Applying in-plane magnetic vector fields up to 100 mT, the magnetotransport properties were ascertained during growth. With increasing thickness the films exhibited a gradual transition from tunnelling magnetoresistance to anisotropic magnetoresistance. This corresponds to the evolution of the film structure from separated small islands to a network of interconnected grains, as well as the film's transition from superparamagnetic to ferromagnetic behaviour. Using an analysis based on a theoretical model of island growth, we found that the observed evolution of the magnetoresistance in the tunnelling regime originated from changes in the island size distribution during growth. Depending on the substrate material, significant differences in the magnetoresistance response in the transition regime between tunnelling magnetoresistance and anisotropic magnetoresistance were found. We attributed this to an increasingly pronounced island growth, and to a slower percolation process of Permalloy when comparing growth on SiO 2 , MgO and Al 2 O 3 substrates. The different growth characteristics resulted in a markedly earlier onset of both tunnelling magnetoresistance and anisotropic magnetoresistance for SiO 2 . For Al 2 O 3 in particular the growth mode results in a structure of the film containing two different contributions to ferromagnetism, which lead to two distinct coercive fields in the high thickness regime.

  9. Capping layer-tailored interface magnetic anisotropy in ultrathin Co2FeAl films

    International Nuclear Information System (INIS)

    Belmeguenai, M.; Zighem, F.; Chérif, S. M.; Gabor, M. S.; Petrisor, T.; Tiusan, C.

    2015-01-01

    Co 2 FeAl (CFA) thin films of various thicknesses (2 nm ≤ d ≤ 50 nm) have been grown on (001) MgO single crystal substrates and then capped with Cr, V, and Ta. Their magnetic and structural properties have been studied by x-ray diffraction (XRD), vibrating sample magnetometry, and broadband microstrip ferromagnetic resonance (MS-FMR). The XRD revealed that the films are epitaxial with the cubic [001] CFA axis normal to the substrate plane and that the chemical order varies from the B2 phase to the A2 phase when decreasing the thickness. The deduced lattice parameters showed that the Cr-capped films exhibit a larger tetragonal distortion, as compared with the films capped with V or Ta. The presence of magnetic dead layers has been observed in CFA samples capped with V and Ta but not in the case of the Cr-capped ones. The effective magnetization, deduced from the fit of MS-FMR measurements, increases (decreases) linearly with the CFA inverse thickness (1/d) for the Cr-capped (Ta-capped) films while it is constant for the V-capped ones. This allows quantifying the perpendicular surface anisotropy coefficients of −0.46 erg/cm 2 and 0.74 erg/cm 2 for Cr and Ta-capped films, respectively. Moreover, the fourfold and the uniaxial anisotropy fields, measured in these films, showed different trends with a respect to the CFA inverse thickness. This allows inferring that a non-negligible part of the fourfold magnetocrystalline term is of interfacial origin

  10. Fabricating high-energy quantum dots in ultra-thin LiFePO4 nanosheets using a multifunctional high-energy biomolecule-ATP

    DEFF Research Database (Denmark)

    Zhang, X.D.; Bi, Z.Y.; He, W.

    2014-01-01

    By using a multifunctional high-energy biomolecule—adenosine triphosphate (ATP)—we fabricated highenergy quantum dots (HEQDs) with a feature size of less than 10 nm and used them in high-power lithium-ion batteries. We introduced high-energy phosphate bonds into the crystal structure of LiFePO4...... nanoparticles and synthesized the mesoporous biocarbon nanowire coated LiFePO4 with HEQDs (MBCNW-LFP-HEQDs) by using ATP as a phosphorus source, a nucleating agent, a structural template and a biocarbon source. HEGDs were homogeneously formed inside the ultra-thin LiFePO4 nanosheet and the mesoporous biocarbon...... nanowire network structure was coated on the surface of the nanosheet. In LiFePO4 nanoparticles, HEQDs result in more storage sites of Li+ ions and easier transfer kinetics of electrons and lithium ions, where the kinetic transformation path between LiFePO4 and FePO4 is rather different from the path...

  11. Ab-initio study of the magneto-optical properties of the ultrathin films of Fe{sub n}/Au(001)

    Energy Technology Data Exchange (ETDEWEB)

    Boukelkoul, Mebarek, E-mail: boukelkoul_mebarek@yahoo.fr [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); Haroun, Mohamed Fahim [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); Haroun, Abdelhalim [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); IPCMS, UMR 7504 CNRS-UNISTRA, 23 Rue du Loess, Strasbourg, 67034 France (France)

    2016-12-15

    With the aim of understand the microscopic origin of the magneto-optical response in the Fe ultrathin films, we used the first principle full-relativistic Spin-Polarized Relativistic Linear Muffin-Tin Orbitals with Atomic Sphere Approximation. We performed an ab-initio study of the structural, magnetic and magneto-optical properties of Fe deposited on semi-infinite Au(001). The structure and growth of the film leads to a pseudomorphic body centered tetragonal structure with tetragonality ratio c/a=1.62, and the pseudomorphic growth is found to be larger than 3 monolayers. The magnetic study revealed a ferromagnetic phase with a large magnetic moment compared to the bulk one. The magneto-optical response is calculated via the polar magneto-optical Kerr effect over a photon energy range up to 10 eV. The most important features of the Kerr rotation spectra are interpreted trough the interband transitions between localized states.

  12. Structure, magnetic ordering, and spin filtering efficiency of NiFe{sub 2}O{sub 4}(111) ultrathin films

    Energy Technology Data Exchange (ETDEWEB)

    Matzen, S.; Moussy, J.-B., E-mail: jean-baptiste.moussy@cea.fr [CEA, IRAMIS, SPCSI, F-91191 Gif-sur-Yvette (France); Wei, P. [Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Gatel, C. [CEMES-CNRS, F-31055 Toulouse (France); Cezar, J. C. [ESRF, F-38043 Grenoble (France); Arrio, M. A.; Sainctavit, Ph. [IMPMC, F-75015 Paris (France); Moodera, J. S. [Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Physics Department, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-05-05

    NiFe{sub 2}O{sub 4}(111) ultrathin films (3–5 nm) have been grown by oxygen-assisted molecular beam epitaxy and integrated as effective spin-filter barriers. Structural and magnetic characterizations have been performed in order to investigate the presence of defects that could limit the spin filtering efficiency. These analyses have revealed the full strain relaxation of the layers with a cationic order in agreement with the inverse spinel structure but also the presence of antiphase boundaries. A spin-polarization up to +25% has been directly measured by the Meservey-Tedrow technique in Pt(111)/NiFe{sub 2}O{sub 4}(111)/γ-Al{sub 2}O{sub 3}(111)/Al tunnel junctions. The unexpected positive sign and relatively small value of the spin-polarization are discussed, in comparison with predictions and previous indirect tunnelling magnetoresistance measurements.

  13. Fabrication of highly oriented D0{sub 3}-Fe{sub 3}Si nanocrystals by solid-state dewetting of Si ultrathin layer

    Energy Technology Data Exchange (ETDEWEB)

    Naito, Muneyuki, E-mail: naito22@center.konan-u.ac.jp [Department of Chemistry, Konan University, Okamoto, Higashinada, Kobe, Hyogo 658-8501 (Japan); Nakagawa, Tatsuhiko; Machida, Nobuya; Shigematsu, Toshihiko [Department of Chemistry, Konan University, Okamoto, Higashinada, Kobe, Hyogo 658-8501 (Japan); Nakao, Motoi [Graduate School of Engineering, Kyushu Institute of Technology, Sensui, Tobata, Kitakyushu, Fukuoka 804-8550 (Japan); Sudoh, Koichi [The Institute of Scientific and Industrial Research, Osaka University, Mihogaoka, Ibaraki, Osaka 567-0047 (Japan)

    2013-07-31

    In this paper, highly oriented nanocrystals of Fe{sub 3}Si with a D0{sub 3} structure are fabricated on SiO{sub 2} using ultrathin Si on insulator substrate. First, (001) oriented Si nanocrystals are formed on the SiO{sub 2} layer by solid state dewetting of the top Si layer. Then, Fe addition to the Si nanocrystals is performed by reactive deposition epitaxy and post-deposition annealing at 500 °C. The structures of the Fe–Si nanocrystals are analyzed by cross-sectional transmission electron microscopy and nanobeam electron diffraction. We observe that Fe{sub 3}Si nanocrystals with D0{sub 3}, B2, and A2 structures coexist on the 1-h post-annealed samples. Prolonged annealing at 500 °C is effective in obtaining Fe{sub 3}Si nanocrystals with a D0{sub 3} single phase, thereby promoting structural ordering in the nanocrystals. We discuss the formation process of the highly oriented D0{sub 3}-Fe{sub 3}Si nanocrystals on the basis of the atomistic structural information. - Highlights: • Highly oriented Fe–Si nanocrystals (NCs) are fabricated by reactive deposition. • Si NCs formed by solid state dewetting of Si thin layers are used as seed crystals. • The structures of Fe–Si NCs are analyzed by nanobeam electron diffraction. • Most of Fe–Si NCs possess the D0{sub 3} structure after post-deposition annealing.

  14. Direct evidence of superconductivity and determination of the superfluid density in buried ultrathin FeSe grown on SrTiO3

    Science.gov (United States)

    Biswas, P. K.; Salman, Z.; Song, Q.; Peng, R.; Zhang, J.; Shu, L.; Feng, D. L.; Prokscha, T.; Morenzoni, E.

    2018-05-01

    Bulk FeSe is superconducting with a critical temperature Tc≅8 K and SrTiO3 is insulating in nature, yet high-temperature superconductivity has been reported at the interface between a single-layer FeSe and SrTiO3. Angle-resolved photoemission spectroscopy and scanning tunneling microscopy measurements observe a gap opening at the Fermi surface below ≈60 K. Elucidating the microscopic properties and understanding the pairing mechanism of single-layer FeSe is of utmost importance as it is a basic building block of iron-based superconductors. Here, we use the low-energy muon spin rotation/relaxation technique to detect and quantify the supercarrier density and determine the gap symmetry in FeSe grown on SrTiO3 (100). Measurements in applied field show a temperature-dependent broadening of the field distribution below ˜60 K, reflecting the superconducting transition and formation of a vortex state. Zero-field measurements rule out the presence of magnetism of static or fluctuating origin. From the inhomogeneous field distribution, we determine an effective sheet supercarrier density ns2 D≃6 ×1014cm-2 at T →0 K, which is a factor of 4 larger than expected from ARPES measurements of the excess electron count per Fe of 1 monolayer FeSe. The temperature dependence of the superfluid density ns(T ) can be well described down to ˜10 K by simple s -wave BCS, indicating a rather clean superconducting phase with a gap of 10.2(1.1) meV. The result is a clear indication of the gradual formation of a two-dimensional vortex lattice existing over the entire large FeSe/STO interface and provides unambiguous evidence for robust superconductivity below 60 K in ultrathin FeSe.

  15. Ab-initio study of the interfacial properties in ultrathin MgO films on O-rich FeO/Fe(001) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Junjin; Yu, Byungdeok [University of Seoul, Seoul (Korea, Republic of)

    2014-09-15

    Using ab-initio simulations based on density functional theory, we systematically studied the interfacial properties of MgO films on O-rich FeO/Fe(001) surfaces with increasing number of MgO layers from one to three monolayers (MLs). The structural and the adhesion properties of the MgO/FeO/Fe(001) system were assessed and compared with those of simple MgO/Fe(001) interfaces. Our calculated results showed that the adhesion energy for MgO/FeO/Fe(001) was smaller than that for simple MgO/Fe(001). An analysis of the electronic structures and the charge rearrangements of the MgO/FeO/Fe(001) interfaces was also performed. The work functions of the MgO/FeO/Fe(001) systems upon the deposition of MgO films exhibited smaller decreases (0.45 - 0.67 eV) than those (1.43 - 1.74 eV) of the MgO/Fe(001) systems. In addition, the obtained work functions (3.77 - 3.99 eV) for MgO/FeO/Fe(001) were much larger than those (2.12 - 2.43 eV) for MgO/Fe(001).

  16. Controlling electrodeposited ultrathin amorphous Fe hydroxides film on V-doped nickel sulfide nanowires as efficient electrocatalyst for water oxidation

    Science.gov (United States)

    Shang, Xiao; Yan, Kai-Li; Lu, Shan-Shan; Dong, Bin; Gao, Wen-Kun; Chi, Jing-Qi; Liu, Zi-Zhang; Chai, Yong-Ming; Liu, Chen-Guang

    2017-09-01

    Developing cost-effective electrocatalysts with both high activity and stability remains challenging for oxygen evolution reaction (OER) in water electrolysis. Herein, based on V-doped nickel sulfide nanowire on nickel foam (NiVS/NF), we further conduct controllable electrodeposition of Fe hydroxides film on NiVS/NF (eFe/NiVS/NF) to further improve OER performance and stability. For comparison, ultrafast chemical deposition of Fe hydroxides on NiVS/NF (uFe/NiVS/NF) is also utilized. V-doping of NiVS/NF may introduce more active sites for OER, and nanowire structure can expose abundant active sites and facilitate mass transport. Both of the two depositions generate amorphous Fe hydroxides film covering on the surface of nanowires and lead to enhanced OER activities. Furthermore, electrodeposition strategy realizes uniform Fe hydroxides film on eFe/NiVS/NF confirmed by superior OER activity of eFe/NiVS/NF than uFe/NiVS/NF with relatively enhanced stability. The OER activity of eFe/NiVS/NF depends on various electrodepositon time, and the optimal time (15 s) is obtained with maximum OER activity. Therefore, the controllable electrodeposition of Fe may provide an efficient and simple strategy to enhance the OER properties of electrocatalysts.

  17. Controlled soft-template synthesis of ultrathin C@FeS nanosheets with high-Li-storage performance.

    Science.gov (United States)

    Xu, Chen; Zeng, Yi; Rui, Xianhong; Xiao, Ni; Zhu, Jixin; Zhang, Wenyu; Chen, Jing; Liu, Weiling; Tan, Huiteng; Hng, Huey Hoon; Yan, Qingyu

    2012-06-26

    We report a facile approach to prepare carbon-coated troilite FeS (C@FeS) nanosheets via surfactant-assisted solution-based synthesis. 1-Dodecanethiol is used as both the sulfur source and the surfactant, which may form different-shaped micelles to direct the growth of nanostructures. Under appropriate growth conditions, the iron and sulfur atoms react to form thin layers of FeS while the hydrocarbon tails of 1-dodecanethiol separate the thin FeS layers, which turn to carbon after annealing in Ar. Such an approach can be extended to grow C@FeS nanospheres and nanoplates by modifying the synthesis parameters. The C@FeS nanosheets display excellent Li storage properties with high specific capacities and stable charge/discharge cyclability, especially at fast charge/discharge rates.

  18. Equation of state and thermodynamic properties of BCC metals

    Directory of Open Access Journals (Sweden)

    Vu Van Hung, N.T. Hoa

    2017-10-01

    Full Text Available The moment method in statistical dynamics is used to study the equation of state and thermodynamic properties of the bcc metals taking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The explicit expressions of the lattice constant, thermal expansion  oefficient, and the specific heats of the bcc metals are derived within the fourth order moment approximation. The termodynamic quantities of W, Nb, Fe,and Ta metals are calculated as a function of the pressure, and they are in good agreement with the corresponding results obtained from the first principles calculations and experimental results. The effective pair potentials work well for the calculations of bcc metals.

  19. Structure and magnetism of ultrathin Co and Fe films epitaxially grown on Pd/Cu(0 0 1)

    International Nuclear Information System (INIS)

    Lu, Y.F.; Przybylski, M.; Yan, L.; Barthel, J.; Meyerheim, H.L.; Kirschner, J.

    2005-01-01

    A contribution originating from the Co/Pd and Fe/Pd interfaces to the magneto-optical Kerr effect (MOKE) rotation is analyzed for Co and/or Fe films grown on a Pd-buffer-monolayer on Cu(0 0 1). A clear increase of the MOKE signal in comparison to the Co(Fe) films grown directly on Cu(0 0 1) is detected. An interpretation is supported by similar observations for Co films grown on Pd(1 1 0) and Pd(0 0 1). In particular, the sign reversal of the Kerr loops with increasing thickness of the Co(Fe) films is discussed. Magneto-optical effects are separated from the real magnetization and its dependence on the film thickness

  20. On Weak-BCC-Algebras

    Science.gov (United States)

    Thomys, Janus; Zhang, Xiaohong

    2013-01-01

    We describe weak-BCC-algebras (also called BZ-algebras) in which the condition (x∗y)∗z = (x∗z)∗y is satisfied only in the case when elements x, y belong to the same branch. We also characterize ideals, nilradicals, and nilpotent elements of such algebras. PMID:24311983

  1. Ultrathin limit and dead-layer effects in local polarization switching of BiFeO3

    NARCIS (Netherlands)

    Maksymovych, P.; Huijben, Mark; Pan, M.; Jesse, S.; Balke, N.; Chu, Y.H.; Chang, H.J.; Borisevich, A.Y.; Baddorf, A.P.; Rijnders, Augustinus J.H.M.; Blank, David H.A.; Ramesh, R.; Kalinin, S.V.

    2012-01-01

    Using piezoresponse force microscopy in an ultrahigh vacuum, polarization switching has been detected and quantified in epitaxial BiFeO3 films from 200 to about 4 unit cells thick. Local remnant piezoresponse was utilized to probe both ferroelectric properties and effects of imperfect electrical

  2. Magnetic properties of Co and Fe on Pt(111), Rh(111) and Pd(111): From single atoms to ultrathin films

    Energy Technology Data Exchange (ETDEWEB)

    Lehnert, Anne; Rusponi, Stefano; Etzkorn, Markus; Moulas, Geraud; Brune, Harald [IPN, EPF-Lausanne (Switzerland); Gambardella, Pietro [CREA, Catalan Institute of Nanotechnology (Spain); Bencok, Peter [ESRF, Grenoble (France)

    2009-07-01

    Single atoms of Co on Pt(111) are known to have a giant magnetic anisotropy energy (MAE) of 9.3 meV/atom. This is due to the reduced coordination and the strong spin-orbit coupling of the Pt 5d-states. In order to study the contribution of a highly polarizable substrate to the MAE, we investigated single Co atoms on Pd(111) and Rh(111) using X-ray magnetic circular dichroism (XMCD). We find a decreasing MAE moving from a 5d-substrate (Pt) to 4d-substrates (Pd and Rh). Co has a large orbital moment L of about 0.7 independent of the substrate. The easy axis is out-of-plane for Pt(111) and Pd(111) whereas it is in-plane for Co/Rh(111). Fe has on all substrates an out-of-plane easy axis, a very small anisotropy energy, and a L/S ratio of about 0.1. With increasing coverage the coordination number of the adatom increases and generally leads to a reduced MAE and orbital moment compared to the single atom. We measure one monolayer of Co and Fe on Pt(111) and Rh(111) and find MAE values <0.5 meV/atom. For 1 ML Co we find a substantial decrease in the L/S ratio to 0.19. However, the L/S ratio for 1 ML Fe on both substrates does not change much compared with the Fe single atom.

  3. Ensemble averaged structure–function relationship for nanocrystals: effective superparamagnetic Fe clusters with catalytically active Pt skin [Ensemble averaged structure-function relationship for composite nanocrystals: magnetic bcc Fe clusters with catalytically active fcc Pt skin

    Energy Technology Data Exchange (ETDEWEB)

    Petkov, Valeri [Central Michigan University, Mt. Pleasant, MI (United States); Prasai, Binay [Central Michigan University, Mt. Pleasant, MI (United States); Shastri, Sarvjit [Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division; Park, Hyun-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Kwon, Young-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Skumryev, Vassil [Institucio Catalana de Recerca i Estudis Avançats (ICREA), Barcelona (Spain); Universitat Autònoma de Barcelona (Spain). Department of Physics

    2017-09-12

    Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction, respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.

  4. Thickness Dependence of the Dzyaloshinskii-Moriya Interaction in Co2 FeAl Ultrathin Films: Effects of Annealing Temperature and Heavy-Metal Material

    Science.gov (United States)

    Belmeguenai, M.; Roussigné, Y.; Bouloussa, H.; Chérif, S. M.; Stashkevich, A.; Nasui, M.; Gabor, M. S.; Mora-Hernández, A.; Nicholson, B.; Inyang, O.-O.; Hindmarch, A. T.; Bouchenoire, L.

    2018-04-01

    The interfacial Dzyaloshinskii-Moriya interaction (IDMI) is investigated in Co2FeAl (CFA) ultrathin films of various thicknesses (0.8 nm ≤tCFA≤2 nm ) grown by sputtering on Si substrates, using Pt, W, Ir, and MgO buffer or/and capping layers. Vibrating sample magnetometry reveals that the magnetization at saturation (Ms ) for the Pt- and Ir-buffered films is higher than the usual Ms of CFA due to the proximity-induced magnetization (PIM) in Ir and Pt estimated to be 19% and 27%, respectively. The presence of PIM in these materials is confirmed using x-ray resonant magnetic reflectivity. Moreover, while no PIM is induced in W, higher PIM is obtained with Pt when it is used as a buffer layer rather than a capping layer. Brillouin light scattering in the Damon-Eshbach geometry is used to investigate the thickness dependences of the IDMI constants from the spin-wave nonreciprocity and the perpendicular anisotropy field versus the annealing temperature. The IDMI sign is found to be negative for Pt /CFA and Ir /CFA , while it is positive for W /CFA . The thickness dependence of the effective IDMI constant for stacks involving Pt and W shows the existence of two regimes similar to that of the perpendicular anisotropy constant due to the degradation of the interfaces as the CFA thickness approaches a critical thickness. The surface IDMI and anisotropy constants of each stack are determined for the thickest samples where a linear thickness dependence of the effective IDMI constant and the effective magnetization are observed. The interface anisotropy and IDMI constants investigated for the Pt /CFA /MgO system show different trends with the annealing temperature. The decrease of the IDMI constant with increasing annealing temperature is probably due to the electronic structure changes at the interfaces, while the increase of the interface anisotropy constant is coherent with the interface quality and disorder enhancement.

  5. Capping layer-tailored interface magnetic anisotropy in ultrathin Co{sub 2}FeAl films

    Energy Technology Data Exchange (ETDEWEB)

    Belmeguenai, M., E-mail: belmeguenai.mohamed@univ-paris13.fr; Zighem, F.; Chérif, S. M. [LSPM (CNRS-UPR 3407), Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, 93430 Villetaneuse (France); Gabor, M. S., E-mail: mihai.gabor@phys.utcluj.ro; Petrisor, T. [Center for Superconductivity, Spintronics and Surface Science, Department of Physics and Chemistry, Technical University of Cluj-Napoca, Str. Memorandumului No. 28, RO-400114 Cluj-Napoca (Romania); Tiusan, C. [Center for Superconductivity, Spintronics and Surface Science, Department of Physics and Chemistry, Technical University of Cluj-Napoca, Str. Memorandumului No. 28, RO-400114 Cluj-Napoca (Romania); Institut Jean Lamour, CNRS, Lorraine Université, BP 70239, F-54506 Vandoeuvre (France)

    2015-01-14

    Co{sub 2}FeAl (CFA) thin films of various thicknesses (2 nm ≤ d ≤ 50 nm) have been grown on (001) MgO single crystal substrates and then capped with Cr, V, and Ta. Their magnetic and structural properties have been studied by x-ray diffraction (XRD), vibrating sample magnetometry, and broadband microstrip ferromagnetic resonance (MS-FMR). The XRD revealed that the films are epitaxial with the cubic [001] CFA axis normal to the substrate plane and that the chemical order varies from the B2 phase to the A2 phase when decreasing the thickness. The deduced lattice parameters showed that the Cr-capped films exhibit a larger tetragonal distortion, as compared with the films capped with V or Ta. The presence of magnetic dead layers has been observed in CFA samples capped with V and Ta but not in the case of the Cr-capped ones. The effective magnetization, deduced from the fit of MS-FMR measurements, increases (decreases) linearly with the CFA inverse thickness (1/d) for the Cr-capped (Ta-capped) films while it is constant for the V-capped ones. This allows quantifying the perpendicular surface anisotropy coefficients of −0.46 erg/cm{sup 2} and 0.74 erg/cm{sup 2} for Cr and Ta-capped films, respectively. Moreover, the fourfold and the uniaxial anisotropy fields, measured in these films, showed different trends with a respect to the CFA inverse thickness. This allows inferring that a non-negligible part of the fourfold magnetocrystalline term is of interfacial origin.

  6. A novel approach for the synthesis of ultrathin silica-coated iron oxide nanocubes decorated with silver nanodots (Fe3O4/SiO2/Ag) and their superior catalytic reduction of 4-nitroaniline

    Science.gov (United States)

    Abbas, Mohamed; Torati, Sri Ramulu; Kim, Cheolgi

    2015-07-01

    A novel sonochemical approach was developed for the synthesis of different core/shell structures of Fe3O4/SiO2/Ag nanocubes and SiO2/Ag nanospheres. The total reaction time of the three sonochemical steps for the synthesis of Fe3O4/SiO2/Ag nanocubes is shorter than that of the previously reported methods. A proposed reaction mechanism for the sonochemical functionalization of the silica and the silver on the surface of magnetic nanocubes was discussed in detail. Transmission electron microscopy revealed that the surface of Fe3O4/SiO2 nanocubes was decorated with small Ag nanoparticles of approximately 10-20 nm in size, and the energy dispersive spectroscopy mapping analysis confirmed the morphology of the structure. Additionally, X-ray diffraction data were used to confirm the formation of both phases of a cubic inverse spinel structure for Fe3O4 and bcc structures for Ag in the core/shell structure of the Fe3O4/SiO2/Ag nanocubes. The as-synthesized Fe3O4/SiO2/Ag nanocubes showed a high efficiency in the catalytic reduction reaction of 4-nitroaniline to 4-phenylenediamine and a better performance than both Ag and SiO2/Ag nanoparticles. The grafted silver catalyst was recycled and reused at least fifteen times without a significant loss of catalytic efficiency.A novel sonochemical approach was developed for the synthesis of different core/shell structures of Fe3O4/SiO2/Ag nanocubes and SiO2/Ag nanospheres. The total reaction time of the three sonochemical steps for the synthesis of Fe3O4/SiO2/Ag nanocubes is shorter than that of the previously reported methods. A proposed reaction mechanism for the sonochemical functionalization of the silica and the silver on the surface of magnetic nanocubes was discussed in detail. Transmission electron microscopy revealed that the surface of Fe3O4/SiO2 nanocubes was decorated with small Ag nanoparticles of approximately 10-20 nm in size, and the energy dispersive spectroscopy mapping analysis confirmed the morphology of the

  7. Experimental observations elucidating the mechanisms of structural bcc-hcp transformations in ?-Ti alloys

    NARCIS (Netherlands)

    Van Bohemen, S.M.C.; Sietsma, J.; Van der Zwaag, S.

    2006-01-01

    The formation mechanisms of two hcp ? phase morphologies in Ti-4.5Fe-6.8Mo-1.5Al have been investigated by optical microscopy (OM), atomic force microscopy (AFM), electron probe microanalysis (EPMA) and dilatometry. At relatively high temperatures primary ? forms predominantly on prior bcc ? grain

  8. Oxygen vacancy induced magnetization switching in Fe{sub 3}O{sub 4} epitaxial ultrathin films on GaAs(100)

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhaocong, E-mail: zhaocong.huang@gmail.com [Department of Physics, Southeast University, Nanjing 211189 (China); Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); School of Electronic Science and Engineering, Southeast University, Nanjing 210096 (China); Chen, Qian; Zhai, Ya, E-mail: yazhai@seu.edu.cn, E-mail: jlwang@seu.edu.cn; Wang, Jinlan, E-mail: yazhai@seu.edu.cn, E-mail: jlwang@seu.edu.cn [Department of Physics, Southeast University, Nanjing 211189 (China); Xu, Yongbing [Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); Wang, Baoping [School of Electronic Science and Engineering, Southeast University, Nanjing 210096 (China)

    2015-05-04

    The magnetic and transport properties of half metallic Fe{sub 3}O{sub 4}, which are sensitive to the stoichiometry, are the key issue for applications in spintronics. An anomalous enlargement of the saturation magnetic moment is found in a relatively thick sample of epitaxial Fe{sub 3}O{sub 4} film by post-growth oxidation method. The investigation of the thickness dependence of magnetic moment suggests that the enhanced magnetism moment may come from the existence of oxygen vacancies. First-principles calculations reveal that with oxygen vacancies in Fe{sub 3}O{sub 4} crystal the spin of Fe ions in the tetrahedron site near the vacancy is much easier to switch parallel to the Fe ions in the octahedron site by temperature disturbance, supported by the temperature dependence of magnetic moment of Fe{sub 3}O{sub 4} films in experiment.

  9. Ab initio theory of noble gas atoms in bcc transition metals.

    Science.gov (United States)

    Jiang, Chao; Zhang, Yongfeng; Gao, Yipeng; Gan, Jian

    2018-06-18

    Systematic ab initio calculations based on density functional theory have been performed to gain fundamental understanding of the interactions between noble gas atoms (He, Ne, Ar and Kr) and bcc transition metals in groups 5B (V, Nb and Ta), 6B (Cr, Mo and W) and 8B (Fe). Our charge density analysis indicates that the strong polarization of nearest-neighbor metal atoms by noble gas interstitials is the electronic origin of their high formation energies. Such polarization becomes more significant with an increasing gas atom size and interstitial charge density in the host bcc metal, which explains the similar trend followed by the unrelaxed formation energies of noble gas interstitials. Upon allowing for local relaxation, nearby metal atoms move farther away from gas interstitials in order to decrease polarization, albeit at the expense of increasing the elastic strain energy. Such atomic relaxation is found to play an important role in governing both the energetics and site preference of noble gas atoms in bcc metals. Our most notable finding is that the fully relaxed formation energies of noble gas interstitials are strongly correlated with the elastic shear modulus of the bcc metal, and the physical origin of this unexpected correlation has been elucidated by our theoretical analysis based on the effective-medium theory. The kinetic behavior of noble gas atoms and their interaction with pre-existing vacancies in bcc transition metals have also been discussed in this work.

  10. Phonon dispersion curves of BCC Ba

    International Nuclear Information System (INIS)

    Mizuki, J.; Stassis, C.; Zarestky, J.

    1985-01-01

    Ba, as well as Sr and Ca, is a divalent alkaline earth metal. At room temperature and ambient pressure, the structure of Ba is bcc, whereas that of Sr and Ca is fcc. Under pressure, the bcc phase of Ba transforms to an hcp structure at 55 kbar. Also, at 37 kbar Ba becomes a superconductor with T/sub c/ = 0.06 K. These properties are highly dependent on the position of the d bands relative to the Fermi level. Experimental investigation of the elastic and lattice dynamical properties of these metals has been hindered by difficulties in growing single crystals. However, recently the authors were able to grow several single crystals of bcc Ba of sufficient volume for inelastic neutron scattering experiments. Some of the results are summarized here

  11. Curie temperature and magnetic phase transition of nanostructured ultrathin Fe/GaAs (001). Size dependence and relevance of dipolar coupling

    Energy Technology Data Exchange (ETDEWEB)

    Meier, Roland

    2009-07-01

    In the present work the impact of lateral patterning of ultrathin ferromagnetic films down to the nanometer range on the magnetic phase transition has been investigated. In this respect on the one hand a size effect on the Curie temperature and, referring to that, the relevance of dipolar coupling were a matter of particular interest. On the other hand the characteristics of the critical behavior itself, becoming apparent by the accurate evaluation of the curvature shape of the magnetization as a function of temperature at T{sub c}, were analyzed with regard to potential and expected size effects. The investigation of similar nanostructures with respect to an effect on Curie temperature respectively phase transition may draw up a correlation. Therefore more than hundred samples were fabricated for this work extensively by means of MBE (Molecular Beam Epitaxy) and ESL (Electron Beam Epitaxy) methods, measured by MOKE (Magneto-Optical Kerr Effect) technique and systematically evaluated. (orig.)

  12. Origin of spin-dependent asymmetries in electron transmission through ultrathin ferromagnetic films

    International Nuclear Information System (INIS)

    Gokhale, M.P.; Mills, D.L.

    1991-01-01

    We present theoretical calculations of exchange asymmetries in the transmission of electrons through ultrathin films of ferromagnetic Fe. The results account nicely for the magnitude of the asymmetries observed by Pappas et al. in photoemission studies of Cu covered by an ultrathin film of Fe. We argue that exchange asymmetry in the transmissivity of the Fe film, rather than the spin dependence of the electron mean free path, is responsible for the effects reported by these authors

  13. Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

    International Nuclear Information System (INIS)

    Rao, S.I.; Varvenne, C.; Woodward, C.; Parthasarathy, T.A.; Miracle, D.; Senkov, O.N.; Curtin, W.A.

    2017-01-01

    Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2〈111〉 dislocations in a randomly-distributed model-BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. Core structure variations along an individual dislocation line are found for a/2〈111〉 screw and edge dislocations. One reason for the core structure variations is the local variation in composition along the dislocation line. Calculated unstable stacking fault energies on the (110) plane as a function of composition vary significantly, consistent with this assessment. Molecular dynamics simulations of the critical glide stress as a function of temperature show significant strengthening, and much shallower temperature dependence of the strengthening, as compared to pure BCC Fe as well as a reference mean-field BCC alloy material of the same overall composition, lattice and elastic constants as the target alloy. Interpretation of the strength versus temperature in terms of an effective kink-pair activation model shows the random alloy to have a much larger activation energy than the mean-field alloy or BCC Fe. This is interpreted as due to the core structure variations along the dislocation line that are often unfavorable for glide in the direction of the load. The configuration of the gliding dislocation is wavy, and significant debris is left behind, demonstrating the role of local composition and core structure in creating kink pinning (super jogs) and/or deflection of the glide plane of the dislocation. - Graphical abstract: Measured critical resolved shear stress scaled by the (111) shear modulus (39 GPa) necessary to achieve on-going glide as a function of temperature, for the a/2[111] screw dislocation in the model BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. The upper and lower bounds of the critical resolved shear stress is shown in the plot. Also shown in is the measured strength for the mean-field A-atom material and BCC Fe as a function of

  14. Ab initio understanding of magnetic properties in Zn2+ substitution of Fe3O4 ultra-thin film with dilute Zn substitution

    Science.gov (United States)

    Huang, Zhaocong; Chen, Qian; Jiang, Sheng; Dong, Shuai; Zhai, Ya

    2018-05-01

    The mechanism of the magnetic properties on the Zn2+ substituted Fe3O4 film have been investigated based on first principle calculations. It is found that the surface effect plays an important role in the occupation of Zn ion, and in turn changes the magnetic moment. It may also destroy the half metallic behavior of Fe3O4 film even if the Zn2+ concentration only is one Zn2+ per unit cell (4%), which is different from that in bulk material.

  15. Premelting hcp to bcc Transition in Beryllium

    Science.gov (United States)

    Lu, Y.; Sun, T.; Zhang, Ping; Zhang, P.; Zhang, D.-B.; Wentzcovitch, R. M.

    2017-04-01

    Beryllium (Be) is an important material with wide applications ranging from aerospace components to x-ray equipment. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp → bcc transition occurs near the melting curve at 0 materials.

  16. Ultrathin Epitaxial Ferromagneticγ-Fe2O3Layer as High Efficiency Spin Filtering Materials for Spintronics Device Based on Semiconductors

    KAUST Repository

    Li, Peng

    2016-06-01

    In spintronics, identifying an effective technique for generating spin-polarized current has fundamental importance. The spin-filtering effect across a ferromagnetic insulating layer originates from unequal tunneling barrier heights for spin-up and spin-down electrons, which has shown great promise for use in different ferromagnetic materials. However, the low spin-filtering efficiency in some materials can be ascribed partially to the difficulty in fabricating high-quality thin film with high Curie temperature and/or partially to the improper model used to extract the spin-filtering efficiency. In this work, a new technique is successfully developed to fabricate high quality, ferrimagnetic insulating γ-Fe2O3 films as spin filter. To extract the spin-filtering effect of γ-Fe2O3 films more accurately, a new model is proposed based on Fowler–Nordheim tunneling and Zeeman effect to obtain the spin polarization of the tunneling currents. Spin polarization of the tunneled current can be as high as −94.3% at 2 K in γ-Fe2O3 layer with 6.5 nm thick, and the spin polarization decays monotonically with temperature. Although the spin-filter effect is not very high at room temperature, this work demonstrates that spinel ferrites are very promising materials for spin injection into semiconductors at low temperature, which is important for development of novel spintronics devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

  17. Enhanced moments in bcc Co{sub 1−x}Mn{sub x} on MgO(001)

    Energy Technology Data Exchange (ETDEWEB)

    Snow, R.J.; Bhatkar, H. [Department of Physics, Montana State University, Bozeman, MT 59715 (United States); N' Diaye, A.T.; Arenholz, E. [Advanced Light Source, Lawrence Berkeley Nat. Labs, Berkeley, CA 94720 (United States); Idzerda, Y.U., E-mail: Idzerda@montana.edu [Department of Physics, Montana State University, Bozeman, MT 59715 (United States)

    2016-12-01

    A 40% enhancement of the Co magnetic moment has been found for thin films of bcc Co{sub 1−x}Mn{sub x} grown by molecular beam epitaxy on a 2 nm bcc Fe buffer layer on MgO(001). Although the bcc phase cannot be stabilized in the bulk, we confirm that it is stable as an epitaxial film in the composition range x=0–0.7. Using X-ray absorption spectroscopy and X-ray magnetic circular dichroism, we show that the Co moment is a maximum of 2.38 μ{sub B} at x=0.24, while the net Mn moment remains roughly constant until x=0.24, then drops steadily. Mn is found to align parallel with Co for all ferromagnetic concentrations, up to x=0.7, where the total moment of the film abruptly collapses to zero, most likely due to the onset of the observed structural instability. - Highlights: • Stabilization of bcc Co{sub 1−x}Mn{sub x} films in the composition range of x=0 to 0.7. • Enhancement of Co moment by 40% from pure bcc Co. • Parallel alignment of Mn moment and Co moment. • Measured the elemental moment of Co and Mn as a function of composition.

  18. Ultrathin Limit of Exchange Bias Coupling at Oxide Multiferroic/Ferromagnetic Interfaces

    NARCIS (Netherlands)

    Huijben, Mark; Yu, P.; Martin, L.W.; Molegraaf, Hajo; Chu, Y.H.; Holcomb, M.B.; Balke, N.; Rijnders, Augustinus J.H.M.; Ramesh, R.

    2013-01-01

    Exchange bias coupling at the multiferroic- ferromagnetic interface in BiFeO3/La0.7Sr0.3MnO3 heterostructures exhibits a critical thickness for ultrathin BiFeO3 layers of 5 unit cells (2 nm). Linear dichroism measurements demonstrate the dependence on the BiFeO3 layer thickness with a strong

  19. Kinetics of self-interstitial migration in bcc and fcc transition metals

    Science.gov (United States)

    Bukkuru, S.; Bhardwaj, U.; Srinivasa Rao, K.; Rao, A. D. P.; Warrier, M.; Valsakumar, M. C.

    2018-03-01

    Radiation damage is a multi-scale phenomenon. A thorough understanding of diffusivities and the migration energies of defects is a pre-requisite to quantify the after-effects of irradiation. We investigate the thermally activated mobility of self-interstitial atom (SIA) in bcc transition metals Fe, Mo, Nb and fcc transition metals Ag, Cu, Ni, Pt using molecular dynamics (MD) simulations. The self-interstitial diffusion involves various mechanisms such as interstitialcy, dumbbell or crowdion mechanisms. Max-Space Clustering (MSC) method has been employed to identify the interstitial and its configuration over a wide range of temperature. The self-interstitial diffusion is Arrhenius like, however, there is a slight deviation at high temperatures. The migration energies, pre-exponential factors of diffusion and jump-correlation factors, obtained from these simulations can be used as inputs to Monte Carlo simulations of defect transport. The jump-correlation factor shows the degree of preference of rectilinear or rotational jumps. We obtain the average jump-correlation factor of 1.4 for bcc metals and 0.44 for fcc metals. It indicates that rectilinear jumps are preferred in bcc metals and rotational jumps are preferred in fcc metals.

  20. Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

    Science.gov (United States)

    Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.; Wang, Zhiguang

    2017-09-01

    The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (family of 〈 hkl 〉 loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the 〈 111 〉 crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

  1. Allotropic transformation bcc in equilibrium hcp in zirconium

    International Nuclear Information System (INIS)

    Akhtar, A.

    1976-01-01

    The allotropic transformation hcp(α) in equilibrium bcc(β) was examined in crystal bar zirconium. The β → α transformation is massive type in melt grown crystals of β--Zr. Upon thermal cycling through α → β → α the bcc → hcp transformation occurs frequently through a shear process and less frequently through a massive transformation. The presence of α → β transformation substructure may favor the operation of the shear mode. The hcp → bcc phase change occurs through a massive transformation. A lack of transformation memory is associated with the process of thermal cycling. 11 fig., 3 tables

  2. Field emission mechanism from a single-layer ultra-thin semiconductor film cathode

    International Nuclear Information System (INIS)

    Duan Zhiqiang; Wang Ruzhi; Yuan Ruiyang; Yang Wei; Wang Bo; Yan Hui

    2007-01-01

    Field emission (FE) from a single-layer ultra-thin semiconductor film cathode (SUSC) on a metal substrate has been investigated theoretically. The self-consistent quantum FE model is developed by synthetically considering the energy band bending and electron scattering. As a typical example, we calculate the FE properties of ultra-thin AlN film with an adjustable film thickness from 1 to 10 nm. The calculated results show that the FE characteristic is evidently modulated by varying the film thickness, and there is an optimum thickness of about 3 nm. Furthermore, a four-step FE mechanism is suggested such that the distinct FE current of a SUSC is rooted in the thickness sensitivity of its quantum structure, and the optimum FE properties of the SUSC should be attributed to the change in the effective potential combined with the attenuation of electron scattering

  3. Ultrathin metallized PBI paper

    Science.gov (United States)

    Chenevey, E. C.

    1978-01-01

    A study to determine the feasibility of preparing ultrathin papers with a target weight of 3.5 g/m squared from polybenzimidazole (PBI) fibrids was undertaken. Small hand sheets of target weight were fabricated. They were light brown, low density materials with sufficient strength to be readily handleable. Characterization of these sheets included strength, fold endurance, thermal gravimetric analysis in air and nitrogen and photomicrographs. Two different batches of PBI fibrids were studied and differences in fabrication performance were noted. In neither case could target weight papers be prepared using conventional paper making techniques.

  4. Pivotal ERIVANCE basal cell carcinoma (BCC) study: 12-month update of efficacy and safety of vismodegib in advanced BCC.

    Science.gov (United States)

    Sekulic, Aleksandar; Migden, Michael R; Lewis, Karl; Hainsworth, John D; Solomon, James A; Yoo, Simon; Arron, Sarah T; Friedlander, Philip A; Marmur, Ellen; Rudin, Charles M; Chang, Anne Lynn S; Dirix, Luc; Hou, Jeannie; Yue, Huibin; Hauschild, Axel

    2015-06-01

    Primary analysis from the pivotal ERIVANCE BCC study resulted in approval of vismodegib, a Hedgehog pathway inhibitor indicated for treatment of adults with metastatic or locally advanced basal cell carcinoma (BCC) that has recurred after surgery or for patients who are not candidates for surgery or radiation. An efficacy and safety analysis was conducted 12 months after primary analysis. This was a multinational, multicenter, nonrandomized, 2-cohort study in patients with measurable and histologically confirmed locally advanced or metastatic BCC taking oral vismodegib (150 mg/d). Primary outcome measure was objective response rate (complete and partial responses) assessed by independent review facility. After 12 months of additional follow-up, median duration of exposure to vismodegib was 12.9 months. Objective response rate increased from 30.3% to 33.3% in patients with metastatic disease, and from 42.9% to 47.6% in patients with the locally advanced form. Median duration of response in patients with locally advanced BCC increased from 7.6 to 9.5 months. No new safety signals emerged with extended treatment duration. Limitations include low prevalence of advanced BCC and challenges of designing a study with heterogenous manifestations. The 12-month update of the study confirms the efficacy and safety of vismodegib in management of advanced BCC. Copyright © 2015 American Academy of Dermatology, Inc. Published by Elsevier Inc. All rights reserved.

  5. Atomistic studies of nucleation of He clusters and bubbles in bcc iron

    International Nuclear Information System (INIS)

    Yang, L.; Deng, H.Q.; Gao, F.; Heinisch, H.L.; Kurtz, R.J.; Hu, S.Y.; Li, Y.L.; Zu, X.T.

    2013-01-01

    Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800 K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b = 1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372 appm, while the He-V cluster–loop complexes with more than one He-V cluster are formed at the He concentration of 2057 appm and larger

  6. Properties of grain boundaries in BCC iron and iron-based alloys

    International Nuclear Information System (INIS)

    Terentyev, D.; He, Xinfu

    2010-01-01

    The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

  7. Properties of grain boundaries in BCC iron and iron-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Terentyev, D.; He, Xinfu

    2010-08-15

    The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

  8. Ultrathin (Nanocellulose Paper

    Science.gov (United States)

    Wu, Jingda; Lin, Lih Y.

    2017-03-01

    Conventional approaches to flexible optoelectronic devices typically require depositing the active materials on external substrates. This is mostly due to the weak bonding between individual molecules or nanocrystals in the active materials, which prevents sustaining a freestanding thin film. Herein we demonstrate an ultrathin freestanding ZnO quantum dot (QD) active layer with nanocellulose structuring, and its corresponding device fabrication method to achieve substrate-free flexible optoelectronic devices. The ultrathin ZnO QD-nanocellulose composite is obtained by hydrogel transfer printing and solvent-exchange processes to overcome the water capillary force which is detrimental to achieving freestanding thin films. We achieved an active nanocellulose paper with ~550 nm thickness, and >91% transparency in the visible wavelength range. The film retains the photoconductive and photoluminescent properties of ZnO QDs and is applied towards substrate-free Schottky photodetector applications. The device has an overall thickness of ~670 nm, which is the thinnest freestanding optoelectronic device to date, to the best of our knowledge, and functions as a self-powered visible-blind ultraviolet photodetector. This platform can be readily applied to other nano materials as well as other optoelectronic device applications.

  9. Ultrathin Shape Change Smart Materials.

    Science.gov (United States)

    Xu, Weinan; Kwok, Kam Sang; Gracias, David H

    2018-02-20

    With the discovery of graphene, significant research has focused on the synthesis, characterization, and applications of ultrathin materials. Graphene has also brought into focus other ultrathin materials composed of organics, polymers, inorganics, and their hybrids. Together, these ultrathin materials have unique properties of broad significance. For example, ultrathin materials have a large surface area and high flexibility which can enhance conformal contact in wearables and sensors leading to improved sensitivity. When porous, the short transverse diffusion length in these materials allows rapid mass transport. Alternatively, when impermeable, these materials behave as an ultrathin barrier. Such controlled permeability is critical in the design of encapsulation and drug delivery systems. Finally, ultrathin materials often feature defect-free and single-crystal-like two-dimensional atomic structures resulting in superior mechanical, optical, and electrical properties. A unique property of ultrathin materials is their low bending rigidity, which suggests that they could easily be bent, curved, or folded into 3D shapes. In this Account, we review the emerging field of 2D to 3D shape transformations of ultrathin materials. We broadly define ultrathin to include materials with a thickness below 100 nm and composed of a range of organic, inorganic, and hybrid compositions. This topic is important for both fundamental and applied reasons. Fundamentally, bending and curving of ultrathin films can cause atomistic and molecular strain which can alter their physical and chemical properties and lead to new 3D forms of matter which behave very differently from their planar precursors. Shape change can also lead to new 3D architectures with significantly smaller form factors. For example, 3D ultrathin materials would occupy a smaller space in on-chip devices or could permeate through tortuous media which is important for miniaturized robots and smart dust applications. Our

  10. Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers

    Czech Academy of Sciences Publication Activity Database

    Friák, Martin; Šob, Mojmír; Vitek, V.

    2001-01-01

    Roč. 63, č. 5 (2001), s. čl. 052405 ISSN 0163-1829 R&D Projects: GA ČR GA106/99/1178; GA MŠk ME 264 Grant - others:-(US) INT9605232 Institutional research plan: CEZ:AV0Z2041904 Keywords : ultrathin fe films * generalized-gradient approximation * energy-electron-diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.070, year: 2001

  11. bcc-to-hcp transformation pathways for iron versus hydrostatic pressure: Coupled shuffle and shear modes

    Science.gov (United States)

    Liu, J. B.; Johnson, D. D.

    2009-04-01

    Using density-functional theory, we calculate the potential-energy surface (PES), minimum-energy pathway (MEP), and transition state (TS) versus hydrostatic pressure σhyd for the reconstructive transformation in Fe from body-centered cubic (bcc) to hexagonal closed-packed (hcp). At fixed σhyd , the PES is described by coupled shear (γ) and shuffle (η) modes and is determined from structurally minimized hcp-bcc energy differences at a set of (η,γ) . We fit the PES using symmetry-adapted polynomials, permitting the MEP to be found analytically. The MEP is continuous and fully explains the transformation and its associated magnetization and volume discontinuity at TS. We show that σhyd (while not able to induce shear) dramatically alters the MEP to drive reconstruction by a shuffle-only mode at ≤30GPa , as observed. Finally, we relate our polynomial-based results to Landau and nudge-elastic-band approaches and show they yield incorrect MEP in general.

  12. Shear instabilities in perfect bcc crystals during simulated tensile tests

    Czech Academy of Sciences Publication Activity Database

    Černý, M.; Šesták, P.; Pokluda, J.; Šob, Mojmír

    2013-01-01

    Roč. 87, č. 1 (2013), 014117/1-014117/4 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP108/12/0311 Institutional support: RVO:68081723 Keywords : instabilities * tensile test * bcc metals * ab initio calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  13. Ultrathin Planar Graphene Supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Jingsong [ORNL; Meunier, Vincent [ORNL; Sumpter, Bobby G [ORNL; Ajayan, Pullikel M [Rice University; Yoo, Jung Joon [KAIST, Daejeon, Republic of Korea; Balakrishnan, Kaushik [Rice University; Srivastava, Anchal [Rice University; Conway, Michelle [Rice University; Reddy, Arava Leela Mohan [Rice University; Yu, Jin [Rice University; Vajtai, Robert [Rice University

    2011-01-01

    With the advent of atomically thin and flat layers of conducting materials such as graphene, new designs for thin film energy storage devices with good performance have become possible. Here, we report an in-plane fabrication approach for ultrathin supercapacitors based on electrodes comprised of pristine graphene and multi-layer reduced graphene oxide. The in-plane design is straightforward to implement and exploits efficiently the surface of each graphene layer for energy storage. The open architecture and the effect of graphene edges enable even the thinnest of devices, made from as grown 1-2 graphene layers, to reach specific capacities up to 80 Fcm-2. While, much higher (394 Fcm-2) specific capacities are observed in case of multi-layered graphene oxide electrodes, owing to the better utilization of the available electrochemical surface area. The performances of devices with pristine as well as thicker graphene based structures are examined using a combination of experiments and model calculations. The demonstrated all solid-state supercapacitors provide a prototype for a broad range of thin-film based energy storage devices.

  14. Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.; Wang, Zhiguang

    2017-09-01

    The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (<600 K), which consists of <110> dumbbells and <111> crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [hkl] interstitial loop within the family of loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the <111> crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

  15. Calculation of elastic constants of BCC transition metals: tight-binding recursion method

    International Nuclear Information System (INIS)

    Masuda, K.; Hamada, N.; Terakura, K.

    1984-01-01

    The elastic constants of BCC transition metals (Fe, Nb, Mo and W) are calculated by using the tight-binding d band and the Born-Mayer repulsive potential. Introducing a small distortion characteristic to C 44 (or C') elastic deformation and calculating the energy change up to second order in the atomic displacement, the shear elastic constants C 44 and C' are determined. The elastic constants C 11 and C 12 are then calculated by using the relations B=1/3(C 11 + 2C 12 ) and C'=1/2(C 11 -C 12 ), where B is the bulk modulus. In general, the agreement between the present results and the experimental values is satisfactory. The characteristic elasticity behaviour, i.e. the strong Nsub(d) (number of d electrons) dependence of the observed anisotropy factor A=C 44 /C', will also be discussed. (author)

  16. Fe/V and Fe/Co (0 0 1) superlattices: growth, anisotropy, magnetisation and magnetoresistance

    International Nuclear Information System (INIS)

    Nordblad, P.; Broddefalk, A.; Mathieu, R.; Blomqvist, P.; Eriksson, O.; Waeppling, R.

    2003-01-01

    Some physical properties of BCC Fe/V and Fe/Co (0 0 1) superlattices are reviewed. The dependence of the magnetic anisotropy on the in-plane strain introduced by the lattice mismatch between Fe and V is measured and compared to a theoretical derivation. The dependence of the magnetic anisotropy (and saturation magnetisation) on the layer thickness ratio Fe/Co is measured and a value for the anisotropy of BCC Co is derived from extrapolation. The interlayer exchange coupling of Fe/V superlattices is studied as a function of the V layer thickness (constant Fe thickness) and layer thickness of Fe (constant V thickness). A region of antiferromagnetic coupling and GMR is found for V thicknesses 12-14 monolayers. However, surprisingly, a 'cutoff' of the antiferromagnetic coupling and GMR is found when the iron layer thickness exceeds about 10 monolayers

  17. Magnetic anisotropies in ultrathin bismuth iron garnet films

    International Nuclear Information System (INIS)

    Popova, Elena; Franco Galeano, Andres Felipe; Deb, Marwan; Warot-Fonrose, Bénédicte; Kachkachi, Hamid; Gendron, François; Ott, Frédéric

    2013-01-01

    Ultrathin bismuth iron garnet Bi 3 Fe 5 O 12 films were grown epitaxially on (001)-oriented gadolinium gallium garnet substrates. Film thickness varied from two to three dozens of unit cells. Bi 3 Fe 5 O 12 films grow pseudomorphically on substrates up to a thickness of 20 nm, and then a lattice relaxation occurs. Magnetic properties of the films were studied as a function of bismuth iron garnet thickness. The magnetization and cubic anisotropy decrease with decreasing film thickness. The uniaxial magnetocrystalline anisotropy is constant for all film thicknesses. For two unit cell thick films, the easy magnetization axis changes from in-plane to perpendicular to the plane direction. Such a reorientation takes place as a result of the competition of constant uniaxial perpendicular anisotropy with weakening film magnetization. - Highlights: ► Ultrathin Bi 3 Fe 5 O 12 films were grown epitaxially on structure-matching substrates. ► Magnetic properties of Bi 3 Fe 5 O 12 were studied down to the thickness of 2.5 nm. ► Reorientation of easy magnetization axis as a function of film thickness was observed

  18. Magnetic anisotropies in ultrathin bismuth iron garnet films

    Energy Technology Data Exchange (ETDEWEB)

    Popova, Elena, E-mail: popova@physique.uvsq.fr [Groupe d' Etude de la Matière Condensée (GEMaC), CNRS/Université de Versailles-Saint-Quentin, 45 Avenue des Etats-Unis, 78035 Versailles (France); Franco Galeano, Andres Felipe [Laboratoire PROcédés, Matériaux et Energie Solaire (PROMES), CNRS/Université de Perpignan Via Domitia, 52 Avenue Paul Alduy, 66860 Perpignan (France); Deb, Marwan [Groupe d' Etude de la Matière Condensée (GEMaC), CNRS/Université de Versailles-Saint-Quentin, 45 Avenue des Etats-Unis, 78035 Versailles (France); Warot-Fonrose, Bénédicte [Centre d' Elaboration de Matériaux et d' Etudes Structurales (CEMES), CNRS, 29 rue Jeanne Marvig, 31055 Toulouse (France); Transpyrenean Associated Laboratory for Electron Microscopy (TALEM), CEMES-INA, CNRS–Universidad de Zaragoza (Spain); Kachkachi, Hamid [Laboratoire PROcédés, Matériaux et Energie Solaire (PROMES), CNRS/Université de Perpignan Via Domitia, 52 Avenue Paul Alduy, 66860 Perpignan (France); Gendron, François [Institut des NanoSciences de Paris (INSP), CNRS/Université Pierre et Marie Curie-Paris 6, 4 place Jussieu, Boîte courrier 840, 75252 Paris Cedex 05 (France); Ott, Frédéric [Laboratoire Léon Brillouin (LLB), CNRS/CEA, Bâtiment 563, CEA Saclay, 91191 Gif sur Yvette Cedex (France); and others

    2013-06-15

    Ultrathin bismuth iron garnet Bi{sub 3}Fe{sub 5}O{sub 12} films were grown epitaxially on (001)-oriented gadolinium gallium garnet substrates. Film thickness varied from two to three dozens of unit cells. Bi{sub 3}Fe{sub 5}O{sub 12} films grow pseudomorphically on substrates up to a thickness of 20 nm, and then a lattice relaxation occurs. Magnetic properties of the films were studied as a function of bismuth iron garnet thickness. The magnetization and cubic anisotropy decrease with decreasing film thickness. The uniaxial magnetocrystalline anisotropy is constant for all film thicknesses. For two unit cell thick films, the easy magnetization axis changes from in-plane to perpendicular to the plane direction. Such a reorientation takes place as a result of the competition of constant uniaxial perpendicular anisotropy with weakening film magnetization. - Highlights: ► Ultrathin Bi{sub 3}Fe{sub 5}O{sub 12} films were grown epitaxially on structure-matching substrates. ► Magnetic properties of Bi{sub 3}Fe{sub 5}O{sub 12} were studied down to the thickness of 2.5 nm. ► Reorientation of easy magnetization axis as a function of film thickness was observed.

  19. Layered Ultrathin Coherent Structures (LUCS)

    International Nuclear Information System (INIS)

    Schuller, I.K.; Falco, C.M.

    1979-01-01

    A new class of superconducting materials, Layered Ultrathin Coherent Structures (LUCS) are described. These materials are produced by sequentially depositing ultrathin layers of materials using high rate magnetron sputtering or thermal evaporation. Strong evidence is presented that layers as thin as 10 A can be prepared in this fashion. Resistivity data indicates that the mean free path is layer thickness limited. A strong disagreement is found between the experimentally measured transition temperatures T/sub c/ and the T/sub c/'s calculated using the Cooper limit approximation. This is interpreted as a change in the band structure or the phonon structure of the material due to layering or to surfaces

  20. High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

    International Nuclear Information System (INIS)

    Kellar, S.A.; Lawrence Berkeley National Lab., CA

    1997-05-01

    This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f 7/5 core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining on top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 ± 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 ± 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 ± 0.02 A and 0.30 ± 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements to the hemispherical electron-energy analyzer are also discussed

  1. High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Kellar, S.A. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Advanced Light Source Div.

    1997-05-01

    This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f{sub 7/5} core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining on top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 {+-} 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 {+-} 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 {+-} 0.02 A and 0.30 {+-} 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements to the hemispherical electron-energy analyzer are also discussed.

  2. Oxide ultrathin films science and technology

    CERN Document Server

    Pacchioni, Gianfranco

    2012-01-01

    A wealth of information in one accessible book. Written by international experts from multidisciplinary fields, this in-depth exploration of oxide ultrathin films covers all aspects of these systems, starting with preparation and characterization, and going on to geometrical and electronic structure, as well as applications in current and future systems and devices. From the Contents: Synthesis and Preparation of Oxide Ultrathin Films Characterization Tools of Oxide Ultrathin Films Ordered Oxide Nanostructures on Metal Surfaces Unusual Properties of Oxides and Other Insulators in the Ultrathin Limit Silica and High-K Dielectrics Thin Films in Microelectronics Oxide Passive Films and Corrosion Protection Oxide Films as Catalytic Materials and as Models of Real Catalysts Oxide Films in Spintronics Oxide Ultrathin Films in Solid Oxide Fuel Cells Transparent Conducting and Chromogenic Oxide Films as Solar Energy Materials Oxide Ultrathin Films in Sensor Applications Ferroelectricity in Ultrathin Film Capacitors T...

  3. Novel self-organization mechanism in ultrathin liquid films: theory and experiment.

    Science.gov (United States)

    Trice, Justin; Favazza, Christopher; Thomas, Dennis; Garcia, Hernando; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

    2008-07-04

    When an ultrathin metal film of thickness h (h*, in contrast to the classical spinodal dewetting behavior where Lambda increases monotonically as h2. These predictions agree well with experimental observations for Co and Fe films on SiO2.

  4. Strong, Ductile, and Thermally Stable bcc-Mg Nanolaminates.

    Science.gov (United States)

    Pathak, Siddhartha; Velisavljevic, Nenad; Baldwin, J Kevin; Jain, Manish; Zheng, Shijian; Mara, Nathan A; Beyerlein, Irene J

    2017-08-15

    Magnesium has attracted attention worldwide because it is the lightest structural metal. However, a high strength-to-weight ratio remains its only attribute, since an intrinsic lack of strength, ductility and low melting temperature severely restricts practical applications of Mg. Through interface strains, the crystal structure of Mg can be transformed and stabilized from a simple hexagonal (hexagonal close packed hcp) to body center cubic (bcc) crystal structure at ambient pressures. We demonstrate that when introduced into a nanocomposite bcc Mg is far more ductile, 50% stronger, and retains its strength after extended exposure to 200 C, which is 0.5 times its homologous temperature. These findings reveal an alternative solution to obtaining lightweight metals critically needed for future energy efficiency and fuel savings.

  5. Preparation and structural characterization of FeCo epitaxial thin films on insulating single-crystal substrates

    International Nuclear Information System (INIS)

    Nishiyama, Tsutomu; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    FeCo epitaxial films were prepared on MgO(111), SrTiO 3 (111), and Al 2 O 3 (0001) single-crystal substrates by ultrahigh vacuum molecular beam epitaxy. The effects of insulating substrate material on the film growth process and the structures were investigated. FeCo(110) bcc films grow on MgO substrates with two type domains, Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) relationships. On the contrary, FeCo films grown on SrTiO 3 and Al 2 O 3 substrates include FeCo(111) bcc crystal in addition to the FeCo(110) bcc crystals with NW and KS relationships. The FeCo(111) bcc crystal consists of two type domains whose orientations are rotated around the film normal by 180 deg. each other. The out-of-plane and the in-plane lattice spacings of FeCo(110) bcc and FeCo(111) bcc crystals formed on the insulating substrates are in agreement with those of the bulk Fe 50 Co 50 (at. %) crystal with small errors ranging between +0.2% and +0.4%, showing that the strains in the epitaxial films are very small.

  6. Pre-melting hcp to bcc Transition in Beryllium

    OpenAIRE

    Lu, Y.; Sun, T.; Zhang, Ping.; Zhang, P.; Zhang, D. -B.; Wentzcovitch, R. M.

    2017-01-01

    Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

  7. Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

    Science.gov (United States)

    Bukkuru, S.; Bhardwaj, U.; Warrier, M.; Rao, A. D. P.; Valsakumar, M. C.

    2017-02-01

    Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values "r" to the lattice constant "a" lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods.

  8. Welding and joining of single crystals of BCC refractory metals

    International Nuclear Information System (INIS)

    Hiraoka, Yutaka; Fujii, Tadayuki

    1989-01-01

    Welding and joining is one of key technologies for the wider utilizations of a material. In the present work, the applicability of welding and joining for a single crystal of BCC refractory metal was investigated. Electron-beam welding and tungsten-inert-gas welding by a melt-run technique, and high-temperature brazing by using brazing metals such as Mo-40%Ru alloy, vanadium or platinum were conducted for molybdenum single crystal which had been prepared by means of secondary recrystallization. 12 refs.,12 figs., 2 tabs. (Author)

  9. Ultra-thin chip technology and applications

    CERN Document Server

    2010-01-01

    Ultra-thin chips are the "smart skin" of a conventional silicon chip. This book shows how very thin and flexible chips can be fabricated and used in many new applications in microelectronics, microsystems, biomedical and other fields. It provides a comprehensive reference to the fabrication technology, post processing, characterization and the applications of ultra-thin chips.

  10. Strain ordering in BCC metals and the associated anelasticity

    International Nuclear Information System (INIS)

    Dattagupta, S.; Ranganathan, R.; Balakrishnan, R.

    1982-01-01

    The BCC to BCT transformation is thought to occur as a consequence of strain ordering due to the interaction between impurity interstitials. A Hamiltonian is given, which involves the interaction energies between the strain fields of the interstitials belonging to three distinct sublattices. In the BCT phase, one of the sublattices is preferentially occupied. The free energy of the system is calculated in the mean field approximation. In this, the BCC to BCT transformation is found to be a first-order transition at a temperature Tsub(p) that is proportional to the concentration of the interstitials and certain basic interaction parameters. The anelastic behaviour of the interacting interstitials is then studied in the region T > Tsub(p). From the anelastic strain, which is proportional to the order parameter associated with the phase transition, the static compliance is obtained. The latter obeys a Curie-Weiss type of law. The creep function, which determines the response to a constant applied stress, is found to exhibit viscous behaviour near Tsub(p). From the creep function, the frequency-dependent compliance and the internal friction are evaluated. The results predict a shift and a broadening of the internal friction peak as Tsub(p) is approached from above. The features show qualitative resemblance with the recent data on Ta-O. (author)

  11. Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

    International Nuclear Information System (INIS)

    Bukkuru, S.; Bhardwaj, U.; Warrier, M.; Rao, A.D.P.; Valsakumar, M.C.

    2017-01-01

    Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values “r” to the lattice constant “a” lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods. - Highlights: • Max-Space Clustering (MSC) method is developed to identify interstitials in crystals. • MSC provides a structured way to identify the temperature dependent cut-off radius. • It is compared with widely used sphere methods and found to be better. • MSC coupled with graph tree optimization can be used to obtain diffusion trajectory. • Cascade simulations of Fe, W are carried out and results are compared with various methods.

  12. Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Bukkuru, S., E-mail: srinivasaraobukkuru@gmail.com [Dept. of Nuclear Physics, Andhra University, Visakhapatnam 530003 (India); Bhardwaj, U., E-mail: haptork@gmail.com [Computational Analysis Division, BARC, Visakhapatnam 530012, Andhra Pradesh (India); Warrier, M., E-mail: manoj.warrier@gmail.com [Computational Analysis Division, BARC, Visakhapatnam 530012, Andhra Pradesh (India); Rao, A.D.P., E-mail: adp_rao_99@yahoo.com [Dept. of Nuclear Physics, Andhra University, Visakhapatnam 530003 (India); Valsakumar, M.C., E-mail: mc.valsakumar@gmail.com [IIT Palakkad, Kozhippara P.O., Palakkad 678557, Kerala (India)

    2017-02-15

    Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values “r” to the lattice constant “a” lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods. - Highlights: • Max-Space Clustering (MSC) method is developed to identify interstitials in crystals. • MSC provides a structured way to identify the temperature dependent cut-off radius. • It is compared with widely used sphere methods and found to be better. • MSC coupled with graph tree optimization can be used to obtain diffusion trajectory. • Cascade simulations of Fe, W are carried out and results are compared with various methods.

  13. SIMS as a new methodology to depth profile helium in as-implanted and annealed pure bcc metals?

    Energy Technology Data Exchange (ETDEWEB)

    Gorondy-Novak, S. [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France); Jomard, F. [Groupe d' Etude de la Matière Condensée, CNRS, UVSQ, 45 avenue des Etats-Unis, 78035 Versailles cedex (France); Prima, F. [PSL Research University, Chimie ParisTech – CNRS, Institut de Recherche de Chimie Paris, 75005 Paris (France); Lefaix-Jeuland, H., E-mail: helene.lefaix@cea.fr [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France)

    2017-05-01

    Reliable He profiles are highly desirable for better understanding helium behavior in materials for future nuclear applications. Recently, Secondary Ions Mass Spectrometry (SIMS) allowed the characterization of helium distribution in as-implanted metallic systems. The Cs{sup +} primary ion beam coupled with CsHe{sup +} molecular detector appeared to be a promising technique which overcomes the very high He ionization potential. In this study, {sup 4}He depth profiles in pure body centered cubic (bcc) metals (V, Fe, Ta, Nb and Mo) as-implanted and annealed, were obtained by SIMS. All as-implanted samples exhibited a projected range of around 200 nm, in agreement with SRIM theoretical calculations. After annealing treatment, SIMS measurements evidenced the evolution of helium depth profile with temperature. The latter SIMS results were compared to the helium bubble distribution obtained by Transmission Electron Microscopy (TEM). This study confirmed the great potential of this experimental procedure as a He-depth profiling technique in bcc metals. Indeed, the methodology described in this work could be extended to other materials including metallic and non-metallic compounds. Nevertheless, the quantification of helium concentration after annealing treatment by SIMS remains uncertain probably due to the non-uniform ionization efficiency in samples containing large bubbles.

  14. Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

    Energy Technology Data Exchange (ETDEWEB)

    Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

    2016-12-15

    High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

  15. Soft Magnetic Properties of Nanocrystalline Fe-M-(B and/or O)(M=Group IV A, V A Elements) Alloy Films

    OpenAIRE

    Hayakawa, Y.; Makino, A.; Inoue, A.; Masumoto, T.

    1996-01-01

    In Fe-M-(B and/or O)(M=group IV A, V A elements) alloy films, nanocrystalline bcc phase are formed by annealing the amorphous single phase for Fe-M-B films, whereas the bcc nanocrystals are already formed in an as-deposited state for Fe-M-O or Fe-M-B-O) films. Among Fe-M-B films with various M elements, Fe-(Zr, Hf, Nb, Ta)-B alloy films exhibit high saturation magnetization (Is) above 1.4 T and high relative permeability (|μ|) above 1000 at 1MHz. The highest |μ| of 3460 at 1MHz is obtained fo...

  16. The role of edge dislocations in the deformation of BCC metals

    International Nuclear Information System (INIS)

    Lung, C.W.

    1994-08-01

    It was widely accepted that the screw dislocation is responsible for the strong temperature dependence of the yield stresses observed in bcc metals. In this paper, we show the role of edge dislocations in the deformation of bcc metals and point out that in some cases, its main contribution to the yield stress cannot be ignored. (author). 15 refs, 2 figs, 1 tab

  17. Thermodynamic assessment of the La-Fe-O system

    DEFF Research Database (Denmark)

    Povoden-Karadeniz, E.; Grundy, A.N.; Chen, Ming

    2009-01-01

    The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling......-sublattice model for ionic liquids. The calculated La-Fe phase diagram, LaO1.5-FeO x phase diagrams at different oxygen partial pressures, and phase equilibria of the La-Fe-O system at 873, 1073, and 1273 K as a function of oxygen partial pressures are presented....

  18. Comment on 'extrinsic versus intrinsic ferroelectric switching : experimental investigations using ultra-thin PVDF Langmuir-Blodgett films'

    NARCIS (Netherlands)

    Naber, R.C.G.; Blom, P.W.M.; de Leeuw, DM

    2006-01-01

    Previous work on ultra-thin P(VDF-TrFE) Langmuir-Blodgett films has indicated a transition from extrinsic to intrinsic ferroelectric switching. The lack of several key features of intrinsic switching in the experimental work reported by Kliem et al argues against intrinsic switching. In this Comment

  19. Elasticity theory of ultrathin nanofilms

    International Nuclear Information System (INIS)

    Li, Jiangang; Yun, Guohong; Narsu, B; Yao, Haiyan

    2015-01-01

    A self-consistent theoretical scheme for describing the elastic behavior of ultrathin nanofilms (UTNFs) was proposed. Taking into account the lower symmetry of an UTNF compared to its bulk counterpart, additional elastic and magnetoelastic parameters were introduced to model the elasticity rigorously. The applications of current theory to several elastic and magnetoelastic systems gave excellent agreement with experiments. More importantly, the surface elastic and magnetoelastic parameters used to fit the experimental results are physically reasonable and in close agreement with those obtained from experiment and simulation. This fact suggests that the additional elastic (magnetoelastic) constants due to symmetry breaking are of great importance in theoretical description of the mechanical properties of UTNFs. And we proved that the elasticity of UTNFs should be described by a three-dimensional model just including the intrinsic surface and bulk parameters, but not the effective surface parameters. It is believed that the theory reported here is a universal strategy for elasticity and magnetoelasticity of ultrathin films. (paper)

  20. Diffusion of Y and Ti/Zr in bcc iron: A first principles study

    International Nuclear Information System (INIS)

    Murali, D.; Panigrahi, B.K.; Valsakumar, M.C.; Sundar, C.S.

    2011-01-01

    The diffusion of yttrium plays an important role in the kinetics of formation of oxide nanoclusters in oxide dispersion strengthened alloys. Also, the diffusivity of minor alloying elements like Ti and Zr are of special interest as they are crucial for fine dispersion of oxide nanoclusters in the ferritic matrix. These solute atoms occupy substitutional sites in bcc Fe. The diffusion coefficients of these solute atoms were calculated using Le Claire’s nine frequency model involving the vacancy mechanism. We have done detailed density functional theory calculation of the interaction of these solute atoms with vacancies (□) and estimated various migration energy barriers of the vacancies in the presence of these solute atoms using nudged elastic band method. Strikingly, compared with Zr and Ti, Y shows a very large relaxation towards first neighbor vacancy resulting in strong binding with the vacancy. The Y-□ binding energy of 1.45 eV is almost double that of Zr-□ binding energy of 0.78 eV. We have also compared the calculated diffusion coefficients of these solute atoms with the experimental values.

  1. MD and BCA simulations of He and H bombardment of fuzz in bcc elements

    Science.gov (United States)

    Klaver, T. P. C.; Zhang, S.; Nordlund, K.

    2017-08-01

    We present results of MD simulations of low energy He ion bombardment of low density fuzz in bcc elements. He ions can penetrate several micrometers into sparse fuzz, which allows for a sufficient He flux through it to grow the fuzz further. He kinetic energy falls off exponentially with penetration depth. A BCA code was used to carry out the same ion bombardment on the same fuzz structures as in MD simulations, but with simpler, 10 million times faster calculations. Despite the poor theoretical basis of the BCA at low ion energies, and the use of somewhat different potentials in MD and BCA calculations, the ion penetration depths predicted by BCA are only ∼12% less than those predicted by MD. The MD-BCA differences are highly systematic and trends in the results of the two methods are very similar. We have carried out more than 200 BCA calculation runs of ion bombardment of fuzz, in which parameters in the ion bombardment process were varied. For most parameters, the results show that the ion bombardment process is quite generic. The ion species (He or H), ion mass, fuzz element (W, Ta, Mo, Fe) and fuzz element lattice parameter turned out to have a modest influence on ion penetration depths at most. An off-normal angle of incidence strongly reduces the ion penetration depth. Increasing the ion energy increases the ion penetration, but the rate by which ion energy drops off at high ion energies follows the same exponential pattern as at lower energies.

  2. Atomistic modeling of carbon Cottrell atmospheres in bcc iron

    Science.gov (United States)

    Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

    2013-01-01

    Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

  3. An analytic n-body potential for bcc Iron

    Energy Technology Data Exchange (ETDEWEB)

    Pontikis, V. [Commissariat a l' Energie Atomique, DRECAM/LSI, CE de Saclay, Building 524, Room 40B, 91191 Gif-sur-Yvette Cedex (France)]. E-mail: Vassilis.Pontikis@cea.fr; Russier, V. [Centre d' Etudes de Chimie Metallurgique, CNRS UPR2801, 94407 Vitry-sur-Seine (France); Wallenius, J. [Royal Institute of Technology, Department of Nuclear and Reactor Physics, Stockholm (Sweden)

    2007-02-15

    We have developed an analytic n-body phenomenological potential for bcc iron made of two electron-density functionals representing repulsion via the Thomas-Fermi free-electron gas kinetic energy term and attraction via a square root functional similar to the second moment approximation of the tight-binding scheme. Electron-density is given by radial, hydrogen-like orbitals with effective charges taken as adjustable parameters fitted on experimental and ab-initio data. Although the set of adjustable parameters is small, prediction of static and dynamical properties of iron is in excellent agreement with the experiments. Advantages and shortcomings of this model are discussed with reference to published works.

  4. An analytic n-body potential for bcc Iron

    International Nuclear Information System (INIS)

    Pontikis, V.; Russier, V.; Wallenius, J.

    2007-01-01

    We have developed an analytic n-body phenomenological potential for bcc iron made of two electron-density functionals representing repulsion via the Thomas-Fermi free-electron gas kinetic energy term and attraction via a square root functional similar to the second moment approximation of the tight-binding scheme. Electron-density is given by radial, hydrogen-like orbitals with effective charges taken as adjustable parameters fitted on experimental and ab-initio data. Although the set of adjustable parameters is small, prediction of static and dynamical properties of iron is in excellent agreement with the experiments. Advantages and shortcomings of this model are discussed with reference to published works

  5. Neutron spectroscopy of fast hydrogen diffusion in BCC transition metals

    International Nuclear Information System (INIS)

    Richter, D.; Lottner, V.

    1979-01-01

    Quasielastic neutron scattering reveals microscopic details of both the time and space development of the H-diffusion process on an atomic scale. After outlining the method on the example of PdH/sub x/, new results on the jump geometry in bcc metals are surveyed. In particular, the anomalous diffusion behavior of H in Nb, Ta, and V at elevated temperature is emphasized, where correlated jump processes are important. The influence of impurities on the H-diffusion process is demonstrated by experiments performed on NbH/sub x/ doped with nitrogen impurities, which act as trapping centers for the diffusing hydrogen. The results are discussed in terms of a two-state random walk model which includes multiple trapping and detrapping processes. The concentration and temperature dependence of the capture and escape rates of traps are obtained

  6. Moessbauer spectroscopy of Fe-Mn-Cu alloys

    International Nuclear Information System (INIS)

    Paduani, Clederson; Krause, Joao Carlos; Yoschida, M.I. Soares

    2004-01-01

    Full text: Although a continuous series of solid solutions exists between Cu and Mn, Fe and Cu are miscible only a few percent at higher temperatures. In moderately concentrated Cu-Mn alloys the Mn moments are bound to the long ranged antiferromagnetic order and the perpendicular components form an X-Y spin glass. Copper alloys are largely employed in various industrial applications. In this work we study the magnetic properties of iron-rich disordered Fe-Mn-Cu alloys with the bcc structure with the experimental techniques of X-ray diffraction (XRD), Moessbauer spectroscopy (MS) and thermogravimetry (TGA). We investigate the formation of a solid solution with the bcc structure as well as the effect of the composition on the structural and magnetic properties of these alloys. A Rietveld analysis of the XRD diffractograms indicate that all prepared samples are single phase and are well crystallized with a bcc structure. (author)

  7. The incidence of metastatic basal cell carcinoma (mBCC) in Denmark, 1997-2010.

    Science.gov (United States)

    Nguyen-Nielsen, Mary; Wang, Lisa; Pedersen, Lars; Olesen, Anne Braae; Hou, Jeannie; Mackey, Howard; McCusker, Margaret; Basset-Seguin, Nicole; Fryzek, Jon; Vyberg, Mogens

    2015-01-01

    Few data exist on the occurrence of metastatic basal cell carcinoma (mBCC). To identify all cases of mBCC in Denmark over a 14-year period. We searched the Danish National Patient Registry covering all Danish hospitals, the Danish Cancer Registry, the National Pathology Registry and the Causes of Death Registry during the period 1997 to 2010 for potential cases of mBCC registered according to the International classification of diseases ICD-10 and the International Systemized Nomenclature of Medicine (SNOMED). We identified 126,627 patients with a history of primary basal cell carcinoma (BCC) in the registries during the 14-year study period. Using case identifications from the four registries, a total of 170 potential mBCC cases were identified. However, after a pathology review, only five cases could be confirmed, of which three were basosquamous carcinomas. The 14-year cumulative incidence proportion of mBCC was 0.0039% (95% CI 0.0016-0.0083) among individuals with a history of previous BCC (n = 126,627) and 0.0001% (95% CI 0.0000-0.0002) in the general population. MBCC is a rare disease and only a small proportion of potential cases identified in automated clinical databases or registries can be confirmed by pathology and medical record review.

  8. Biosensors Based on Ultrathin Film Composite Membranes

    Science.gov (United States)

    1994-01-25

    composite membranes should have a number C •’ of potential advantages including fast response time, simplicity of construction, and applicability to a number...The support membrane for the ultrathin film composite was an Anopore ( Alltech Associates) microporous alumina filter, these membranes are 55 Pm thick...constant 02 concentration in this solution. Finally, one of the most important potential advantage of a sensor based on an ultrathin film composite

  9. Vibrational properties of vacancy in bcc transition metals using ...

    Indian Academy of Sciences (India)

    The calculated results of the formation entropy of the vacancy compared well with other available ... for Fe, Mo and W transition metals employing a third-neighbour model. ... For the atomic electron density we have chosen a power law: f (r) = fe.

  10. Absence of evidence of decomposition of Fe2B during mechanical grinding

    International Nuclear Information System (INIS)

    Balogh, J.; Horvath, Z.E.; Pusztai, T.; Kemeny, T.; Vincze, I.

    1998-01-01

    The appearance of bcc Fe after grinding Fe 2 B for a long time has been formerly interpreted as being due to the decomposition of the thermodynamically stable intermetallic compound when the crystallite size is reduced to a few nanometers. The results of our control experiments performed by tungsten-carbide milling tools show that the appearance of bcc Fe has no relation to the grain size but should be connected to contamination when tools made of steel are used to pulverize this material. Moessbauer spectroscopy was applied to search for the appearance of bcc Fe while changes in the grain size were checked by x-ray diffraction and transmission electron microscopy. copyright 1998 The American Physical Society

  11. Partial amorphization of an α-FeCr alloy by ball-milling

    International Nuclear Information System (INIS)

    Loureiro, J. M.; Costa, B. F. O.; Caer, G. Le; Delcroix, P.

    2008-01-01

    The structural changes of near-equiatomic α-FeCr alloys, ground in a vibratory mill in vacuum and in argon, were followed as a function of milling time. An amorphous phase forms in both cases but at a much faster rate when milling in argon than when milling in vacuum. Amorphisation by ball-milling of α-FeCr alloys is deduced to be an intrinsic phenomenon which is however speeded-up by oxygen. The amorphous phase crystallizes into a bcc Cr-rich phase and a bcc Fe-rich phase when annealed for short times.

  12. Preparation of Fe-Pt perpendicular double-layered media with high electric resistivity backlayer

    International Nuclear Information System (INIS)

    Uchida, Masaru; Suzuki, Toshio; Ouchi, Kazuhiro

    2001-01-01

    High electric resistivity materials, oxide-added Fe-Si, were investigated as a soft-magnetic backlayer for Fe-Pt perpendicular double-layered media. It was found that there is a possibility of using (Fe-Si)-MgO as a backlayer. To promote a hetero-epitaxial growth of ordered Fe-Pt FCT(0 0 1), the backlayer needed a BCC(2 0 0) crystal orientation, in a situation where surface topology also played an important role

  13. Modeling of Structure Effect for Ferroelectric Capacitor Based on Poly(vinylidene fluoride-trifluoroethylene Ultrathin Films

    Directory of Open Access Journals (Sweden)

    Long Li

    2017-12-01

    Full Text Available The characteristics of ferroelectric capacitors with poly(vinylidene fluoride-trifluoroethlene (P(VDF-TrFE films have been studied at different structures of cell electrodes. It is suggested that the effect of electrode structures could induce changes of performance. Remarkably, cells with line electrodes display a better polarization and fatigue resistance than those with flat electrodes. For P(VDF-TrFE ultrathin films with different electrode structures, the models of charge compensation mechanism for depolarization field and domain fatigue decomposition are used to explain the effect of electrode structure. Furthermore, the driving voltage based on normal speed-functionality is designed, and the testing results show that the line electrode structure could induce a robust switching, which is determined by the free charges concentration in active layer. These findings provide an effective route to design the optimum structure for a ferroelectric capacitor based on P(VDF-TrFE copolymer ultrathin film.

  14. Hydrogen diffusion and trapping in bcc and fcc metals

    International Nuclear Information System (INIS)

    Richter, D.

    1979-01-01

    The fundamental aspects of the metal--hydrogen systems are described. The large number of anomalous properties are the reason for continuous scientific effort. The time scale of hydrogen motion is extremely short. The characteristic frequencies of the localized modes of hydrogen in Ta, Nb, or V are in the order of 10 -14 sec (energies between 0.1 to 0.2 eV); the jump frequencies for H-diffusion at elevated temperatures in those systems are between 10 +12 to 10 +13 sec -1 . They are comparable with the correlation times for diffusion in liquids and more than ten orders of magnitude larger than the jump times for nitrogen in Nb. Out of the large number of experimental data this paper will survey only some recent results on representative fcc and bcc metals for dilute H solutions. The nature of the elementary step in H-diffusion is described. Here the temperature and isotope dependence of the H-diffusion coefficient gives hints to the mechanism involved. The experimental results are discussed in terms of semiclassical and quantum mechanical diffusion theories

  15. Cesium under pressure: First-principles calculation of the bcc-to-fcc phase transition

    Science.gov (United States)

    Carlesi, S.; Franchini, A.; Bortolani, V.; Martinelli, S.

    1999-05-01

    In this paper we present the ab initio calculation of the structural properties of cesium under pressure. The calculation of the total energy is done in the local-density approximation of density-functional theory, using a nonlocal pseudopotential including the nonlinear core corrections proposed by Louie et al. The calculation of the pressure-volume diagram for both bcc and fcc structures allows us to prove that the transition from bcc to fcc structure is a first-order transition.

  16. Spin dependent transport of hot electrons through ultrathin epitaxial metallic films

    Energy Technology Data Exchange (ETDEWEB)

    Heindl, Emanuel

    2010-06-23

    In this work relaxation and transport of hot electrons in thin single crystalline metallic films is investigated by Ballistic Electron Emission Microscopy. The electron mean free paths are determined in an energy interval of 1 to 2 eV above the Fermi level. While fcc Au-films appear to be quite transmissive for hot electrons, the scattering lengths are much shorter for the ferromagnetic alloy FeCo revealing, furthermore, a strong spin asymmetry in hot electron transport. Additional information is gained from temperature dependent studies in combination with golden rule approaches in order to disentangle the impact of several relaxation and transport properties. It is found that bcc Fe-films are much less effective in spin filtering than films made of the FeCo-alloy. (orig.)

  17. Solid-liquid interface free energies of pure bcc metals and B2 phases

    Science.gov (United States)

    Wilson, S. R.; Gunawardana, K. G. S. H.; Mendelev, M. I.

    2015-04-01

    The solid-liquid interface (SLI) free energy was determined from molecular dynamics (MD) simulation for several body centered cubic (bcc) metals and B2 metallic compounds (space group: P m 3 ¯ m ; prototype: CsCl). In order to include a bcc metal with a low melting temperature in our study, a semi-empirical potential was developed for Na. Two additional synthetic "Na" potentials were also developed to explore the effect of liquid structure and latent heat on the SLI free energy. The obtained MD data were compared with the empirical Turnbull, Laird, and Ewing relations. All three relations are found to predict the general trend observed in the MD data for bcc metals obtained within the present study. However, only the Laird and Ewing relations are able to predict the trend obtained within the sequence of "Na" potentials. The Laird relation provides the best prediction for our MD data and other MD data for bcc metals taken from the literature. Overall, the Laird relation also agrees well with our B2 data but requires a proportionality constant that is substantially different from the bcc case. It also fails to explain a considerable difference between the SLI free energies of some B2 phases which have nearly the same melting temperature. In contrast, this difference is satisfactorily described by the Ewing relation. Moreover, the Ewing relation obtained from the bcc dataset also provides a reasonable description of the B2 data.

  18. First principles calculation of anomalous Hall conductivity in ferromagnetic bcc Fe

    Czech Academy of Sciences Publication Activity Database

    Yao, Y.; Kleinman, L.; MacDonald, A. H.; Sinova, J.; Jungwirth, Tomáš; Wang, D. S.; Wang, E.; Niu, Q.

    2004-01-01

    Roč. 92, č. 3 (2004), 037204/1-037204/4 ISSN 0031-9007 R&D Projects: GA ČR GA202/02/0912 Institutional research plan: CEZ:AV0Z1010914 Keywords : transition metal ferromagnet * anomalous Hall effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.218, year: 2004

  19. Microstructure and Room-Temperature Mechanical Properties of FeCrMoVTi x High-Entropy Alloys

    Science.gov (United States)

    Guo, Jun; Huang, Xuefei; Huang, Weigang

    2017-07-01

    FeCrMoVTi x ( x values represent the molar ratio, where x = 0, 0.5, 1.0, 1.5, and 2.0) high-entropy alloys were prepared by a vacuum arc melting method. The effects of Ti element on the microstructure and room-temperature mechanical properties of the as-cast FeCrMoVTi x alloys were investigated. The results show that the prepared alloys exhibited typical dendritic microstructure and the size of the microstructure became fine with increasing Ti content. The FeCrMoV alloy exhibited a single body-centered cubic structure (BCC1) and the alloys prepared with Ti element exhibited BCC1 + BCC2 mixed structure. The new BCC2 phase is considered as (Fe, Ti)-rich phase and was distributed in the dendrite region. With the increase of Ti content, the volume fraction of the BCC2 phase increased and its shape changed from a long strip to a network. For the FeCrMoV alloy, the fracture strength, plastic strain, and hardness reached as high as 2231 MPa, 28.2%, and 720 HV, respectively. The maximum hardness of 887 HV was obtained in the FeCrMoVTi alloy. However, the fracture strength, yield stress, and plastic strain of the alloys decreased continuously as Ti content increased. In the room-temperature compressive test, the alloys showed typical brittle fracture characteristics.

  20. Epitaxial growth of bcc-FexCo100-x thin films on MgO(1 1 0) single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Nishiyama, Tsutomu; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2010-01-01

    Fe x Co 100-x (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe x Co 100-x film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe x Co 100-x crystals with very small errors less than ±0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe 50 Co 50 /MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  1. Influence of chemical composition of CoFeB on tunneling magnetoresistance and microstructure in polycrystalline CoFeB/MgO/CoFeB magnetic tunnel junctions

    International Nuclear Information System (INIS)

    Tsunekawa, Koji; Choi, Young-Suk; Nagamine, Yoshinori; Djayaprawira, David D.; Takeuchi, Takashi; Kitamoto, Yoshitaka

    2006-01-01

    We report, for the first time, the correlation between tunneling magnetoresistance (TMR) and the microstructure of polycrystalline CoFeB/MgO/CoFeB magnetic tunnel junctions with various Co/Fe ratios in the (CoFe) 81 B 19 reference and free layers. It is found that the Co/Fe ratio in the (CoFe) 81 B 19 reference layer strongly affects the (001) out-of-plane texture of the MgO tunnel barrier, resulting in the variation in TMR ratio. Further microstructure characterization of the magnetic tunnel junction with a higher TMR ratio and a stronger (001) out-of-plane texture in the MgO tunnel barrier reveals a grain-to-grain lattice match between the crystallized bcc CoFeB reference layer and MgO with a 45deg rotational epitaxial relationship, that is, CoFeB(001)[110]//MgO(001)[100]. (author)

  2. The annealing temperature dependences of microstructures and magnetic properties in electro-chemical deposited CoNiFe thin films

    International Nuclear Information System (INIS)

    Suharyadi, Edi; Riyanto, Agus; Abraha, Kamsul

    2016-01-01

    CoNiFe thin films with various compositions had been successfully fabricated using electro-chemical deposition method. The crystal structure of Co_6_5Ni_1_5Fe_2_0, Co_6_2Ni_1_5Fe_2_3, and Co_5_5Ni_1_5Fe_3_0 thin films was fcc, bcc-fcc mix, and bcc, respectively. The difference crystal structure results the difference in magnetic properties. The saturation magnetic flux density (Bs) of Co_6_5Ni_1_5Fe_2_0, Co_6_2Ni_1_5Fe_2_3, and Co_5_5Ni_1_5Fe_3_0 thin films was 1.89 T, 1.93 T, and 2.05 T, respectively. An optimal annealing temperature was determined for controlling the microstructure and magnetic properties of CoNiFe thin films. Depending on annealing temperature, the ratio of bcc and fcc structure varied without changing the film composition. By annealing at temperature of T ≥ 350°C, the intensity ratio of X-ray diffraction peaks for bcc(110) to fcc(111) increased. The increase of phase ratio of bcc(110) to fcc(111) caused the increase of Bs, from 1.89 T to 1.95 T. Coercivity (Hc) also increased after annealing, from 2.6 Oe to 18.6 Oe for fcc phase thin films, from 2.0 Oe to 12.0 Oe for fcc-bcc mix phase thin films, and 7.8 Oe to 8 Oe for bcc phase thin films. The changing crystal structures during annealing process indicated that the thermal treatment at high temperature cause the changing crystallinity and atomic displacement. The TEM bright-field images with corresponding selected-area electron diffraction (SAED) patterns showed that there are strongly effects of thermal annealing on the size of fcc and bcc phase crystalline grain as described by size of individual spot and discontinuous rings. The size of crystalline grains increased by thermal annealing. The evolution of bcc and fcc structures of CoNiFe during annealing is though to be responsible for the change of magnetic properties.

  3. Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system

    Science.gov (United States)

    Kiyokawa, Shuji

    2018-05-01

    In the Yukawa system with the dimensionless screening parameter κ>1.5 , when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely.

  4. Biological changes of APA-BCC analgesic microcapsule in cerebrospinal fluid of patients with carcinomatous pain

    International Nuclear Information System (INIS)

    Luo Yun; Li Yanling; Xue Yilong; Guo Shulong; Gao Yuhong; Cui Xin

    2005-01-01

    To explore the changes of alginate-polylysine-alginate microcapsulated bovine adrenal medullary chromaffin cells (APA-BCC microcapsules) in morphology, survival rate and leucine- enkephalin secretion after they were transplanted into CSF of cancerpain patients, the APA- BCC microcapsules were Implanted into cavitas subarachnoidealis of cancer-pain patients by conventional lumbar puncture. After 7 or 8 days, cerebrospinal fluid was collected and the morphology of the APA-BCC microcapsule, the survival rate of cells were observed and secretory volume of leucine-enkephalin was assayed by radioimmunity method. Seven days after trans- plantation, the mean VAS decreased from 8.8 to 2.4, the survival rate of cells averagely reduced from 91.2% to 89.1%, morphology of APA-BCC microcapsules did not change obviously and secretory volume of leucine-enkephalin went up 1.65 times compared with that at pretrans- plantation. In conclusion, APA-BCC can survive, secret leucine-enkephalin and produce analgesic effect after transplanted into CSF of cancer-patients. (authors)

  5. The study on binary Mg-Co hydrogen storage alloys with BCC phase

    International Nuclear Information System (INIS)

    Zhang Yao; Tsushio, Yoshinori; Enoki, Hirotoshi; Akiba, Etsuo

    2005-01-01

    Novel Mg-Co binary alloys were successfully synthesized by mechanical alloying. These alloys were studied by X-ray diffraction (XRD), transmission electron micrograph (TEM), pressure-composition-isotherms measurements (P-C-T) and differential scanning calorimetry (DSC). Both XRD Rietveld analysis and TEM observation confirmed that these binary alloys contain BCC phase and that the BCC phase existed in the range from 37 to 80 at.% Co. The lattice parameter of the BCC phase increased with the increase of the Co content from 37 to 50 at.%. When the Co content reached 50 at.%, the lattice parameter reached a maximum value, and then turned to decrease gradually with further increase of the Co content. Most of Mg-Co BCC alloys absorbed hydrogen at 373 K under 6 MPa of hydrogen pressure. The Mg 60 Co 40 alloy showed the highest hydrogen absorption capacity, about 2.7 mass% hydrogen. However, all the Mg-Co alloys studied did not desorb hydrogen at 373 K. By means of DSC measurements and in situ XRD analysis, it was found that under 4 MPa hydrogen atmosphere, Mg 50 Co 50 alloy transformed from BCC solid solution to Mg 2 CoH 5 tetragonal hydride at 413 K

  6. Kink effect in ultrathin FDSOI MOSFETs

    Science.gov (United States)

    Park, H. J.; Bawedin, M.; Choi, H. G.; Cristoloveanu, S.

    2018-05-01

    Systematic experiments demonstrate the presence of the kink effect even in FDSOI MOSFETs. The back-gate bias controls the kink effect via the formation of a back accumulation channel. The kink is more or less pronounced according to the film thickness and channel length. However, in ultrathin (MOSFETs.

  7. Direct structural and spectroscopic investigation of ultrathin films of tetragonal CuO: Six-fold coordinated copper

    NARCIS (Netherlands)

    Samal, D.; Tan, H.; Takamura, Y.; Siemons, W.; Verbeeck, J.; van Tendeloo, G.; Arenholz, E.; Jenkins, A.; Rijnders, Augustinus J.H.M.; Koster, Gertjan

    2014-01-01

    Unlike other 3d transition metal monoxides (MnO, FeO, CoO, and NiO), CuO is found in a low-symmetry distorted monoclinic structure rather than the rocksalt structure. We report here of the growth of ultrathin CuO films on SrTiO3 substrates; scanning transmission electron microscopy was used to show

  8. Adsorption induced modification of in-plane magnetic anisotropy in epitaxial Co and Fe/Co films on Fe(110)

    Science.gov (United States)

    Ślezak, M.; Ślezak, T.; Matlak, K.; DróŻdŻ, P.; Korecki, J.

    2018-05-01

    A study of in-plane magnetic anisotropy (MA) in epitaxial bcc Co films and Fe/Co bilayers on a Fe(110) surface is reported. Surface MA of as-deposited Co films and Fe/Co bilayers strongly depends on the Co (dCo) and Fe (dFe) thickness. Adsorption of residual gases drastically modifies in-plane MA of both Co films and Fe/Co bilayers. We present two dimensional MA maps in the (dCo, dFe) space for both as grown and adsorption-modified films. Our results indicate how to precisely engineer in-plane MA that can be controlled by dCo, dFe and is sensitive to the residual gas adsorption.

  9. Atomistic simulation of fcc—bcc phase transition in single crystal Al under uniform compression

    International Nuclear Information System (INIS)

    Li Li; Liang Jiu-Qing; Shao Jian-Li; Duan Su-Qing; Li Yan-Fang

    2012-01-01

    By molecular dynamics simulations employing an embedded atom model potential, we investigate the fcc-to-bcc phase transition in single crystal Al, caused by uniform compression. Results show that the fcc structure is unstable when the pressure is over 250 GPa, in reasonable agreement with the calculated value through the density functional theory. The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail. The bcc (011) planes are transited from the fcc (111-bar) plane and the (11-bar1) plane. We suggest that the transition mechanism consists mainly of compression, shear, slid and rotation of the lattice. In addition, our radial distribution function analysis explicitly indicates the phase transition of Al from fcc phase to bcc structure. (condensed matter: structural, mechanical, and thermal properties)

  10. Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

    Science.gov (United States)

    Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

    2011-03-01

    Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

  11. Kinetics of disorder-to-fcc phase transition via an intermediate bcc state

    International Nuclear Information System (INIS)

    Liu Yongsheng; Nie Huifen; Bansil, Rama; Steinhart, Milos; Bang, Joona; Lodge, Timothy P.

    2006-01-01

    Time-resolved small-angle x-ray scattering measurements reveal that a long-lived intermediate bcc state forms when a poly(styrene-b-isoprene) diblock copolymer solution in an isoprene selective solvent is rapidly cooled from the disordered micellar fluid at high temperature to an equilibrium fcc state. The kinetics of the epitaxial growth of the [111] fcc peak from the [110] bcc peak was obtained by fitting the scattering data to a simple model of the transformation. The growth of the [111] fcc peak agrees with the Avrami model of nucleation and growth kinetics with an exponent n=1.4, as does the initial decay of the [110] bcc peak, with an exponent n=1.3. The data were also found to be in good agreement with the Cahn model of grain boundary nucleation and growth

  12. Shape induced magnetic vortex state in hexagonal ordered cofe nanodot arrays using ultrathin alumina shadow mask

    Science.gov (United States)

    Sellarajan, B.; Saravanan, P.; Ghosh, S. K.; Nagaraja, H. S.; Barshilia, Harish C.; Chowdhury, P.

    2018-04-01

    The magnetization reversal process of hexagonal ordered CoFe nanodot arrays was investigated as a function of nanodot thickness (td) varying from 10 to 30 nm with fixed diameter. For this purpose, ordered CoFe nanodots with a diameter of 80 ± 4 nm were grown by sputtering using ultra-thin alumina mask. The vortex annihilation and the dynamic spin configuration in the ordered CoFe nanodots were analyzed by means of magnetic hysteresis loops in complement with the micromagnetic simulation studies. A highly pinched hysteresis loop observed at 20 nm thickness suggests the occurrence of vortex state in these nanodots. With increase in dot thickness from 10 to 30 nm, the estimated coercivity values tend to increase from 80 to 175 Oe, indicating irreversible change in the nucleation/annihilation field of vortex state. The measured magnetic properties were then corroborated with the change in the shape of the nanodots from disk to hemisphere through micromagnetic simulation.

  13. Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, M.J.; Stutz, C.E.

    1997-07-01

    Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found to be a function of the sputtering pressure and presputter time; under conditions in which the as-deposited stress of the film was {approximately}1.5 GPa compressive delamination of the W film from the substrate was observed. Data from the thermal studies indicated that bcc film stress was not affected by annealing but transformation of the A-15 structure resulted in a large tensile increase in the stress of the film, regardless of the as-deposited stress of the film. In several instances, complete transformation of the A-15 structure into the bcc phase resulted in {ge}1 GPa tensile increase in film stress.

  14. Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films

    International Nuclear Information System (INIS)

    O'Keefe, M.J.; Stutz, C.E.

    1997-01-01

    Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found to be a function of the sputtering pressure and presputter time; under conditions in which the as-deposited stress of the film was approximately1.5 GPa compressive delamination of the W film from the substrate was observed. Data from the thermal studies indicated that bcc film stress was not affected by annealing but transformation of the A-15 structure resulted in a large tensile increase in the stress of the film, regardless of the as-deposited stress of the film. In several instances, complete transformation of the A-15 structure into the bcc phase resulted in ge1 GPa tensile increase in film stress

  15. Ab initio study on mechanical-bending-induced ferroelectric phase transition in ultrathin perovskite nanobelts

    International Nuclear Information System (INIS)

    Li, H.F.; Zhang, G.H.; Zheng, Yue; Wang, Biao; Chen, W.J.

    2014-01-01

    Based on first-principles calculations, we systematically investigated the structural, ferroelectric (FE), energetic and electronic properties of bended ultrathin PbTiO 3 and BaTiO 3 nanobelts in between flat sheet and nanotube configurations. It is found that both PbTiO 3 and BaTiO 3 ultrathin nanobelts can possess axial antiferrodistortive structural distortion (AFD distortion), and the magnitude of the AFD rotation angle is obviously determined by the bending curvature of the nanobelts. Meanwhile, spontaneous polarization can be retained in these single-unit-cell-thick nanobelts with contributions from the axial improper ferroelectricity and the radial flexoelectricity, which indicates that ultrathin perovskite nanobelts do not have a critical thickness. On the other hand, we found that the AFD distortion is stable and significant in PbTiO 3 nanobelts while it is metastable in BaTiO 3 nanobelts in comparison with the stable non-AFD structure without AFD distortion. This is due to the competition between AFD distortion and circumferential lattice extension in releasing the elastic energy in BaTiO 3 material. Moreover, we found that the electronic structure and bandgap of the nanobelts can be tuned by the bending curvature, indicating potential control of transport properties by mechanical bending. Our results gave more insight into the inherence of improper ferroelectricity in low-dimensional perovskite ferroelectrics

  16. Preparation of metastable bcc permalloy epitaxial thin films on GaAs(011){sub B3} single-crystal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.jp [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Higuchi, Jumpei; Yabuhara, Osamu [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2011-09-30

    Permalloy (Py) single-crystal films with bcc structure were obtained on GaAs(011){sub B3} single-crystal substrates by ultra high vacuum rf magnetron sputtering. The film growth and the detailed film structures were investigated by refection high energy electron diffraction and pole figure X-ray diffraction. bcc-Py films epitaxially grow on the substrates in the orientation relationship of Py(011)[011-bar]{sub bcc} || GaAs(011)[011-bar]{sub B3}. The lattice constant of bcc-Py film is determined to be a = 0.291 nm. With increasing the film thickness, parts of the bcc crystal transform into more stable fcc structure by atomic displacement parallel to the bcc{l_brace}011{r_brace} close-packed planes. The resulting film thus consists of a mixture of bcc and fcc crystals. The phase transformation mechanism is discussed based on the experimental results. The in-plane magnetization properties reflecting the magnetocrystalline anisotropy of bcc-Py crystal are observed for the Py films grown on GaAs(011){sub B3} substrates.

  17. Preparation of metastable bcc permalloy epitaxial thin films on GaAs(011)B3 single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Higuchi, Jumpei; Yabuhara, Osamu; Kirino, Fumiyoshi; Futamoto, Masaaki

    2011-01-01

    Permalloy (Py) single-crystal films with bcc structure were obtained on GaAs(011) B3 single-crystal substrates by ultra high vacuum rf magnetron sputtering. The film growth and the detailed film structures were investigated by refection high energy electron diffraction and pole figure X-ray diffraction. bcc-Py films epitaxially grow on the substrates in the orientation relationship of Py(011)[011-bar] bcc || GaAs(011)[011-bar] B3 . The lattice constant of bcc-Py film is determined to be a = 0.291 nm. With increasing the film thickness, parts of the bcc crystal transform into more stable fcc structure by atomic displacement parallel to the bcc{011} close-packed planes. The resulting film thus consists of a mixture of bcc and fcc crystals. The phase transformation mechanism is discussed based on the experimental results. The in-plane magnetization properties reflecting the magnetocrystalline anisotropy of bcc-Py crystal are observed for the Py films grown on GaAs(011) B3 substrates.

  18. Comparative Study by MS and XRD of Fe50Al50 Alloys Produced by Mechanical Alloying, Using Different Ball Mills

    International Nuclear Information System (INIS)

    Rojas Martinez, Y.; Perez Alcazar, G. A.; Bustos Rodriguez, H.; Oyola Lozano, D.

    2005-01-01

    In this work we report a comparative study of the magnetic and structural properties of Fe 50 Al 50 alloys produced by mechanical alloying using two different planetary ball mills with the same ball mass to powder mass relation. The Fe 50 Al 50 sample milled during 48 h using the Fritsch planetary ball mill pulverisette 5 and balls of 20 mm, presents only a bcc alloy phase with a majority of paramagnetic sites, whereas that sample milled during the same time using the Fritsch planetary ball mill pulverisette 7 with balls of 15 mm, presents a bcc alloy phase with paramagnetic site (doublet) and a majority of ferromagnetic sites which include pure Fe. However for 72 h of milling this sample presents a bcc paramagnetic phase, very similar to that prepared with the first system during 48 h. These results show that the conditions used in the first ball mill equipment make more efficient the milling process.

  19. Magnetic properties of fcc (Co95Fe5)1-xAlx ribbons

    International Nuclear Information System (INIS)

    Makhlouf, Salah A.; Parker, F.T.; Benameur, T.

    1999-01-01

    Rapidly quenched (Co 95 Fe 5 ) 1-x Al x ribbons are investigated by X-ray diffraction, magnetization, and Moessbauer effect measurements. A single fcc phase is obtained for all ribbons x ≤ 10 at.%. The lattice constant increases linearly with x and is discussed in connection with magnetic moment. The influence of Al substitution on both magnetization and Fe-atom hyperfine field (H) is studied. At 296 K, the magnetization decreases linearly while H drops nonlinearly as x increases. Al substitution leads to substantial differences in iron hyperfine fields in bcc and fcc systems. Fe moment is perturbed differently by Al substitution in fcc (Co 95 Fe 5 ) 1-x Al x and bcc Fe-Al systems

  20. Ultrasound-responsive ultrathin multiblock copolyamide vesicles

    Science.gov (United States)

    Huang, Lei; Yu, Chunyang; Huang, Tong; Xu, Shuting; Bai, Yongping; Zhou, Yongfeng

    2016-02-01

    This study reports the self-assembly of novel polymer vesicles from an amphiphilic multiblock copolyamide, and the vesicles show a special structure with an ultrathin wall thickness of about 4.5 nm and a combined bilayer and monolayer packing model. Most interestingly, the vesicles are ultrasound-responsive and can release the encapsulated model drugs in response to ultrasonic irradiation.This study reports the self-assembly of novel polymer vesicles from an amphiphilic multiblock copolyamide, and the vesicles show a special structure with an ultrathin wall thickness of about 4.5 nm and a combined bilayer and monolayer packing model. Most interestingly, the vesicles are ultrasound-responsive and can release the encapsulated model drugs in response to ultrasonic irradiation. Electronic supplementary information (ESI) available: Details of experiments and characterization, and FT-IR, TEM, DPD, FL and micro-DSC results. See DOI: 10.1039/c5nr08596a

  1. Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements

    Czech Academy of Sciences Publication Activity Database

    Gröger, Roman; Vítek, V.

    2015-01-01

    Roč. 643, SEP (2015), s. 203-210 ISSN 0921-5093 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : Screw dislocation * BCC metal * Dislocation pathway Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.647, year: 2015

  2. Towards an unbiased comparison of CC, BCC, and FCC lattices in terms of prealiasing

    KAUST Repository

    Vad, Viktor

    2014-06-01

    In the literature on optimal regular volume sampling, the Body-Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band-limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face-Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well-known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner-Lobb test signal such that an undue advantage is not given to either lattice. © 2014 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

  3. First-principles study of ternary bcc alloys using special quasi-random structures

    International Nuclear Information System (INIS)

    Jiang Chao

    2009-01-01

    Using a combination of exhaustive enumeration and Monte Carlo simulated annealing, we have developed special quasi-random structures (SQSs) for ternary body-centered cubic (bcc) alloys with compositions of A 1 B 1 C 1 , A 2 B 1 C 1 , A 6 B 1 C 1 and A 2 B 3 C 3 , respectively. The structures possess local pair and multisite correlation functions that closely mimic those of the random bcc alloy. We employed the SQSs to predict the mixing enthalpies, nearest neighbor bond length distributions and electronic density of states of bcc Mo-Nb-Ta and Mo-Nb-V solid solutions. Our convergence tests indicate that even small-sized SQSs can give reliable results. Based on the SQS energetics, the predicting powers of the existing empirical ternary extrapolation models were assessed. The present results suggest that it is important to take into account the ternary interaction parameter in order to accurately describe the thermodynamic behaviors of ternary alloys. The proposed SQSs are quite general and can be applied to other ternary bcc alloys.

  4. Towards an unbiased comparison of CC, BCC, and FCC lattices in terms of prealiasing

    KAUST Repository

    Vad, Viktor; Csé bfalvi, Balá zs; Rautek, Peter; Grö ller, Eduard M.

    2014-01-01

    In the literature on optimal regular volume sampling, the Body-Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band-limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face-Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well-known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner-Lobb test signal such that an undue advantage is not given to either lattice. © 2014 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

  5. Direct Observation of the BCC (100) Plane in Thin Films of Sphere-forming Diblock Copolymers

    Science.gov (United States)

    Ji, Shengxiang; Nagpal, Umang; Liao, Wen; de Pablo, Juan; Nealey, Paul

    2010-03-01

    In sphere-forming diblock copolymers, periodic arrays of spheres are arranged in a body-centred cubic (BCC) lattice structure in bulk. However, in thin films different surface morphologies were observed as a function of the film thickness, and the transition from the hexagonal array to the BCC (110) arrangement of spheres on film surfaces was located with respect to the increase of the film thickness. Here we report the first direct observation of the BCC (100) plane in thin films of poly (styrene-b-methyl methacrylate) diblock copolymers on homogeneous substrates. By balancing the surface energies of both blocks, the lower energy BCC (100) plane corresponding to a square arrangement of half spheres, formed on film surfaces when the film thickness was commensurate with the spacing, L100, between (100) planes or greater than 2 L100. A hexagonal arrangement of spheres was only observed when the thickness was less than 2 L100 and incommensurate with 1 L100. Monte Carlo (MC) simulation confirmed our experimental observation and was used to investigate the transition of the arrangement of spheres as a function of the film thickness.

  6. Hirsutane Sesquiterpenes from Cultures of the Basidiomycete Marasmiellus sp. BCC 22389

    Directory of Open Access Journals (Sweden)

    Masahiko Isaka

    2016-08-01

    Full Text Available Abstract Two new hirsutane sesquiterpenes, marasmiellins A (1 and B (2, were isolated from cultures of the basidiomycete Marasmiellus sp. BCC 22389. The structures were elucidated on the basis of NMR spectroscopic and mass spectrometry data. The absolute configuration of marasmiellin B was determined by application of the modified Mosher’s method. Graphical Abstract

  7. Investigation of irradiation strengthening of bcc metals and their alloys. Progress report, January 1977--October 1977

    International Nuclear Information System (INIS)

    1977-01-01

    Progress is reported in the areas of (a) the effect of neutron damage on the dislocation kinetics in bcc metals and their alloys, and (b) the effect of 3 He on the deformation characteristics of body centered cubic metals and their alloys. Results obtained from these projects are discussed

  8. Solubility of hydrogen and deuterium in bcc-uranium-titanium alloys

    International Nuclear Information System (INIS)

    Powell, G.L.; Kirkpatrick, J.R.

    1996-01-01

    For the bcc-U-Ti alloy system, H and D solubility measurements have been made on 12 alloy specimens ranging in composition from pure U to pure Ti and temperature range bounded by 900 K to 1,500 K. The results are described by a model within a standard error of 3%

  9. Photoresponsive properties of ultrathin silicon nanowires

    International Nuclear Information System (INIS)

    Tran, Duy P.; Macdonald, Thomas J.; Nann, Thomas; Thierry, Benjamin; Wolfrum, Bernhard; Stockmann, Regina; Offenhäusser, Andreas

    2014-01-01

    Functional silicon nanowires (SiNWs) are promising building blocks in the design of highly sensitive photodetectors and bio-chemical sensors. We systematically investigate the photoresponse properties of ultrathin SiNWs (20 nm) fabricated using a size-reduction method based on e-beam lithography and tetramethylammonium hydroxide wet-etching. The high-quality SiNWs were able to detect light from the UV to the visible range with excellent sensitivity (∼1 pW/array), good time response, and high photoresponsivity (R ∼ 2.5 × 10 4  A/W). Improvement of the ultrathin SiNWs' photoresponse has been observed in comparison to 40 nm counter-part nanowires. These properties are attributable to the predominance surface-effect due to the high surface-to-volume ratio of ultrathin SiNWs. Long-term measurements at different temperatures in both the forward and reverse bias directions demonstrated the stability and reliability of the fabricated device. By sensitizing the fabricated SiNW arrays with cadmium telluride quantum dots (QDs), hybrid QD SiNW devices displayed an improvement in photocurrent response under UV light, while preserving their performance in the visible light range. The fast, stable, and high photoresponse of these hybrid nanostructures is promising towards the development of optoelectronic and photovoltaic devices

  10. Photoresponsive properties of ultrathin silicon nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Duy P.; Macdonald, Thomas J.; Nann, Thomas; Thierry, Benjamin, E-mail: a.offenhaeusser@fz-juelich.de, E-mail: benjamin.thierry@unisa.edu.au [Ian Wark Research Institute, University of South Australia, Mawson Lakes Campus, MM Bldg., Mawson Lakes Blvd., Mawson Lakes, South Australia 5095 (Australia); Wolfrum, Bernhard; Stockmann, Regina; Offenhäusser, Andreas, E-mail: a.offenhaeusser@fz-juelich.de, E-mail: benjamin.thierry@unisa.edu.au [Peter Grünberg Institute, Forschungszentrum Jülich GmbH, 2.4v Bldg., Wilhelm-Johnen St., Jülich 52428 (Germany)

    2014-12-08

    Functional silicon nanowires (SiNWs) are promising building blocks in the design of highly sensitive photodetectors and bio-chemical sensors. We systematically investigate the photoresponse properties of ultrathin SiNWs (20 nm) fabricated using a size-reduction method based on e-beam lithography and tetramethylammonium hydroxide wet-etching. The high-quality SiNWs were able to detect light from the UV to the visible range with excellent sensitivity (∼1 pW/array), good time response, and high photoresponsivity (R ∼ 2.5 × 10{sup 4 }A/W). Improvement of the ultrathin SiNWs' photoresponse has been observed in comparison to 40 nm counter-part nanowires. These properties are attributable to the predominance surface-effect due to the high surface-to-volume ratio of ultrathin SiNWs. Long-term measurements at different temperatures in both the forward and reverse bias directions demonstrated the stability and reliability of the fabricated device. By sensitizing the fabricated SiNW arrays with cadmium telluride quantum dots (QDs), hybrid QD SiNW devices displayed an improvement in photocurrent response under UV light, while preserving their performance in the visible light range. The fast, stable, and high photoresponse of these hybrid nanostructures is promising towards the development of optoelectronic and photovoltaic devices.

  11. Atomic structure of embedded Fe nanoclusters as a function of host matrix material: a synchrotron radiation study

    International Nuclear Information System (INIS)

    Baker, S H; Roy, M; Gurman, S J; Louch, S; Bleloch, A; Binns, C

    2004-01-01

    The atomic structure of Fe nanoclusters embedded in a range of matrix materials has been studied using synchrotron radiation. In particular, the effect of embedding the clusters in Ag, amorphous carbon (a-C) and a porous C 60 matrix is investigated. The embedded cluster samples were prepared by co-deposition using a gas aggregation cluster source. Samples with both dilute and high-volume-filling fraction of clusters, at 4 and 40% respectively, were prepared. Fe K edge EXAFS measurements were used to probe the structure within the clusters. In a Ag matrix, the Fe clusters retain the b.c.c. structure of bulk Fe while in a-C there is evidence for both b.c.c. and f.c.c. structures in the clusters. These results are independent of cluster volume-filling fraction over the range investigated. When embedded in a porous C 60 matrix, the Fe clusters oxidize to Fe 2 O 3

  12. High Temperature Magneto-Elastic Instability of Dislocations in bcc Iron

    International Nuclear Information System (INIS)

    Dudarev, S.; Bullough, R.; Gilbert, M.; Derlet, P.

    2007-01-01

    Full text of publication follows: Density functional calculations show that the low temperature structure of self-interstitial defects in iron is fundamentally different from the structure of self-interstitial defects in all the other bcc metals. The origin of this anomaly is associated with the magnetic part of the cohesive energy of iron, where the Stoner exchange term stabilizes the body centred cubic phase, and where the magnetic part of energy is strongly affected by the large strain associated with the core region of an interstitial defect. At elevated temperatures magnetic excitations erode the stability of the bcc phase, giving rise to the gradual softening of the 110 transverse acoustic phonon modes and to the α-γ bcc-fcc martensitic phase transition occurring at 912 deg. C at normal pressure. Elastic moduli of bcc iron vary as a function of temperature with c' = (C 11 - c 12 )/2 vanishing at the α-γ transition point. This has significant effects on the magnitude of both the elastic interactions between dislocations and other defects in the material and on the intrinsic structural stability of the dislocations and other defects themselves. To evaluate structural stability of defects at elevated temperatures we investigate elastic self-energies of dislocations in the continuum anisotropic elasticity approximation. We also develop atomistic models of dislocations and point defects based on a generalised form of the magnetic potential. By varying the magnetic part of the potential we are able to reproduce the experimentally observed variation of elastic moduli as a function of temperature, and assess relative stability of various types of defect structures. Our analysis shows that, in complete contrast to other straight dislocations, the elastic self-energy of straight 100 edge dislocations actually sharply decreases as we approach the α-γ transition, indicating that this surprising fact is a probable explanation of the frequent observation of the 100

  13. In vivo assessment of optical properties of basal cell carcinoma and differentiation of BCC subtypes by high-definition optical coherence tomography

    DEFF Research Database (Denmark)

    Boone, Marc; Suppa, Mariano; Miyamoto, Makiko

    2016-01-01

    High-definition optical coherence tomography (HD-OCT) features of basal cell carcinoma (BCC) have recently been defined. We assessed in vivo optical properties (IV-OP) of BCC, by HD-OCT. Moreover their critical values for BCC subtype differentiation were determined. The technique of semi-log plot...

  14. Microwave absorptions of ultrathin conductive films and designs of frequency-independent ultrathin absorbers

    International Nuclear Information System (INIS)

    Li, Sucheng; Anwar, Shahzad; Lu, Weixin; Hang, Zhi Hong; Hou, Bo; Shen, Mingrong; Wang, Chin-Hua

    2014-01-01

    We study the absorption properties of ultrathin conductive films in the microwave regime, and find a moderate absorption effect which gives rise to maximal absorbance 50% if the sheet (square) resistance of the film meets an impedance matching condition. The maximal absorption exhibits a frequency-independent feature and takes place on an extremely subwavelength scale, the film thickness. As a realistic instance, ∼5 nm thick Au film is predicted to achieve the optimal absorption. In addition, a methodology based on metallic mesh structure is proposed to design the frequency-independent ultrathin absorbers. We perform a design of such absorbers with 50% absorption, which is verified by numerical simulations

  15. Influence of Fe underlayers on stress evolution of Ti in Ti/Fe multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Li; Thompson, Gregory, E-mail: gthompson@eng.ua.edu [Department of Metallurgical Engineering, The University of Alabama, Tuscaloosa, Alabama 35487-0202 (United States)

    2016-11-15

    A series of 40–2 nm bilayer spacing Ti/Fe multilayers were sputter-deposited. As the length scale of individual Ti layers equaled to 2 nm, Ti phase transforms from a hexagonal close packed (hcp)-to-body centered cubic (bcc) crystal structures for equal layer thicknesses in Ti/Fe multilayers. Further equal reductions in bilayer spacing to less than 1 nm resulted in an additional transformation from a crystalline to amorphous structure. Atom probe tomography reveals significant intermixing between layers which contributes to the observed phase transformations. Real-time, intrinsic growth stress measurements were also performed to relate the adatom mobility to these phase transformations. For the hcp Ti/bcc Fe multilayers of equivalent volume fractions, the multilayers undergo an overall tensile stress state to a compressive stress state with decreasing bilayer thickness for the multilayers. When the above phase transformations occurred, a modest reduction in the overall compressive stress of the multilayer was noted. Depending on the Fe thickness, the Ti growth was observed to be a tensile to compressive growth change to a purely compressive growth for thinner bilayer spacing. Fe retained a tensile growth stress regardless of the bilayer spacing studied.

  16. The formation mechanism of mechanically alloyed Fe-20 at% Al powder

    Energy Technology Data Exchange (ETDEWEB)

    Hadef, F., E-mail: hadef77@yahoo.fr [Laboratoire de Recherche sur la Physico-Chimie des Surfaces et Interfaces, LRPCSI, Universite 20 Aout 1955, BP 26, Route d' El-Hadaiek, Skikda 21000 (Algeria); Otmani, A. [Laboratoire de Recherche sur la Physico-Chimie des Surfaces et Interfaces, LRPCSI, Universite 20 Aout 1955, BP 26, Route d' El-Hadaiek, Skikda 21000 (Algeria); Djekoun, A. [Laboratoire de Magnetisme et Spectroscopie des Solides, LM2S, Universite Badji Mokhtar, BP 12 Annaba 23000 (Algeria); Greneche, J.M. [LUNAM, Universite du Maine, Institut des Molecules et Materiaux du Mans, UMR CNRS 6283, 72085 Le Mans (France)

    2013-01-15

    The formation mechanism of the mechanically alloyed Fe-20 at% Al, from elemental Fe and Al powders, has been investigated. The experimental results indicate the formation of a nanocrystalline bcc {alpha}-Fe(Al) solid solution with a lattice parameter close to a{sub {alpha}-Fe(Al)}=0.2890 nm, where each Fe atom is surrounded by (6Fe+2Al) in the first coordination sphere. The reaction mechanism of MA process seems to be controlled by a diffusion phenomenon. Aluminum particles undergo an important refinement to the nanometer scale and then they stick on Fe particles of large sizes. A large number of clear Al/Fe interface areas were generated. The short diffusion path and the presence of high concentration of defects accelerated the solid state reaction. - Highlights: Black-Right-Pointing-Pointer A nanocrystalline bcc {alpha}-Fe(Al) solid solution is formed from elemental Fe and Al powders. Black-Right-Pointing-Pointer The reaction mechanism of MA process seems to be controlled by a diffusion phenomenon. Black-Right-Pointing-Pointer Each Fe atom is surrounded by (6Fe+2Al) in the first coordination sphere.

  17. Thick CoFeB with perpendicular magnetic anisotropy in CoFeB-MgO based magnetic tunnel junction

    Directory of Open Access Journals (Sweden)

    V. B. Naik

    2012-12-01

    Full Text Available We have investigated the effect of an ultra-thin Ta insertion in the CoFeB (CoFeB/Ta/CoFeB free layer (FL on magnetic and tunneling magnetoresistance (TMR properties of a CoFeB-MgO system with perpendicular magnetic anisotropy (PMA. It is found that the critical thickness (tc to sustain PMA is doubled (tc = 2.6 nm in Ta-inserted CoFeB FL as compared to single CoFeB layer (tc = 1.3 nm. While the effective magnetic anisotropy is found to increase with Ta insertion, the saturation magnetization showed a slight reduction. As the CoFeB thickness increasing, the thermal stability of Ta inserted structure is significantly increased by a factor of 2.5 for total CoFeB thickness less than 2 nm. We have observed a reasonable value of TMR for a much thicker CoFeB FL (thickness = 2-2.6 nm with Ta insertion, and without significant increment in resistance-area product. Our results reveal that an ultra-thin Ta insertion in CoFeB might pay the way towards developing the high-density memory devices with enhanced thermal stability.

  18. Magnetic, structural and electrical properties of ordered and disordered Co50Fe50 films

    International Nuclear Information System (INIS)

    Chen, Y.T.; Jen, S.U.; Yao, Y.D.; Wu, J.M.; Hwang, G.H.; Tsai, T.L.; Chang, Y.C.; Sun, A.C.

    2006-01-01

    Co 50 Fe 50 films with thickness varying from 100 to 500 A were deposited on a glass substrate by sputtering process, respectively. Two kinds of CoFe films were studied: one was the as-deposited film, and the other the annealed film. The annealing procedure was to keep the films at 400 deg. C for 5 h in a vacuum of 5x10 -6 mbar. From the X-ray study, we find that the as-deposited film prefers the CoFe(1 1 0) orientation. Moreover, the body-centered cubic (bcc) CoFe(1 1 0) line is split into two peaks: one corresponding to the ordered body-centered tetragonal (bct) phase, and the other, the disordered bcc phase. After annealing, the peak intensity of the ordered bct phase becomes much stronger, while that of the disordered bcc phase disappears. The annealing has also caused the ordered CoFe(2 0 0) line to appear. When the amount of the ordered bct phase in Co 50 Fe 50 is increased, the saturation magnetization (M s ) and coercivity (H c ) become larger, but the electrical resistivity (ρ) decreases. From the temperature coefficient of resistance (TCR) measurement, we learn that the bct grains in the CoFe film start to grow at temperature 82 deg. C

  19. Magnons coherent transmission and its heat transport at ultrathin insulating ferromagnetic nanojunctions

    Directory of Open Access Journals (Sweden)

    Ghantous M. Abou

    2012-06-01

    Full Text Available A model calculation is presented for the magnons coherent transmission and corresponding heat transport at magnetic insulating nanojunctions. The system consists of a ferromagnetically ordered ultrathin insulating junction between two semi-infinite ferromagnetically ordered leads. Spin dynamics are analyzed using the equations of motion for the spin precession displacements, valid for the range of temperatures of interest. Coherent scattering cross-sections at the junction boundary are calculated using the phase field matching theory, for all the incidence angles on the boundary from the lead bands, for arbitrary angles of incidence, at variable temperatures, and for different nano thicknesses of the ultrathin junction. The model is general; it is applied in particular to the Fe/Gd/Fe system with a sandwiched ferromagnetic Gd junction. It yields also the thermal conductivity due to the magnons coherent transmission between the two leads when these are maintained at slightly different temperatures. The calculation is carried out for state of the art values of the exchange constants, and elucidates the relation between the coherent scattering transmission of magnons and their thermal conductivity, for different thicknesses.

  20. Influence of hydrostatic pressure on BCC-lattice parameter in molybdenum, niobium and vanadium with rhenium solid solutions

    International Nuclear Information System (INIS)

    Smol'yaninova, Eh.A.; Stribuk, E.K.; Tyavlovskij, V.I.

    1987-01-01

    Data on the effect of 1.8GPa hydrostatic pressure on bcc lattice parameters of solid solutions in Mo-Re, Nb-Re, V-re systems are presented. It is shown that after the application hydrostatic pressure a decrease in bcc lattice parameter is observed and the greatest change in the lattice parameter takes place in bcc of solid solutions in the Nb-Re system (DELTA A ∼ 0.0035 nm). Analysis of the experimental data obtained on the basis of calculations made for packing density change in the above-mentioned solid solutions under the pressure is carried out

  1. X-ray magnetic circular dichroism study of epitaxial magnetite ultrathin film on MgO(100)

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W. Q.; Xu, Y. B., E-mail: yongbing.xu@york.ac.uk, E-mail: rzhang@nju.edu.cn [York-Nanjing International Center for Spintronics (YNICS), School of Electronics Science and Engineering, Nanjing University, Nanjing 210093 (China); Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); Song, M. Y.; Lin, J. G. [Center for Condensed Matter Sciences, National Taiwan University, Taipei 106, Taiwan (China); Maltby, N. J.; Li, S. P. [Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); Samant, M. G.; Parkin, S. S. P. [IBM Research Division, Almaden Research Center, San Jose, California 95120 (United States); Bencok, P.; Steadman, Paul; Dobrynin, Alexey [Diamond Light Source, Didcot OX11 0DE (United Kingdom); Zhang, R., E-mail: yongbing.xu@york.ac.uk, E-mail: rzhang@nju.edu.cn [York-Nanjing International Center for Spintronics (YNICS), School of Electronics Science and Engineering, Nanjing University, Nanjing 210093 (China)

    2015-05-07

    The spin and orbital magnetic moments of the Fe{sub 3}O{sub 4} epitaxial ultrathin film synthesized by plasma assisted simultaneous oxidization on MgO(100) have been studied with X-ray magnetic circular dichroism. The ultrathin film retains a rather large total magnetic moment, i.e., (2.73 ± 0.15) μ{sub B}/f.u., which is ∼70% of that for the bulk-like Fe{sub 3}O{sub 4}. A significant unquenched orbital moment up to 0.54 ± 0.05 μ{sub B}/f.u. was observed, which could come from the symmetry breaking at the Fe{sub 3}O{sub 4}/MgO interface. Such sizable orbital moment will add capacities to the Fe{sub 3}O{sub 4}-based spintronics devices in the magnetization reversal by the electric field.

  2. Modelling irradiation-induced softening in BCC iron by crystal plasticity approach

    International Nuclear Information System (INIS)

    Xiao, Xiazi; Terentyev, Dmitry; Yu, Long; Song, Dingkun; Bakaev, A.; Duan, Huiling

    2015-01-01

    Crystal plasticity model (CPM) for BCC iron to account for radiation-induced strain softening is proposed. CPM is based on the plastically-driven and thermally-activated removal of dislocation loops. Atomistic simulations are applied to parameterize dislocation-defect interactions. Combining experimental microstructures, defect-hardening/absorption rules from atomistic simulations, and CPM fitted to properties of non-irradiated iron, the model achieves a good agreement with experimental data regarding radiation-induced strain softening and flow stress increase under neutron irradiation. - Highlights: • A stress- and thermal-activated defect absorption model is proposed for the dislocation-loop interaction. • A temperature-dependent plasticity theory is proposed for the irradiation-induced strain softening of irradiated BCC metals. • The numerical results of the model match with the corresponding experimental data.

  3. Simulation of He embrittlement at grain boundaries in bcc transition metals

    International Nuclear Information System (INIS)

    Suzudo, Tomoaki; Yamaguchi, Masatake

    2015-01-01

    To investigate what atomic properties largely determine vulnerability to He embrittlement at grain boundaries (GB) of bcc metals, we introduce a computational model composed of first principles density functional theory and a He segregation rate theory model. Predictive calculations of He embrittlement at the first wall of the future DEMO fusion concept reactor indicate that variation in the He embrittlement originated not only from He production rate related to neutron irradiation, but also from the He segregation energy at the GB that has a systematic trend in the periodic table. - Highlights: • We modeled He grain boundary (GB) segregation of bcc transition metals using first-principles-based rate theory. • We established the quantitative relation between He embrittlement and He segregation using GB cohesive energy. • He embrittlement was strongly dependent on He segregation energy at the GB that has a systematic trend in the periodic table.

  4. Simulation of He embrittlement at grain boundaries in bcc transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Suzudo, Tomoaki, E-mail: suzudo.tomoaki@jaea.go.jp; Yamaguchi, Masatake

    2015-10-15

    To investigate what atomic properties largely determine vulnerability to He embrittlement at grain boundaries (GB) of bcc metals, we introduce a computational model composed of first principles density functional theory and a He segregation rate theory model. Predictive calculations of He embrittlement at the first wall of the future DEMO fusion concept reactor indicate that variation in the He embrittlement originated not only from He production rate related to neutron irradiation, but also from the He segregation energy at the GB that has a systematic trend in the periodic table. - Highlights: • We modeled He grain boundary (GB) segregation of bcc transition metals using first-principles-based rate theory. • We established the quantitative relation between He embrittlement and He segregation using GB cohesive energy. • He embrittlement was strongly dependent on He segregation energy at the GB that has a systematic trend in the periodic table.

  5. First-principles study of atomic ordering in bcc Cu-Al

    Science.gov (United States)

    Lanzini, F.; Gargano, P. H.; Alonso, P. R.; Rubiolo, G. H.

    2011-01-01

    The order-disorder transitions and phase stability in the body centered cubic structure of Cu-Al binary alloys are studied by means of theoretical methods. The total energy of different ordered compounds sharing a common bcc Bravais lattice was calculated within the framework of density functional theory. A set of effective cluster interactions was calculated through a cluster expansion (CE) of the total energies. The finite temperature phase diagram of bcc Cu-Al was obtained using the CE formalism coupled with the cluster variation method calculation of the configurational entropy. These results are confronted with a simpler semi-empirical approach based on effective pair interactions obtained from experiment. Both approaches predict a single first-order A2/DO3 transition for compositions close to Cu3Al, in agreement with the most recent experimental results.

  6. Modelling irradiation-induced softening in BCC iron by crystal plasticity approach

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Xiazi [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); CAPT, HEDPS and IFSA Collaborative Innovation Center of MoE, Peking University, Beijing 100871 (China); Terentyev, Dmitry, E-mail: dterenty@SCKCEN.BE [Structural Material Group, Institute of Nuclear Materials Science, SCK-CEN, Mol (Belgium); Yu, Long; Song, Dingkun [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); Bakaev, A. [Structural Material Group, Institute of Nuclear Materials Science, SCK-CEN, Mol (Belgium); Duan, Huiling, E-mail: hlduan@pku.edu.cn [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); CAPT, HEDPS and IFSA Collaborative Innovation Center of MoE, Peking University, Beijing 100871 (China)

    2015-11-15

    Crystal plasticity model (CPM) for BCC iron to account for radiation-induced strain softening is proposed. CPM is based on the plastically-driven and thermally-activated removal of dislocation loops. Atomistic simulations are applied to parameterize dislocation-defect interactions. Combining experimental microstructures, defect-hardening/absorption rules from atomistic simulations, and CPM fitted to properties of non-irradiated iron, the model achieves a good agreement with experimental data regarding radiation-induced strain softening and flow stress increase under neutron irradiation. - Highlights: • A stress- and thermal-activated defect absorption model is proposed for the dislocation-loop interaction. • A temperature-dependent plasticity theory is proposed for the irradiation-induced strain softening of irradiated BCC metals. • The numerical results of the model match with the corresponding experimental data.

  7. Metal-organic chemical vapor deposition of ultra-thin photovoltaic devices using a pyrite based p-i-n structure

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, A.J., E-mail: andy.clayton@optictechnium.com [CSER, Glyndwr University, OpTIC Technium, St Asaph, LL17 0JD (United Kingdom); Irvine, S.J.C.; Barrioz, V.; Brooks, W.S.M. [CSER, Glyndwr University, OpTIC Technium, St Asaph, LL17 0JD (United Kingdom); Zoppi, G.; Forbes, I. [NPAC, Northumbria University, Newcastle upon Tyne, NE1 8ST (United Kingdom); Rogers, K.D.; Lane, D.W.; Hutchings, K.; Roncallo, S. [Centre for Material Science and Engineering, Cranfield University, Swindon, SN6 8LA (United Kingdom)

    2011-08-31

    Ultra-thin photovoltaic (PV) devices were produced by atmospheric pressure metal organic chemical vapour deposition (AP-MOCVD) incorporating a highly absorbing intermediate sulphurised FeS{sub x} layer into a CdS/CdTe structure. X-ray diffraction (XRD) confirmed a transitional phase change to pyrite FeS{sub 2} after post growth sulphur (S) annealing of the FeS{sub x} layer between 400 deg. C and 500 deg. C. Devices using a superstrate configuration incorporating a sulphurised or non-sulphurised FeS{sub x} layer were compared to p-n devices with only a CdS/CdTe structure. Devices with sulphurised FeS{sub x} layers performed least efficiently, even though pyrite fractions were present. Rutherford back scattering (RBS) confirmed deterioration of the CdS/FeS{sub x} interface due to S inter-diffusion during the annealing process.

  8. Ultrathin, epitaxial cerium dioxide on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Flege, Jan Ingo, E-mail: flege@ifp.uni-bremen.de; Kaemena, Björn; Höcker, Jan; Schmidt, Thomas; Falta, Jens [Institute of Solid State Physics, University of Bremen, Otto-Hahn-Allee 1, 28359 Bremen (Germany); Bertram, Florian [Photon Science, Deutsches Elektronensynchrotron (DESY), Notkestraße 85, 22607 Hamburg (Germany); Wollschläger, Joachim [Department of Physics, University of Osnabrück, Barbarastraße 7, 49069 Osnabrück (Germany)

    2014-03-31

    It is shown that ultrathin, highly ordered, continuous films of cerium dioxide may be prepared on silicon following substrate prepassivation using an atomic layer of chlorine. The as-deposited, few-nanometer-thin Ce{sub 2}O{sub 3} film may very effectively be converted at room temperature to almost fully oxidized CeO{sub 2} by simple exposure to air, as demonstrated by hard X-ray photoemission spectroscopy and X-ray diffraction. This post-oxidation process essentially results in a negligible loss in film crystallinity and interface abruptness.

  9. Elementary spin excitations in ultrathin itinerant magnets

    Energy Technology Data Exchange (ETDEWEB)

    Zakeri, Khalil, E-mail: zakeri@mpi-halle.de

    2014-12-10

    Elementary spin excitations (magnons) play a fundamental role in condensed matter physics, since many phenomena e.g. magnetic ordering, electrical (as well as heat) transport properties, ultrafast magnetization processes, and most importantly electron/spin dynamics can only be understood when these quasi-particles are taken into consideration. In addition to their fundamental importance, magnons may also be used for information processing in modern spintronics. Here the concept of spin excitations in ultrathin itinerant magnets is discussed and reviewed. Starting with a historical introduction, different classes of magnons are introduced. Different theoretical treatments of spin excitations in solids are outlined. Interaction of spin-polarized electrons with a magnetic surface is discussed. It is shown that, based on the quantum mechanical conservation rules, a magnon can only be excited when a minority electron is injected into the system. While the magnon creation process is forbidden by majority electrons, the magnon annihilation process is allowed instead. These fundamental quantum mechanical selection rules, together with the strong interaction of electrons with matter, make the spin-polarized electron spectroscopies as appropriate tools to excite and probe the elementary spin excitations in low-dimensional magnets e.g ultrathin films and nanostructures. The focus is put on the experimental results obtained by spin-polarized electron energy loss spectroscopy and spin-polarized inelastic tunneling spectroscopy. The magnon dispersion relation, lifetime, group and phase velocity measured using these approaches in various ultrathin magnets are discussed in detail. The differences and similarities with respect to the bulk excitations are addressed. The role of the temperature, atomic structure, number of atomic layers, lattice strain, electronic complexes and hybridization at the interfaces are outlined. A possibility of simultaneous probing of magnons and phonons

  10. Emergence of the bcc Phase and Phase Transition in Be through Phonon Quasiparticle Calculations

    Science.gov (United States)

    Zhang, D. B., Sr.; Wentzcovitch, R. M.

    2016-12-01

    Beryllium (Be) is an important material with applications in a number of areas ranging from aerospace components to X-ray equipment. Yet a precise understanding of the phase diagram of Be remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticle properties. We find that the hcp to bcc transition occurs near the melting curve at 0

  11. Path-integral Monte Carlo study of phonons in the bcc phase of Helium-3

    OpenAIRE

    Sorkin, V.; Polturak, E.; Adler, Joan

    2006-01-01

    Using Path Integral Monte Carlo and the Maximum Entropy method, we calculate the dynamic structure factor of solid He-3 in the bcc phase at a finite temperature of T = 1.6 K and a molar volume of 21.5 cm^3. From the single phonon dynamic structure factor, we obtain both the longitudinal and transverse phonon branches along the main crystalline directions, [001], [011] and [111]. Our results are compared with other theoretical predictions and available experimental data.

  12. Atomistic model application to the problem of magnetite adhesion on iron BCC

    International Nuclear Information System (INIS)

    Forti; M; Alonso, P; Gargano, P; Rubiolo, G

    2012-01-01

    Oxide scale adhesion on a metal substrate has been investigated in the Magnetite - BCC Iron system. An Universal Binding Energy Relation (UBER) has been applied to obtain the interface energy from a fitting parameter. The interface energy thus calculated is in a reasonable order of magnitude when compared to experimental data for similar systems. This result allows this technique to be used to develop a comparative scale based on quantitative data which otherwise would require complex experiments to be obtained (author)

  13. 3D atomistic simulation of fatigue behavior of a ductile crack in bcc iron

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Machová, Anna; Hora, Petr

    2011-01-01

    Roč. 33, č. 9 (2011), s. 1182-1188 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : 3D molecular dynamics * fatigue * bcc iron * mode I Subject RIV: JG - Metallurgy Impact factor: 1.546, year: 2011 http://www.sciencedirect.com/science/article/pii/S0142112311000600

  14. Curie temperatures of fcc and bcc Nickel and Permalloy: Supercell and Green's function methods

    Czech Academy of Sciences Publication Activity Database

    Yu, P.; Jin, X.F.; Kudrnovský, Josef; Wang, D. S.; Bruno, P.

    2008-01-01

    Roč. 77, č. 5 (2008), 054431/1-054431/8 ISSN 1098-0121 R&D Projects: GA MŠk OC 150; GA AV ČR IAA100100616 Institutional research plan: CEZ:AV0Z10100520 Keywords : fcc - and bcc-Ni * Permalloy * magnetic moments * Curie temperatures Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

  15. Crack-induced stress, dislocations and acoustic emission by 3-D atomistic simulation in bcc iron

    Czech Academy of Sciences Publication Activity Database

    Spielmannová, Alena; Machová, Anna; Hora, Petr

    2009-01-01

    Roč. 57, č. 14 (2009), s. 4065-4073 ISSN 1359-6454 R&D Projects: GA ČR GA101/09/1630; GA AV ČR KJB200760802; GA ČR(CZ) GA101/07/0789 Institutional research plan: CEZ:AV0Z20760514 Keywords : bcc iron * crack * dislocation emisision Subject RIV: JG - Metallurgy Impact factor: 3.760, year: 2009

  16. Magnetostatic Interaction in Fe-Co Nanowires

    Directory of Open Access Journals (Sweden)

    Laura Elbaile

    2012-01-01

    Full Text Available Arrays of Fe-Co alloy nanowires with diameter around 35 nm and several micrometers in length have been synthesized by codepositing Fe and Co into porous anodic alumina. The morphology, structure, and magnetic properties of the nanowires (hysteresis loops and remanence curves were characterized by SEM, TEM, X-ray diffraction (XRD, and VSM, respectively. The XRD patterns indicate that the Fe-Co nanowires present a body-centered cubic (bcc structure and a preferred (110 orientation perpendicular to the template surface. From the hysteresis loops obtained with the magnetic field applied in the axis direction of the nanowires, we can observe that the coercive field slightly decreases when the nanowire length increases. This magnetic behaviour is analyzed considering the shape anisotropy and the dipolar interactions among nanowires.

  17. Impedance analysis on organic ultrathin layers

    Energy Technology Data Exchange (ETDEWEB)

    Bom, Sidhant; Wagner, Veit [Jacobs University Bremen, School of Engineering and Science, Campus Ring 8, 28759 Bremen (Germany)

    2008-07-01

    Impedance spectroscopy is a standard technique for thin film analysis to obtain important information as thicknesses, diffusion properties of mobile ions and leakage currents. The measured electrical impedance of a sample is modeled by a physical equivalent circuit of resistors and capacitors. In the present work this information is obtained as a function of frequency also for ultrathin organic layers in the monolayer regime. A series of semiconducting and insulating polymers (regioregular poly-3-hexylthiophene (rr-P3HT), polymethylmethacrylate (PMMA)) and self assembled monolayers (octadecyltrichlorosilane (OTS), hexamethyldisilazane (HMDS), thiolated phospholipids) were deposited either on highly n-doped silicon wafers or on gold surfaces. E.g. ultrathin layers were obtained by dip coating a silicon wafer in rr-P3HT solution in chloroform. The thickness of 2 nm determined for this system by impedance measurement agrees well with the atomic force microscopy analysis and corresponds to a single layer of polymer chains. The leakage current is seen as an ohmic contribution at low frequencies and allows a systematic optimization of process parameters. In summary, impedance spectroscopy allows very fast and convenient analysis of thin organic layers even down to the monolayer regime.

  18. Influence of the intermediate bcc phase on the evolution of superfluid inclusions in hcp matrix 3He-4He

    International Nuclear Information System (INIS)

    Birchenko, A.P.; Mikhin, N.P.; Neoneta, A.S.; Rudavskij, Eh.Ya.; Fisun, Ya.Yu.

    2016-01-01

    The evolution of liquid inclusions which are formed in the hcp matrix by rapid cooling of the 3 He- 4 He solution containing 1.05% 3 He was studied by pulse NMR. The diffusion coefficient of 3 He in the liquid was measured by two-pulses spin-echo method during evolution of the inclusions. Measurements were carried out at 1.67 K which corresponds to the bcc phase existence in the phase diagram, as well as at 1.38 K, where the bcc phase is absent. It is found that in the process of the evolution, in both cases the size of the liquid inclusions is less than diffusion length and so the diffusion is restricted. The measured restricted dif-fusion coefficient allowed to find the characteristic size of the inclusions. In the first case, during the evolution of liquid inclusions, dendrites of intermediate bcc phase is forming and the inclusions are separating into a lot of smaller droplets. Due to the rapid growth of the bcc dendrites, the droplet size decreases rapidly, and the process comes to disappearance of bcc phase and an amorphous state appearance. The results obtained by measuring the diffusion coefficient, correlated with the behavior of the spin-lattice relaxation time in such a system. In the second case at a lower temperature bcc phase is not formed, and the size of the liquid inclusions decreases very slow until the completion of their solidification.

  19. Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

    Science.gov (United States)

    Gong, Zhiqiang; Dogar, Muhammad Mubashar Ahmad; Qiao, Shaobo; Hu, Po; Feng, Guolin

    2017-09-01

    This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection. The differences of summer precipitation modes of the empirical orthogonal function and the bias of atmospheric circulations over EA-NWP are analyzed to determine the reason for the precipitation prediction errors. Results indicate that the BCC_CSM could not reproduce the positive-negative-positive meridional tripole pattern from south to north that differs markedly from that observed over the last 20 years. This failure can be attributed to the bias of the BCC_CSM hindcasts of the summer EAP teleconnection and the low predictability of 500 hPa at the mid-high latitude lobe of the EAP. Meanwhile, the BCC_CSM hindcasts' deficiencies of atmospheric responses to SST anomalies over the Indonesia maritime continent (IMC) resulted in opposite and geographically shifted geopotential anomalies at 500 hPa as well as wind and vorticity anomalies at 850 hPa, rendering the BCC_CSM unable to correctly reproduce the EAP teleconnection pattern. Understanding these two problems will help further improve BCC_CSM's summer precipitation forecasting ability over EA-NWP.

  20. Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

    KAUST Repository

    Gong, Zhiqiang

    2017-04-05

    This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection. The differences of summer precipitation modes of the empirical orthogonal function and the bias of atmospheric circulations over EA-NWP are analyzed to determine the reason for the precipitation prediction errors. Results indicate that the BCC_CSM could not reproduce the positive-negative-positive meridional tripole pattern from south to north that differs markedly from that observed over the last 20 years. This failure can be attributed to the bias of the BCC_CSM hindcasts of the summer EAP teleconnection and the low predictability of 500 hPa at the mid-high latitude lobe of the EAP. Meanwhile, the BCC_CSM hindcasts\\' deficiencies of atmospheric responses to SST anomalies over the Indonesia maritime continent (IMC) resulted in opposite and geographically shifted geopotential anomalies at 500 hPa as well as wind and vorticity anomalies at 850 hPa, rendering the BCC_CSM unable to correctly reproduce the EAP teleconnection pattern. Understanding these two problems will help further improve BCC_CSM\\'s summer precipitation forecasting ability over EA-NWP.

  1. Structural and magnetic properties of Fe{sub x}Ni{sub 100−x} alloys synthesized using Al as a reducing metal

    Energy Technology Data Exchange (ETDEWEB)

    Srakaew, N. [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Jantaratana, P., E-mail: fscipsj@ku.ac.th [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Nipakul, P. [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Sirisathitkul, C. [Molecular Technology Research Unit, School of Science, Walailak University, Nakhon Si Thammarat 80161 (Thailand)

    2017-08-01

    Highlights: • Reduction by aluminum is a simple and safe route to synthesize iron-nickel alloys. • Alloy compositions with up to 90 at.% Fe can be obtained with minimal oxidation. • Morphology and magnetic properties are varied with the alloy composition. - Abstract: Iron-nickel (Fe-Ni) alloys comprising nine different compositions were rapidly synthesized from the redox reaction using aluminum foils as the reducing metal. Compared with conventional chemical syntheses, this simple approach is relatively safe and allows control over the alloy morphology and magnetic behavior as a function of the alloy composition with minimal oxidation. For alloys having low (10%–30%) Fe content the single face-centered cubic (FCC) FeNi{sub 3} phase was formed with nanorods aligned in the (1 1 1) crystalline direction on the cluster surface. This highly anisotropic morphology gradually disappeared as the Fe content was raised to 40%–70% with the alloy structure possessing a mixture of FCC FeNi{sub 3} and body-centered cubic (BCC) Fe{sub 7}Ni{sub 3}. The FCC phase was entirely replaced by the BCC structure upon further increase the Fe content to 80%–90%. The substitution of Ni by Fe in the crystals and the dominance of the BCC phase over the FCC structure gave rise to enhanced magnetization. By contrast, the coercive field decreased as a function of increasing Fe because of the reduction in shape anisotropy and the rise of saturation magnetization.

  2. Electronic configuration of nFe/3Cr/nFe (n=1-6) trilayers in FM state

    International Nuclear Information System (INIS)

    Botana, J.; Pereiro, M.; Baldomir, D.; Arias, J.E.; Warda, K.; Wojtczak, L.

    2007-01-01

    Ab initio calculations have been performed on several ultrathin Fe/Cr/Fe trilayer systems in ferromagnetic configuration, with a fixed width of the spacer chromium slab of three atomic monolayers, and both iron slabs symmetrically varying in a range from 1 to 6 atomic monolayers. We have calculated the charge distribution of these trilayers and calculated and plotted the density of states of every one of them. We have identified Friedel-like oscillations of the charge distribution from the Mulliken population analysis in the Fe slabs

  3. A study of nitrogenation of a NdFe12-xMox compound by in situ neutron powder diffraction

    International Nuclear Information System (INIS)

    Loong, C.; Short, S.M.; Lin, J.; Ding, Y.

    1998-01-01

    The effects on the crystal lattice of a NdFe 12-x Mo x (x congruent 1.7) during controlled nitrogenation over the 25 endash 600 degree C temperature range were studied by neutron powder diffraction. Prior to nitrogenation the sample contained a major phase of NdFe 10.3 Mo 1.7 and a minor phase (∼12vol%) of bcc-Fe. The sample inside the furnace was connected to a closed volume of ultrapure nitrogen gas while neutron data were collected over regular time intervals during sequential heating. Substantial nitrogen absorption occurred between 500 and 600 degree C. During the nitrogenation process the NdFe 12-x Mo x N y lattice expanded while the bcc-Fe lattice contracted. An increasing decomposition of the compound into bcc-Fe at 600 degree C was observed. The average size of the NdFe 12-x Mo x N y crystalline grains decreased starting at ∼300 degree C, reaching a minimum at ∼500 degree C and then increased markedly at higher temperatures. The development of lattice strains, on the other hand, showed an opposite trend, i.e., a maximum at 500 degree C. copyright 1998 American Institute of Physics

  4. The atomic structure of Fe100-xCux nanoalloys: X-ray absorption analysis

    International Nuclear Information System (INIS)

    Kravtsova, A.N.; Yalovega, G.E.; Soldatov, A.V.; Yan, W.S.; Wei, S.Q.

    2009-01-01

    The local atomic structure of Fe 100-x Cu x nanoalloys (x = 0, 10, 20, 40, 60, 70, 80 and 100%) has been investigated by X-ray absorption near edge structure (XANES) analysis. Local environment around copper and iron atoms in Fe 100-x Cu x has been studied by comparing the experimental XANES with corresponding theoretical spectra calculated for several structural models. It has been established that the most probable structure of the Fe 100-x Cu x nanoalloys for a low concentration of copper (x = 10-20%) is a homogenous bcc structure, for a high copper concentration (x = 60-80%)-a homogenous fcc structure, while at an intermediate copper concentration (about 40%) the nanoalloys have an inhomogeneous structure consisting of clusters of fcc solid solution (90%) and of clusters of bcc solid solution (10%)

  5. Dual-layer ultrathin film optics: I. Theory and analysis

    International Nuclear Information System (INIS)

    Wang, Qian; Lim, Kim Peng

    2015-01-01

    This paper revisits dual-layer ultrathin film optics, which can be used for functional graded refractive index thin film stack. We present the detailed derivation including s-polarized and p-polarized light under arbitrary incidence angle showing the equivalence between the dual-layer ultrathin films and a negative birefringent thin film and also the approximations made during the derivation. Analysis of the approximations shows the influence of thickness of dual-layer thin films, the incidence angle and desired refractive index of the birefringent film. Numerical comparison between the titanium dioxide/aluminum oxide based dual-layer ultrathin film stack and the equivalent birefringent film verifies the theoretical analysis. The detailed theoretical study and numerical comparison provide a physical insight and design guidelines for dual-layer ultrathin film based optical devices. (paper)

  6. The Thickness Dependence of Optical Constants of Ultrathin Iron Films

    International Nuclear Information System (INIS)

    Gao Shang; Lian Jie; Wang Xiao; Li Ping; Sun Xiao-Fen; Li Qing-Hao

    2013-01-01

    Ultrathin iron films with different thicknesses from 7.1 to 51.7 nm are deposited by magnetron sputtering and covered by tantalum layers protecting them from being oxidized. These ultrathin iron films are studied by spectroscopic ellipsometry and transmittance measurement. An extra tantalum film is deposited under the same sputtering conditions and its optical constants and film thickness are obtained by a combination of ellipsometry and transmission measurement. After introducing these obtained optical constants and film thickness into the tantalum-iron film, the optical constants and film thicknesses of ultrathin iron films with different thicknesses are obtained. The results show that combining ellipsometry and transmission measurement improves the uniqueness of the obtained film thickness. The optical constants of ultrathin iron films depend strongly on film thicknesses. There is a broad absorption peak at about 370 nm and it shifts to 410 nm with film thickness decreasing

  7. Ultrathin microwave metamaterial absorber utilizing embedded resistors

    Science.gov (United States)

    Kim, Young Ju; Hwang, Ji Sub; Yoo, Young Joon; Khuyen, Bui Xuan; Rhee, Joo Yull; Chen, Xianfeng; Lee, YoungPak

    2017-10-01

    We numerically and experimentally studied an ultrathin and broadband perfect absorber by enhancing the bandwidth with embedded resistors into the metamaterial structure, which is easy to fabricate in order to lower the Q-factor and by using multiple resonances with the patches of different sizes. We analyze the absorption mechanism in terms of the impedance matching with the free space and through the distribution of surface current at each resonance frequency. The magnetic field, induced by the antiparallel surface currents, is formed strongly in the direction opposite to the incident electromagnetic wave, to cancel the incident wave, leading to the perfect absorption. The corresponding experimental absorption was found to be higher than 97% in 0.88-3.15 GHz. The agreement between measurement and simulation was good. The aspects of our proposed structure can be applied to future electronic devices, for example, advanced noise-suppression sheets in the microwave regime.

  8. Individual Magnetic Molecules on Ultrathin Insulating Surfaces

    Science.gov (United States)

    El Hallak, Fadi; Warner, Ben; Hirjibehedin, Cyrus

    2012-02-01

    Single molecule magnets have attracted ample interest because of their exciting magnetic and quantum properties. Recent studies have demonstrated that some of these molecules can be evaporated on surfaces without losing their magnetic properties [M. Mannini et al., Nature 468, 417, (2010)]. This remarkable progress enhances the chances of real world applications for these molecules. We present STM imaging and spectroscopy data on iron phthalocyanine molecules deposited on Cu(100) and on a Cu2N ultrathin insulating surface. These molecules have been shown to display a large magnetic anisotropy on another thin insulating surface, oxidized Cu(110) [N. Tsukahara et al., Phys. Rev. Lett. 102, 167203 (2009)]. By using a combination of elastic and inelastic electron tunnelling spectroscopy, we investigate the binding of the molecules to the surface and the impact that the surface has on their electronic and magnetic properties.

  9. Hyperfine Interactions and Some Magnetic Properties of Nanocrystalline Co40Fe50Ni10 and Co50Fe45Ni5 Alloys Prepared by Mechanical Synthesis and Subsequently Heat Treated

    International Nuclear Information System (INIS)

    Pikula, T.; Oleszak, D.; Pekala, M.

    2011-01-01

    Co 40 Fe 50 Ni 10 and Co 50 Fe 45 Ni 5 ternary alloys were prepared by mechanical alloying method. To check the stability of their structure thermal treatment was applied subsequently. As X-ray diffraction studies proved the final products of milling were the solid solutions with bcc lattice and the average grain sizes ranged of tens of nanometers. After heating of the Co 50 Fe 45 Ni 5 alloy up to 993 K the mixture of two solid solutions with bcc and fcc lattices was formed. In other cases thermal treatment did not change the type of the crystalline lattice. Moessbauer spectroscopy revealed hyperfine magnetic field distributions which reflected the different possible atomic surroundings of 57 Fe isotopes. Results of the macroscopic magnetic measurements proved that both investigated alloys had relatively good soft magnetic properties. (authors)

  10. Design of ultrathin Pt-Mo-Ni nanowire catalysts for ethanol electrooxidation.

    Science.gov (United States)

    Mao, Junjie; Chen, Wenxing; He, Dongsheng; Wan, Jiawei; Pei, Jiajing; Dong, Juncai; Wang, Yu; An, Pengfei; Jin, Zhao; Xing, Wei; Tang, Haolin; Zhuang, Zhongbin; Liang, Xin; Huang, Yu; Zhou, Gang; Wang, Leyu; Wang, Dingsheng; Li, Yadong

    2017-08-01

    Developing cost-effective, active, and durable electrocatalysts is one of the most important issues for the commercialization of fuel cells. Ultrathin Pt-Mo-Ni nanowires (NWs) with a diameter of ~2.5 nm and lengths of up to several micrometers were synthesized via a H 2 -assisted solution route (HASR). This catalyst was designed on the basis of the following three points: (i) ultrathin NWs with high numbers of surface atoms can increase the atomic efficiency of Pt and thus decrease the catalyst cost; (ii) the incorporation of Ni can isolate Pt atoms on the surface and produce surface defects, leading to high catalytic activity (the unique structure and superior activity were confirmed by spherical aberration-corrected electron microscopy measurements and ethanol oxidation tests, respectively); and (iii) the incorporation of Mo can stabilize both Ni and Pt atoms, leading to high catalytic stability, which was confirmed by experiments and density functional theory calculations. Furthermore, the developed HASR strategy can be extended to synthesize a series of Pt-Mo-M (M = Fe, Co, Mn, Ru, etc.) NWs. These multimetallic NWs would open up new opportunities for practical fuel cell applications.

  11. Ultrathin Polymer Films, Patterned Arrays, and Microwells

    Science.gov (United States)

    Yan, Mingdi

    2002-05-01

    The ability to control and tailor the surface and interface properties of materials is important in microelectronics, cell growth control, and lab-on-a-chip devices. Modification of material surfaces with ultrathin polymer films is attractive due to the availability of a variety of polymers either commercially or by synthesis. We have developed two approaches to the attachment of ultrathin polymer films on solid substrates. In the first method, a silane-functionalized perfluorophenyl azide (PFPA-silane) was synthesized and used to covalently immobilize polymer thin films on silicon wafers. Silanization of the wafer surface with the PFPA-silane introduced a monolayer of azido groups which in turn covalently attached the polymer film by way of photochemically initiated insertion reactions. The thickness of the film could be adjusted by the type and the molecular weight of the polymer. The method is versatile due to the general C-H and/or N-H insertion reactions of crosslinker; and therefore, no specific reactive functional groups on the polymers are required. Using this method, a new type of microwell array was fabricated from covalently immobilized polymer thin films on flat substrates. The arrays were characterized with AFM, XPS, and TOF-SIMS. The second method describes the attachment of polymer thin films on solid substrates via UV irradiation. The procedure consisted of spin-coating a polymer film and irradiating the film with UV light. Following solvent extraction, a thin film remained. The thickness of the film, from a few to over a hundred nanometers, was controlled by varying solution concentration and the molecular weight of the polymer.

  12. Comment on 'Extrinsic versus intrinsic ferroelectric switching: experimental investigations using ultra-thin PVDF Langmuir-Blodgett films'

    International Nuclear Information System (INIS)

    Naber, R C G; Blom, P W M; Leeuw, D M de

    2006-01-01

    Previous work on ultra-thin P(VDF-TrFE) Langmuir-Blodgett films has indicated a transition from extrinsic to intrinsic ferroelectric switching. The lack of several key features of intrinsic switching in the experimental work reported by Kliem et al argues against intrinsic switching. In this Comment we discuss two published papers and new experimental results that support a lack of intrinsic switching and point to the conclusion that the thickness dependence of the Langmuir-Blodgett films is due to the influence of the electrode interfaces. (comment)

  13. Calculation of thermodynamic equilibrium between bcc disordered solid solutions U and Mo

    International Nuclear Information System (INIS)

    Alonso, Paula R.; Rubiolo, Gerardo H.

    2003-01-01

    There is actually an interest to develop a new fuel with higher density for research reactors. Fuel plates would be obtained by dispersion, a method that requires both a very dense fuel dispersant (>15.0 g U/cm 3 ) and a very high volume loading of the dispersant (>55%). Dispersants based in gamma (BCC) stabilized uranium alloys are being investigated, as they are able to reach uranium densities of 17.0 g U/cm 3 . Among them, we focus in U(Mo) bcc solid solutions with the addition of ternary elements to stabilize gamma phase. Transition metals, 4d and 5d, of groups VII and VIII are good candidates for the ternary alloy U - Mo - X. Their relative power to stabilize gamma phase seems to be in close relation with bonding energies between atoms in the alloy. A first approach to the calculation of these energies has been performed by the semi empiric method of Miedema where only bonds between pairs are considered, neglecting ternary and quaternary bonds. There is also a lack of information concerning solubilities of the ternary elements in the ternary cubic phase. In this work we aim to calculate bonding energies between atoms in the alloy using a cluster expansion of the formation energy (T=0 K) of a series of bcc ordered compounds in the systems U-Mo-X. Then the calculation of the equilibrium phase diagram by the Cluster Variation Method will be done (CVM). We show here the first part of the investigation devoted to calculation of phases equilibria in the U Mo system Formation energies of the ordered compounds were obtained by the first principles methods TB-LMTO-ASA and FP-LAPW. Another set of bonding energies was calculated in order to fit the known experimental diagram and new formation energies for the ordered compounds were derived from them. Discrepancies between both sets are discussed. (author)

  14. Structural, magnetic and magneto-transport properties of thermally evaporated Fe/Cu multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, K.; Al-Busaidi, M.; Gismelseed, A.; Al-Rawas, A. [Physics Department, College of Science, Sultan Qabos University, P. O. Box 36, Postal Code 123, Al-Khodh, Muscat (Oman)

    2004-05-01

    Structural, magnetic and magneto-transport properties of thermally evaporated Fe/Cu multilayers (MLs) have been investigated. Although multilayered structure has been successfully obtained, a substantial interfacial roughness ranging from 0.6 nm to 1.2 nm has been determined. All Fe/Cu MLs were polycrystalline with an average grain size of about 10 nm. Fe was bcc and textured (110) whereas Cu was fcc(111). Transmission electron microscopy analysis showed that the fcc Cu layer was rather textured (110) and (100) at least in the first stage of growth of the Fe/Cu MLs. Conversion electron Moessbauer (CEMS) measurements indicated the existence of three phases. Two of them were magnetic with a dominant bcc Fe phase, followed by fcc Fe phase. The third phase was superparamagnetic. The CEMS results were explained in terms of the partial diffusion of Fe into Cu with three different zones. The small magnetoresistance (MR<0.2%) was correlated to Fe clusters located at Fe-Cu interfaces. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  15. A numerical study of crack initiation in a bcc iron system based on dynamic bifurcation theory

    International Nuclear Information System (INIS)

    Li, Xiantao

    2014-01-01

    Crack initiation under dynamic loading conditions is studied under the framework of dynamic bifurcation theory. An atomistic model for BCC iron is considered to explicitly take into account the detailed molecular interactions. To understand the strain-rate dependence of the crack initiation process, we first obtain the bifurcation diagram from a computational procedure using continuation methods. The stability transition associated with a crack initiation, as well as the connection to the bifurcation diagram, is studied by comparing direct numerical results to the dynamic bifurcation theory [R. Haberman, SIAM J. Appl. Math. 37, 69–106 (1979)].

  16. Comparison of void strengthening in fcc and bcc metals: Large-scale atomic-level modelling

    International Nuclear Information System (INIS)

    Osetsky, Yu.N.; Bacon, D.J.

    2005-01-01

    Strengthening due to voids can be a significant radiation effect in metals. Treatment of this by elasticity theory of dislocations is difficult when atomic structure of the obstacle and dislocation is influential. In this paper, we report results of large-scale atomic-level modelling of edge dislocation-void interaction in fcc (copper) and bcc (iron) metals. Voids of up to 5 nm diameter were studied over the temperature range from 0 to 600 K. We demonstrate that atomistic modelling is able to reveal important effects, which are beyond the continuum approach. Some arise from features of the dislocation core and crystal structure, others involve dislocation climb and temperature effects

  17. The changes in the electronic structure of B2 FeAl alloy with a Fe antisite and absorbed hydrogen

    International Nuclear Information System (INIS)

    Gonzalez, E.A.; Jasen, P.V.; Luna, R.; Bechthold, P.; Juan, A.; Brizuela, G.

    2009-01-01

    The electronic structure and bonding in a B2 FeAl alloy with and without hydrogen interaction with a Fe antisite were computed using a density functional theoretical method. The hydrogen absorption turns out to be a favorable process. The hydrogen was found close to an octahedral site where one of its Al capped is replaced by a Fe antisite. The Fe-H distance is of 1.45 A same as the Al-H distance. The density of states (DOS) curves show several peaks below the d metal band which is made up mostly of hydrogen based states (>50% H 1s ) while the metal contribution in this region includes mainly s and p orbitals. An electron transfer of nearby 0.21e - comes from the metal to the H. The overlap population values reveal metal-metal bond breaking, the intermetallic bond being the most affected. The H bond mainly with the Al atom and the reported Fe-H overlap population is much lower than that corresponding to FePd alloys and BCC Fe. The changes in the overlap population show the Fe-Al bond is weakened nearly 41.5% after H absorption, while the Fe-Fe bond is only weakened 34.5%. H also develops a stronger bond with the Al atoms. The main bond is developed with Al being twice stronger than Fe-H.

  18. Classification of different kinds of pesticide residues on lettuce based on fluorescence spectra and WT-BCC-SVM algorithm

    Science.gov (United States)

    Zhou, Xin; Jun, Sun; Zhang, Bing; Jun, Wu

    2017-07-01

    In order to improve the reliability of the spectrum feature extracted by wavelet transform, a method combining wavelet transform (WT) with bacterial colony chemotaxis algorithm and support vector machine (BCC-SVM) algorithm (WT-BCC-SVM) was proposed in this paper. Besides, we aimed to identify different kinds of pesticide residues on lettuce leaves in a novel and rapid non-destructive way by using fluorescence spectra technology. The fluorescence spectral data of 150 lettuce leaf samples of five different kinds of pesticide residues on the surface of lettuce were obtained using Cary Eclipse fluorescence spectrometer. Standard normalized variable detrending (SNV detrending), Savitzky-Golay coupled with Standard normalized variable detrending (SG-SNV detrending) were used to preprocess the raw spectra, respectively. Bacterial colony chemotaxis combined with support vector machine (BCC-SVM) and support vector machine (SVM) classification models were established based on full spectra (FS) and wavelet transform characteristics (WTC), respectively. Moreover, WTC were selected by WT. The results showed that the accuracy of training set, calibration set and the prediction set of the best optimal classification model (SG-SNV detrending-WT-BCC-SVM) were 100%, 98% and 93.33%, respectively. In addition, the results indicated that it was feasible to use WT-BCC-SVM to establish diagnostic model of different kinds of pesticide residues on lettuce leaves.

  19. Inherited textures in the bcc phase furnish information about the type of transformation from the fcc phase

    International Nuclear Information System (INIS)

    Jung, V.

    1982-07-01

    Drawing annealed cylindric 18/8 Cr Ni steels, which are originally free of textures, produces the transformed phases - hcp and bcc - both showing major texture contributions with increasing stretching of the cylindric specimens. After stretching the original fcc-phase shows two orientations: [100]fcc vertical stroke vertical stroke cylinder axis and [111]fcc vertical stroke vertical stroke cylinder axis, i.e. direction of stress. In both cases the martensitic phase is produced by gliding and shear in the sequence fcc → hcp → bcc by Nishiyama-Wasserman (N-W) or Kurdjumov-Sachs (K-S) transformation in the (111)fcc planes, which enclose a small angle with direction of stress, i.e. cylinder axis. The calculated orientation distributions of the (110)bcc reflex are compared with the distribution measured by neutron diffraction to get information on the bulk material. The special K-S transformation with only 6 (110)bcc orientations shows relatively good agreement with the measured distribution, except at small angles ω between the cylinder axis and the scattering vector. This might be caused by the isotropic fraction of the fcc phase producing an anisotropic (110)bcc orientation distribution. (orig.) [de

  20. Organometallic Routes into the Nanorealms of Binary Fe-Si Phases

    Directory of Open Access Journals (Sweden)

    Teddy M. Keller

    2010-02-01

    Full Text Available The Fe-Si binary system provides several iron silicides that have varied and exceptional material properties with applications in the electronic industry. The well known Fe-Si binary silicides are Fe3Si, Fe5Si3, FeSi, a-FeSi2 and b-FeSi2. While the iron-rich silicides Fe3Si and Fe5Si3 are known to be room temperature ferromagnets, the stoichiometric FeSi is the only known transition metal Kondo insulator. Furthermore, Fe5Si3 has also been demonstrated to exhibit giant magnetoresistance (GMR. The silicon-rich b-FeSi2 is a direct band gap material usable in light emitting diode (LED applications. Typically, these silicides are synthesized by traditional solid-state reactions or by ion beam-induced mixing (IBM of alternating metal and silicon layers. Alternatively, the utilization of organometallic compounds with reactive transition metal (Fe-carbon bonds has opened various routes for the preparation of these silicides and the silicon-stabilized bcc- and fcc-Fe phases contained in the Fe-Si binary phase diagram. The unique interfacial interactions of carbon with the Fe and Si components have resulted in the preferential formation of nanoscale versions of these materials. This review will discuss such reactions.

  1. Structural and magnetic properties of Fe-Al silica composites prepared by sequential ion implantation

    International Nuclear Information System (INIS)

    Julian Fernandez, C. de; Tagliente, M.A.; Mattei, G.; Sada, C.; Bello, V.; Maurizio, C.; Battaglin, G.; Sangregorio, C.; Gatteschi, D.; Tapfer, L.; Mazzoldi, P.

    2004-01-01

    The nanostructural and magnetic properties of Fe-Al/SiO 2 granular solids prepared by ion implantation have been investigated. A strong effect of the implantation order of the Fe and Al ions has been evidenced. By implanting first the Al ions and later Fe ions, 5-40 nm core-shell nanoparticles are formed with a magnetic behavior similar to that of Fe. The lattice parameter of the nanoparticles is consistent with that of the α-Fe. By changing the implantation order, 10-15 nm core-shell nanoparticles of a bcc Fe-based phase with a lattice 2.5% smaller than that of α-Fe are formed. The temperature dependence of the magnetization indicates a superparamagnetic behavior

  2. Structural and magnetic properties of Fe-Al silica composites prepared by sequential ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Julian Fernandez, C. de E-mail: dejulian@padova.infm.it; Tagliente, M.A.; Mattei, G.; Sada, C.; Bello, V.; Maurizio, C.; Battaglin, G.; Sangregorio, C.; Gatteschi, D.; Tapfer, L.; Mazzoldi, P

    2004-02-01

    The nanostructural and magnetic properties of Fe-Al/SiO{sub 2} granular solids prepared by ion implantation have been investigated. A strong effect of the implantation order of the Fe and Al ions has been evidenced. By implanting first the Al ions and later Fe ions, 5-40 nm core-shell nanoparticles are formed with a magnetic behavior similar to that of Fe. The lattice parameter of the nanoparticles is consistent with that of the {alpha}-Fe. By changing the implantation order, 10-15 nm core-shell nanoparticles of a bcc Fe-based phase with a lattice 2.5% smaller than that of {alpha}-Fe are formed. The temperature dependence of the magnetization indicates a superparamagnetic behavior.

  3. Stress induced martensitic transformation from bcc to fcc in Ag-Zn

    International Nuclear Information System (INIS)

    Takezawa, K.; Akamatsu, R.; Marukawa, K.

    1995-01-01

    The martensitic transformation in Ag-Zn alloys of low-Zn content has been studied by optical and electron microscopic observations and by tensile tests. The β 1 phase of B2 structure transforms to the thermo-elastic martensite having 9R structure similar to Cu-based alloys upon cooling to temperature below Ms. When the β 1 phase is stretched at room temperature, the slip deformation occurs at first and then the stress-induced martensite(SIM) of wedge-like morphology forms. The SIM has the ordered fcc structure containing micro-twins. This direct transformation from bcc to fcc is a unique feature in Ag-Zn alloys. In Cu alloys, martensites of fcc structure appear only after the second transformation from the first transformation product of 9R structure. The critical stress for the martensitic transformation and a degree of order of SIM decrease as the deformation temperature rises. In Ag-Zn alloys, the martensite of disordered fcc is thermally produced also by up-quenching to a higher temperature. In the present study, the relation between martensites of ordered and disordered fcc is discussed through thermodynamical calculations. The condition for the direct transformation from bcc to fcc is also examined. (orig.)

  4. Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

    Science.gov (United States)

    Dudarev, S. L.; Ma, Pui-Wai

    2018-03-01

    Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a orientation of the defect.

  5. Co thin film with metastable bcc structure formed on GaAs(111 substrate

    Directory of Open Access Journals (Sweden)

    Minakawa Shigeyuki

    2014-07-01

    Full Text Available Co thin films are prepared on GaAs(111 substrates at temperatures ranging from room temperature to 600 ºC by radio-frequency magnetron sputtering. The growth behavior and the detailed resulting film structure are investigated by in-situ reflection high-energy electron diffraction and X-ray diffraction. In early stages of film growth at temperatures lower than 200 ºC, Co crystals with metastable A2 (bcc structure are formed, where the crystal structure is stabilized through hetero-epitaxial growth. With increasing the film thickness beyond 2 nm, the metastable structure starts to transform into more stable A1 (fcc structure through atomic displacements parallel to the A2{110} close-packed planes. The crystallographic orientation relationship between the A2 and the transformed A1 crystals is A1{111} || A2{110}. When the substrate temperature is higher than 400 ºC, Ga atoms of substrate diffuse into the Co films and a Co-Ga alloy with bcc-based ordered structure of B2 is formed.

  6. Angular forces and melting in bcc transition metals: A case study of molybdenum

    International Nuclear Information System (INIS)

    Moriarty, J.A.

    1994-01-01

    Both the multi-ion and effective pair potentials also permit a large amount of supercooling of the liquid before the onset of freezing. With v 2 eff a bcc structure is nucleated at freezing, while with the multi-ion potentials an amorphous glasslike structure is obtained, which appears to be related to the energetically competitive A15 structure. In our second approach to melting, the multi-ion potentials have been used to obtain accurate solid and liquid free energies from quasiharmonic lattice dynamics and MD calculations of thermal energies and pressures. The resulting ion-thermal melting curve exactly overlaps the dynamically observed melting point, indicating that no superheating of the solid occurred in our MD simulations. To obtain a full melting curve, electron-thermal contributions to the solid and liquid free energies are added in terms of the density of electronic states at the Fermi level, ρ(E F ). Here the density of states for the solid has been calculated with the linear-muffin-tin-orbital method, while for the liquid tight-binding calculations have been used to justify a simple model. In the liquid ρ(E F ) is increased dramatically over the bcc solid, and the net effect of the electron-thermal contributions is to lower the calculated melting temperatures by about a factor of 2. A full melting curve to 2 Mbar has thereby been obtained and the calculated melting properties near zero pressure are in generally good agreement with experiment

  7. Multiscale modeling of dislocation processes in BCC tantalum: bridging atomistic and mesoscale simulations

    International Nuclear Information System (INIS)

    Yang, L H; Tang, M; Moriarty, J A

    2001-01-01

    Plastic deformation in bcc metals at low temperatures and high-strain rates is controlled by the motion of a/2 screw dislocations, and understanding the fundamental atomistic processes of this motion is essential to develop predictive multiscale models of crystal plasticity. The multiscale modeling approach presented here for bcc Ta is based on information passing, where results of simulations at the atomic scale are used in simulations of plastic deformation at mesoscopic length scales via dislocation dynamics (DD). The relevant core properties of a/2 screw dislocations in Ta have been obtained using quantum-based interatomic potentials derived from model generalized pseudopotential theory and an ab-initio data base together with an accurate Green's-function simulation method that implements flexible boundary conditions. In particular, the stress-dependent activation enthalpy for the lowest-energy kink-pair mechanism has been calculated and fitted to a revealing analytic form. This is the critical quantity determining dislocation mobility in the DD simulations, and the present activation enthalpy is found to be in good agreement with the previous empirical form used to explain the temperature dependence of the yield stress

  8. Structure and creep of Russian reactor steels with a BCC structure

    Science.gov (United States)

    Sagaradze, V. V.; Kochetkova, T. N.; Kataeva, N. V.; Kozlov, K. A.; Zavalishin, V. A.; Vil'danova, N. F.; Ageev, V. S.; Leont'eva-Smirnova, M. V.; Nikitina, A. A.

    2017-05-01

    The structural phase transformations have been revealed and the characteristics of the creep and long-term strength at 650, 670, and 700°C and 60-140 MPa have been determined in six Russian reactor steels with a bcc structure after quenching and high-temperature tempering. Creep tests were carried out using specially designed longitudinal and transverse microsamples, which were fabricated from the shells of the fuel elements used in the BN-600 fast neutron reactor. It has been found that the creep rate of the reactor bcc steels is determined by the stability of the lath martensitic and ferritic structures in relation to the diffusion processes of recovery and recrystallization. The highest-temperature oxide-free steel contains the maximum amount of the refractory elements and carbides. The steel strengthened by the thermally stable Y-Ti nanooxides has a record high-temperature strength. The creep rate at 700°C and 100 MPa in the samples of this steel is lower by an order of magnitude and the time to fracture is 100 times greater than that in the oxide-free reactor steels.

  9. Assessment and correction of BCC_CSM's performance in capturing leading modes of summer precipitation over North Asia

    KAUST Repository

    Gong, Zhiqiang

    2017-11-07

    This article examines the ability of Beijing Climate Center Climate System Model (BCC_CSM) in demonstrating the prediction accuracy and the leading modes of the summer precipitation over North Asia (NA). A dynamic-statistic combined approach for improving the prediction accuracy and the prediction of the leading modes of the summer precipitation over NA is proposed. Our results show that the BCC_CSM can capture part of the spatial anomaly features of the first two leading modes of NA summer precipitation. Moreover, BCC_CSM regains relationships such that the first and second mode of the empirical orthogonal function (EOF1 and EOF2) of NA summer precipitation, respectively, corresponds to the development of the El Niño and La Niña conditions in the tropical East Pacific. Nevertheless, BCC_CSM exhibits limited prediction skill over most part of NA and presents a deficiency in reproducing the EOF1\\'s and EOF2\\'s spatial pattern over central NA and EOF2\\'s interannual variability. This can be attributed as the possible reasons why the model is unable to capture the correct relationships among the basic climate elements over the central NA, lacks in its ability to reproduce a consistent zonal atmospheric pattern over NA, and has bias in predicting the relevant Sea Surface Temperature (SST) modes over the tropical Pacific and Indian Ocean regions. Based on the proposed dynamic-statistic combined correction approach, compared with the leading modes of BCC_CSM\\'s original prediction, anomaly correlation coefficients of corrected EOF1/EOF2 with the tropical Indian Ocean SST are improved from 0.18/0.36 to 0.51/0.62. Hence, the proposed correction approach suggests that the BCC_CSM\\'s prediction skill for the summer precipitation prediction over NA and its ability to capture the dominant modes could be certainly improved by choosing proper historical analogue information.

  10. The mechanism of bcc α′ nucleation in single hcp ε laths in the fcc γ → hcp ε → bcc α′ martensitic phase transformation

    International Nuclear Information System (INIS)

    Yang, Xu-Sheng; Sun, Sheng; Zhang, Tong-Yi

    2015-01-01

    High Resolution Transmission Electron Microscopy (HRTEM) and Molecular Dynamics (MD) simulations were conducted here to study the plastic deformation induced γ (fcc) → ε (hcp) → α′ (bcc) martensitic transformation in 304 stainless steels for the α′ nucleation from single hcp-ε laths. Results elucidate that the underlying microscopic mechanism for the α′ nucleation from single hcp-ε laths obeys the Bogers–Burgers–Olson–Cohen “3T/8–T/3” model. In particular, the atomic-scale observations clearly show the Kurdyumov–Sachs (K–S) lattice orientation relation (OR) and Pitsch OR at the γ/α′ interfaces, the lattice rotation inside an α′ martensitic inclusion, the transition lattice and the reverse shear-shuffling induced continuous lattice elastic deformation at the diffuse ε/α′ interface, which caters the 3T/8 and T/3 shears and sheds atomic process insight into the mechanism of the martensitic transformation

  11. Microstructure and magnetic properties of rapidly solidified nanocrystalline Fe81Zr7B12 alloy

    International Nuclear Information System (INIS)

    Xiong, X.Y.; Muddle, B.C.; Finlayson, T.R.

    2000-01-01

    Full text: Nanocrystalline Fe-Zr-B alloys have aroused extensive research interest due to their high saturation magnetization. There have been several studies [Suzuki et al., 1994; Kim et al., 1994] of the effect of boron on the formation of nanocrystalline structure and magnetic properties, showing that the addition of boron to Fe-Zr alloys improves the glass-forming ability and refines the primary bcc α-Fe grains during crystallization. However, when the boron content is increased to 8 at.%, the magnetic permeability is observed to decrease. There has been no detailed work to date concerning the microstructural evolution and magnetic properties in those alloys with higher boron content

  12. Moessbauer study of Fe-Al disordered alloys near the critical concentration

    International Nuclear Information System (INIS)

    Bohorquez, A.; Tabares, J.A.; Perez Alcazar, G.A.; Gancedo, J.R.

    1994-01-01

    Disordered bcc Fe 1-q Al q alloys in the composition range 0.5≤q≤0.6 were studied by Moessbauer effect measurements. The Moessbauer spectra at 300 K of all the samples consist of two paramagnetic sites, one is a singlet and the other a doublet with quadrupole splitting. The results can be interpreted by considering that the sites of this disordered system are arranged near the configurations of the Fe and Al sites of the Fe-Al ordered system. (orig.)

  13. Electron microscopy investigations of rapidly solidified Fe-Zr-B-Cu alloys

    International Nuclear Information System (INIS)

    Majumdar, B.; Arvindha Babu, D.; Akhtar, D.

    2010-01-01

    Rapidly solidified Fe-based nanocrystalline soft magnetic materials possess a unique combination of properties i,e high permeability, saturation and Curie temperature and very low coercivity which are otherwise not attainable in conventional soft magnetic materials. The alloys are processed by producing amorphous phase through melt spinning route followed by a partial devitrification for incorporation of nanocrystalline phase in the amorphous matrix. In this paper, detailed electron microscopic investigations of melt spun Fe-Zr-B-Cu alloys are presented. Melt spun ribbons of Fe 99-x-y Zr x BCu 1 alloys with x+y = 11 and x+y = 13 were prepared under different wheel speed conditions and then vacuum annealed for 1 h at different temperatures. The microstructure changes from completely amorphous to a cellular/dendritic bcc solid solution coexisting with the amorphous phase at intercellular/dendritic regions when Zr/B ratio or the process parameters are varied. Annealing leads to the precipitation of nanocrystalline bcc-Fe phase from both amorphous phase and already existing bcc solid solution. (author)

  14. Phase-field modeling of Mn-Ni-Si precipitate behavior on the bcc-Fe matrix

    International Nuclear Information System (INIS)

    Chang, Kun Ok; Kwon, Jun Hyun

    2016-01-01

    The formation of Mn-Ni-Si precipitate (hereafter MNS precipitate) is widely accepted by one of the main reasons of late stage hardening and embrittlement of Reactor Pressure Vessel (RPV) during nuclear power plant (NPP) operation. Since MNS precipitate is not considered in current regulatory model, this late stage hardening can be a limiting factor for life extension of nuclear power plants up to 80 or more years. The stability of the MNS precipitate was investigated from the thermodynamic view point and they concluded that MNS precipitate is a stable phase even with very little Cu contents, and they assessed UW1 thermodynamic database which can predict the thermodynamic stability of MNS precipitate at operating temperature of NPP ( ∼ 290 .deg. C). Based on the non-classical nucleation theory, we performed the phase-field modeling of nucleation and growth of MNS precipitate. The microstructure evolution of Mn-Ni-Cu precipitate has been simulated using the phase-field method and their approaches are focused on a role of the Cu contents. Also, a role of the interstitial loop on the nucleation and growth kinetics of MNS precipitate was analyzed.

  15. Scattering of ultrarelativistic electrons in ultrathin crystals

    Directory of Open Access Journals (Sweden)

    N.F. Shul'ga

    2017-06-01

    Full Text Available Quantum theory is proposed of high energy electrons scattering in ultrathin crystals. This theory is based upon a special representation of the scattering amplitude in the form of an integral over the surface surrounding the crystal, and on the spectral method of determination of the wave function. The comparison is performed of quantum and classical differential scattering cross-sections in the transitional range of crystal thicknesses, from those at which the channeling phenomenon is not developed up to those at which it is established. It is shown that in this thickness range the quantum scattering cross-section, unlike the classical one, contains sharp peaks corresponding to some specific scattering angles, that is connected with the diffraction of the incident plane wave onto the periodically distributed crystal atomic strings. It is shown that the value of the scattering cross-section in the peaks varies periodically with the change of the target thickness. We note that this must lead to a new interference effect in radiation that is connected with the rearrangement of incident wave packet in transitional area of crystal thicknesses.

  16. Scattering of ultrarelativistic electrons in ultrathin crystals

    Energy Technology Data Exchange (ETDEWEB)

    Shul' ga, N.F., E-mail: shulga@kipt.kharkov.ua [National Science Center “Kharkov Institute of Physics and Technology”, 1, Akademichna str., Kharkiv, 61108 (Ukraine); Karazin Kharkiv National University, 4, Svobody sq., Kharkiv, 61000 (Ukraine); Shulga, S.N. [National Science Center “Kharkov Institute of Physics and Technology”, 1, Akademichna str., Kharkiv, 61108 (Ukraine); Karazin Kharkiv National University, 4, Svobody sq., Kharkiv, 61000 (Ukraine)

    2017-06-10

    Quantum theory is proposed of high energy electrons scattering in ultrathin crystals. This theory is based upon a special representation of the scattering amplitude in the form of an integral over the surface surrounding the crystal, and on the spectral method of determination of the wave function. The comparison is performed of quantum and classical differential scattering cross-sections in the transitional range of crystal thicknesses, from those at which the channeling phenomenon is not developed up to those at which it is established. It is shown that in this thickness range the quantum scattering cross-section, unlike the classical one, contains sharp peaks corresponding to some specific scattering angles, that is connected with the diffraction of the incident plane wave onto the periodically distributed crystal atomic strings. It is shown that the value of the scattering cross-section in the peaks varies periodically with the change of the target thickness. We note that this must lead to a new interference effect in radiation that is connected with the rearrangement of incident wave packet in transitional area of crystal thicknesses.

  17. Ultrathin microwave absorber based on metamaterial

    International Nuclear Information System (INIS)

    Kim, Y J; Yoo, Y J; Hwang, J S; Lee, Y P

    2016-01-01

    We suggest that ultrathin broadband metamaterial is a perfect absorber in the microwave regime by utilizing the properties of a resistive sheet and metamaterial. Meta-atoms are composed of four-leaf clover-shape metallic patterns and a metal plane separated by three intermediate resistive sheet layers between four dielectric layers. We interpret the absorption mechanism of the broadband by using the distribution of surface currents at specific frequencies. The simulated absorption was over 99% in 1.8–4.2 GHz. The corresponding experimental absorption was also over 99% in 2.62–4.2 GHz; however, the absorption was slightly lower than 99% in 1.8–2.62 GHz because of the sheet resistance and the changed values for the dielectric constant. Furthermore, it is independent of incident angle. The results of this research indicate the possibility of applications, due to the suppression of noxious exposure, in cell phones, computers and microwave equipments. (paper)

  18. A Broadband Ultrathin Nonlinear Switching Metamaterial

    Directory of Open Access Journals (Sweden)

    E. Zarnousheh Farahani

    2017-05-01

    Full Text Available In this paper, an ultrathin planar nonlinear metamaterial slab is designed and simulated. Nonlinearity is provided through placing diodes in each metamaterial unit cell. The diodes are auto-biased and activated by an incident wave. The proposed structure represents a broadband switching property between two transmission and reflection states depending on the intensity of the incident wave. High permittivity values are presented creating a near zero effective impedance at low power states, around the second resonant mode of the structure unit cell; as the result, the incident wave is reflected. Increasing the incident power to the level which can activate the loaded diodes in the structure results in elimination of the resonance and consequently a drop in the permittivity values near the permeability one as well as a switch to the transmission state. A full wave as well as a nonlinear simulations are performed. An optimization method based on weed colonization is applied to the unit cell of the metamaterial slab to achieve the maximum switching bandwidth. The structure represents a 24% switching bandwidth of a 10 dB reduction in the reflection coefficient.

  19. XPS study of the ultrathin a-C:H films deposited onto ion beam nitrided AISI 316 steel

    International Nuclear Information System (INIS)

    Meskinis, S.; Andrulevicius, M.; Kopustinskas, V.; Tamulevicius, S.

    2005-01-01

    Effects of the steel surface treatment by nitrogen ion beam and subsequent deposition of the diamond-like carbon (hydrogenated amorphous carbon (a-C:H) and nitrogen doped hydrogenated amorphous carbon (a-CN x :H)) films were investigated by means of the X-ray photoelectron spectroscopy (XPS). Experimental results show that nitrogen ion beam treatment of the AISI 316 steel surface even at room temperature results in the formation of the Cr and Fe nitrides. Replacement of the respective metal oxides by the nitrides takes place. Formation of the C-N bonds was observed for both ultrathin a-C:H and ultrathin a-CN x :H layers deposited onto the nitrided steel. Some Fe and/or Cr nitrides still were presented at the interface after the film deposition, too. Increased adhesion between the steel substrate and hydrogenated amorphous carbon layer after the ion beam nitridation was explained by three main factors. The first two is steel surface deoxidisation/passivation by nitrogen as a result of the ion beam treatment. The third one is carbon nitride formation at the nitrided steel-hydrogenated amorphous carbon (or a-CN x :H) film interface

  20. Nature of the interfaces between the constituent phases in the high entropy alloy CoCrCuFeNiAl

    Energy Technology Data Exchange (ETDEWEB)

    Welk, Brian A.; Williams, Robert E.A.; Viswanathan, Gopal B. [Center for the Accelerated Maturation of Materials, Department of Materials Science and Engineering, The Ohio State University, 1305 Kinnear Road, Columbus, OH 43212 (United States); Gibson, Mark A. [CSIRO, Private Bag 33, Clayton, Victoria 3169 (Australia); Liaw, Peter K. [Department of Materials Science and Engineering, The University of Tennessee, 414 Ferris Hall, 1508 Middle Drive, Knoxville, TN 37996 (United States); Fraser, Hamish L., E-mail: fraser.3@osu.edu [Center for the Accelerated Maturation of Materials, Department of Materials Science and Engineering, The Ohio State University, 1305 Kinnear Road, Columbus, OH 43212 (United States)

    2013-11-15

    The interfaces between the phase separated regions in the dendritic grains of laser-deposited samples of the high entropy alloy CoCrCuFeNiAl have been studied using aberration-corrected analytical (scanning) transmission electron microscopy ((S)TEM). The compositional variations have been determined using energy dispersive x-ray spectroscopy (EDS) in (S)TEM. It was found that between B2, consisting mainly of Al, Ni, Co, and Fe, and disordered bcc phase, consisting mainly of Cr and Fe, there is a transition region, approximately 1.5 nm in width, over which the chemical composition changes from the B2 to that of the bcc phase. The crystal structure of this interfacial region is also B2, but with very different sublattice occupancy than that of the adjacent B2 compound. The structural aspects of the interface between the ordered B2 phase and the disordered bcc phase have been characterized using high angle annular dark-field (HAADF) imaging in STEM. It has been determined that the interfaces are essentially coherent, with the lattice parameters of the two B2 regions and the disordered bcc phase being more or less the same, the uncertainty arising from possible relaxations from the proximity of the surfaces of the thin foils used in imaging of the microstructures. Direct observations show that there is a planar continuity between all three constituent phases. - Highlights: • In the dendritic grains, there are two dominant phases, one with the ordered B2 structure, and the other disordered bcc. • From the intensity ratios in HAADF, the B2 phase appears to have a stoichiometry of the form Al(Ni, Co, and Fe). • Energy dispersive x-ray spectroscopy reveals the presence of an ordered interface transition region between the two phases. • Nanodiffraction in the Titan shows that the interface region is also ordered with the B2 crystal structure based on C.

  1. First principles calculations of the magnetic and hyperfine properties of Fe/N/Fe and Fe/O/Fe multilayers in the ground state of cohesive energy

    Science.gov (United States)

    dos Santos, A. V.; Samudio Pérez, C. A.; Muenchen, D.; Anibele, T. P.

    2015-01-01

    The ground state properties of Fe/N/Fe and Fe/O/Fe multilayers were investigated using the first principles calculations. The calculations were performed using the Linearized Augmented Plane Wave (LAPW) method implemented in the Wien2k code. A supercell consisting of one layer of nitride (or oxide) between two layers of Fe in the bcc structure was used to model the structure of the multilayer. The research in new materials also stimulated theoretical and experimental studies of iron-based nitrides due to their variety of structural and magnetic properties for the potential applications as in high strength steels and for high corrosion resistance. It is obvious from many reports that magnetic iron nitrides such as γ-Fe4N and α-Fe16N2 have interesting magnetic properties, among these a high magnetisation saturation and a high density crimp. However, although Fe-N films and multilayers have many potential applications, they can be produced in many ways and are being extensively studied from the theoretical point of view there is no detailed knowledge of their electronic structure. Clearly, efforts to understand the influence of the nitrogen atoms on the entire electronic structure are needed as to correctly interpret the observed changes in the magnetic properties when going from Fe-N bulk compounds to multilayer structures. Nevertheless, the N atoms are not solely responsible for electronics alterations in solid compounds. Theoretical results showed that Fe4X bulk compounds, where X is a variable atom with increasing atomic number (Z), the nature of bonding between X and adjacent Fe atoms changes from more covalent to more ionic and the magnetic moments of Fe also increase for Z=7, i.e. N. This is an indicative that atoms with a Z number higher than 7, i.e., O, can produce several new alterations in the entire magnetic properties of Fe multilayers. This paper presents the first results of an ab-initio electronic structure calculations, performed for Fe-N and Fe

  2. Moessbauer study of Fe-Co nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Chen Ziyu [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou (China)]. E-mail: chenzy@lzu.edu.cn; Zhan Qingfeng; Xue Desheng; Li Fashen [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou (China); Zhou Xuezhi; Kunkel, Henry; Williams, Gwyn [Department of Physics and Astronomy, the University of Manitoba (Canada)

    2002-01-28

    Arrays of Fe{sub 1-x}Co{sub x} (0.0{<=}x{<=}0.92) nanowires have been prepared by an electrochemical process, co-depositing Fe and Co atoms into the pores of anodic aluminium; their compositions were determined by atomic absorption spectroscopy. Transmission electron microscope results show that the nanowires are regularly spaced and uniform in shape with lengths of about 7.5 {mu}m and diameters of 20 nm. The x-ray diffraction indicates a texture in the deposited nanowires. For the composition below 82 at.% cobalt, the nanowires had a body-centred-cubic structure with a [110] preferred orientation. For the 92 at.% cobalt sample, the alloy exhibited a mixture of bcc and face-centred-cubic structure. The room temperature {sup 57}Fe Moessbauer spectra of the arrays of Fe{sub 1-x}Co{sub x} nanowires have second and fifth absorption lines of the six-line pattern with almost zero intensity, indicating that the internal magnetic field in the nanowires lies along the long axis of the nanowire. The maximum values of the hyperfine field (B{sub hf} 36.6{+-}0.1 T) and isomer shift (IS=0.06{+-}0.01 mm s-1) occur for 44 at.% cobalt. The variations of the isomer shift and the linewidths with composition indicate that the Fe{sub 1-x}Co{sub x} alloy nanowires around the equiatomic composition are in an atomistic disordered state. (author)

  3. Ultrathin and stable Nickel films as transparent conductive electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Grilli, M.L., E-mail: marialuisa.grilli@enea.it [ENEA, Materials Technology Unit, Via Anguillarese 301, 00123 Rome (Italy); Di Sarcina, I. [ENEA, Materials Technology Unit, Via Anguillarese 301, 00123 Rome (Italy); Bossi, S. [ENEA, Robotics Laboratory, Via Anguillarese 301, 00123 Rome (Italy); The Biorobotics Institute, Scuola Superiore Sant' Anna, Viale Rinaldo Piaggio 34, 56025 Pontedera, Pisa (Italy); Rinaldi, A.; Pilloni, L.; Piegari, A. [ENEA, Materials Technology Unit, Via Anguillarese 301, 00123 Rome (Italy)

    2015-11-02

    Ultrathin stable transparent conductive nickel films were deposited on quartz substrates by radio frequency sputtering at room temperature. Such films showed visible transmittance up to 80% and conductivity up to 1.8 × 10{sup 4} S/cm, further increased to 2,3 × 10{sup 5} S/cm by incorporation of a micrometric silver grid. Atomic force microscopy and scanning electron microscopy revealed quite compact, smooth and low surface roughness films. Excellent film stability, ease, fast and low cost process fabrication make these films highly competitive compared to indium tin oxide alternative transparent conductors. Films were characterized regarding their morphological, optical and electrical properties. - Highlights: • Indium-free transparent conductors are proposed. • Ultrathin Ni films are fabricated with a very fast process at room temperature. • Films have conductivity values up to 1.8 × 10{sup 4} S/cm. • Ni ultrathin films are good candidates for UV and NIR optoelectronic applications.

  4. Nanocoatings and ultra-thin films technologies and applications

    CERN Document Server

    Tiginyanu, Ion

    2011-01-01

    Gives a comprehensive account of the developments of nanocoatings and ultra-thin films. This book covers the fundamentals, processes of deposition and characterisation of nanocoatings, as well as the applications. It is suitable for the glass and glazing, automotive, electronics, aerospace, construction and biomedical industries in particular.$bCoatings are used for a wide range of applications, from anti-fogging coatings for glass through to corrosion control in the aerospace and automotive industries. Nanocoatings and ultra-thin films provides an up-to-date review of the fundamentals, processes of deposition, characterisation and applications of nanocoatings. Part one covers technologies used in the creation and analysis of thin films, including chapters on current and advanced coating technologies in industry, nanostructured thin films from amphiphilic molecules, chemical and physical vapour deposition methods and methods for analysing nanocoatings and ultra-thin films. Part two focuses on the applications...

  5. Optimization of L1{sub 0} FePt/Fe{sub 45}Co{sub 55} thin films for rare earth free permanent magnet applications

    Energy Technology Data Exchange (ETDEWEB)

    Giannopoulos, G., E-mail: g.giannopoulos@inn.demokritos.gr; Psycharis, V.; Niarchos, D. [INN, NCSR Demokritos, Athens 15310 (Greece); Reichel, L. [IFW Dresden, P.O. Box 270116, 01171 Dresden (Germany); TU Dresden, Institute for Materials Science, 01062 Dresden (Germany); Markou, A.; Panagiotopoulos, I. [Department of Materials Science and Engineering, University of Ioannina, Ioannina 45110 (Greece); Damm, C.; Fähler, S. [IFW Dresden, P.O. Box 270116, 01171 Dresden (Germany); Khan, Imran; Hong, Jisang [Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2015-06-14

    The magnetic properties of magnetron sputtered bilayers consisting of Fe{sub 45}Co{sub 55} ultrathin layers on top of L1{sub 0} FePt films epitaxially grown on MgO substrates are studied in view of their possible application as rare earth free permanent magnets. It is found that FePt layers induce a tetragonal distortion to the Fe-Co layers which leads to increased anisotropy. This allows to take advantage of the Fe-Co high magnetic moment with less significant loss of the coercivity compared to a typical hard/soft exchange spring system. A maximum energy product approaching 50 MGOe is obtained for a FePt(7 ML)/FeCo/(5 ML) sample. The results are in accordance with first-principles computational methods, which predict that even higher energy products are possible for micromagnetically optimized microstructures.

  6. Mössbauer and XRD study of the Fe65Si35 alloy obtained by mechanical alloying

    International Nuclear Information System (INIS)

    Vélez, G. Y.; Rodríguez, R. R.; Melo, C. A.; Pérez Alcázar, G. A.; Zamora, Ligia E.; Tabares, J. A.

    2011-01-01

    A study was made on the alloy Fe 65 Si 35 using x-ray diffraction and Mössbauer spectrometry. The alloy was obtained by mechanical alloying in a high energy planetary mill, with milling times of 15, 30, 50, 75 and 100 h. The results show that in the alloys two structural phases are present, a Fe-Si BCC disordered phase and ferromagnetic, and a Fe-Si SC phase, whose nature is paramagnetic and which decreases with milling time. In the temporal evolution of the milling two stages are differentiated: one between 15 and 75 h of milling, in which silicon atoms diffuse into the bcc matrix of iron and its effect is to reduce the hyperfine magnetic field; the other, after 75 h of milling, where the alloy is consolidated, the effect of the milling is only to increase the disorder of the system, increasing the magnetic order.

  7. Atomic structure of Fe thin-films on Cu(0 0 1) studied with stereoscopic photography

    International Nuclear Information System (INIS)

    Hattori, Azusa N.; Fujikado, M.; Uchida, T.; Okamoto, S.; Fukumoto, K.; Guo, F.Z.; Matsui, F.; Nakatani, K.; Matsushita, T.; Hattori, K.; Daimon, H.

    2004-01-01

    The complex magnetic properties of Fe films epitaxially grown on Cu(0 0 1) have been discussed in relation to their atomic structure. We have studied the Fe films on Cu(0 0 1) by a new direct method for three-dimensional (3D) atomic structure analysis, so-called 'stereoscopic photography'. The forward-focusing peaks in the photoelectron angular distribution pattern excited by the circularly polarized light rotate around the light axis in either clockwise or counterclockwise direction depending on the light helicity. By using a display-type spherical mirror analyzer for this phenomenon, we can obtain stereoscopic photographs of atomic structure. The photographs revealed that the iron structure changes from bcc to fcc and almost bcc structure with increasing iron film thickness

  8. Study of the multiple exchange frequencies in bcc 3He by thermodynamic measurements

    International Nuclear Information System (INIS)

    Bernier, M.; Suaudeau, E.; Roger, M.

    1987-08-01

    To study the multiple exchange hamiltonian of solid 3 He we measured the contribution of the spin exchange to the pressure of bcc solid in various magnetic fields (O≤ H≤ 7.5T). Due to the nature of the atomic exchange of a fermion system this contribution is a strong function of the spin polarization. The characteristic frequencies of the exchange hamiltonian are obtained by fitting the pressure measurements with the results of a statistical calculation using a high temperature series expansion of the hamiltonian in a temperature range where both the magnetic effect is significant and the expansion converges (7mK < T < 30mK). We discuss the results obtained for two molar volumes

  9. Indium-defect interactions in FCC and BCC metals studied using the modified embedded atom method

    Energy Technology Data Exchange (ETDEWEB)

    Zacate, M. O., E-mail: zacatem1@nku.edu [Northern Kentucky University, Department of Physics, Geology, and Engineering Technology (United States)

    2016-12-15

    With the aim of developing a transferable potential set capable of predicting defect formation, defect association, and diffusion properties in a wide range of intermetallic compounds, the present study was undertaken to test parameterization strategies for determining empirical pair-wise interaction parameters in the modified embedded atom method (MEAM) developed by Baskes and coworkers. This report focuses on indium-solute and indium-vacancy interactions in FCC and BCC metals, for which a large set of experimental data obtained from perturbed angular correlation measurements is available for comparison. Simulation results were found to be in good agreement with experimental values after model parameters had been adjusted to reproduce as best as possible the following two sets of quantities: (1) lattice parameters, formation enthalpies, and bulk moduli of hypothetical equiatomic compounds with the NaCl crystal structure determined using density functional theory and (2) dilute solution enthalpies in metals as predicted by Miedema’s semi-empirical model.

  10. Itinerant-electron antiferromagnetism and superconductivity in bcc Cr-Re alloys

    International Nuclear Information System (INIS)

    Nishihara, Y.; Yamaguchi, Y.; Kohara, T.; Tokumoto, M.

    1985-01-01

    The magnetic and superconducting properties of bcc Cr-Re alloys with up to 40 at. % Re were studied via measurements of the magnetic susceptibility, electrical resistivity, and nuclear magnetic resonance of the Re nuclei. Antiferromagnetic order coexists with superconductivity above 18 at. % Re. The results were analyzed with the coexistence model of spin-density waves and superconductivity. In the Re-concentration range greater than 18 at. %, about 10% of the Fermi surface satisfies the nesting condition and the rest of it contributes to form the superconducting gap. This model also explains the increase in the superconducting transition temperature and the decrease in the magnetic susceptibility by annealing as a competing effect between spin-density waves and superconductivity

  11. Nuclear spin relaxation due to hydrogen diffusion in b.c.c. metals

    International Nuclear Information System (INIS)

    Faux, D.A.; Hall, C.K.

    1989-01-01

    We present Monte Carlo simulation results for the proton-proton contribution to the T 1 -1 relaxation rate for hydrogen spins diffusing on the tetrahedral sites of a b.c.c. metal. It is assumed that each hydrogen blocks all sites to the zeroth (no multiple-occupancy), second or third neighbour and that longer-range interactions may be neglected. Comparisons are made to the BPP and Torrey models. It is found that both the BPP and Torrey models give reasonable values for the peak height but that their predictions for the peak position and the high- and low-temperature limit are in error, particularly for large blocking distances. (orig.)

  12. Thermodynamic properties of bcc crystals at high temperatures: The transition metals

    International Nuclear Information System (INIS)

    MacDonald, R.A.; Shukla, R.C.

    1985-01-01

    The second-neighbor central-force model of a bcc crystal, previously used in lowest-order anharmonic perturbation theory to calculate the thermodynamic properties of the alkali metals, is here applied to the transition metals V, Nb, Ta, Mo, and W. The limitations of the model are apparent in the thermal-expansion results, which fall away from the experimental trend above about 1800 K. The specific heat similarly fails to exhibit the sharp rise that is observed at higher temperatures. A static treatment of vacancies cannot account for the difference between theory and experiment. The electrons have been taken into account by using a model that specifically includes d-band effects in the electron ground-state energy. The results thus obtained for the bulk moduli are quite satisfactory. In the light of these results, we discuss the prerequisites for a better treatment of metals when the electrons play an important role in determining the thermodynamic properties

  13. Microstructural studies of hydrogen and deuterium in bcc refractory metals. Final technical report

    International Nuclear Information System (INIS)

    Moss, S.C.

    1984-04-01

    Research was conducted on the microstructural atomic arrangements in alloys of hydrogen and deuterium with bcc refractory metals with emphasis on V and Nb. Because these are interstitial phases in which the host metal lattice is substantially deformed by the incorporation of the H(D) atoms, there are pronounced x-ray scattering effects. X-ray diffraction was used, with neutron scattering providing useful corollary data. One objective was to determine the phase relations, solid solution structures and phase transitions in metal-hydride alloys which depend upon the hydrogen-hydrogen interaction via the displacement field of the metal atoms. This has often included the elucidation of subtle thermodynamic properties (as in critical wetting) which are revealed in structural studies. Crystals were supplied for positron annihilation studies of the Fermi surface of H-Ta alloys which have revealed significant electronic trends. Work on alkali-graphite intercalates was initiated

  14. Interactions of foreign interstitial and substitutional atoms in bcc iron from ab initio calculations

    Science.gov (United States)

    You, Y.; Yan, M. F.

    2013-05-01

    C and N atoms are the most frequent foreign interstitial atoms (FIAs), and often incorporated into the surface layers of steels to enhance their properties by thermochemical treatments. Al, Si, Ti, V, Cr, Mn, Co, Ni, Cu, Nb and Mo are the most common alloying elements in steels, also can be called foreign substitutional atoms (FSAs). The FIA and FSA interactions play an important role in the diffusion of C and N atoms, and the microstructures and mechanical properties of surface modified layers. Ab initio calculations based on the density functional theory are carried out to investigate FIA interactions with FSA in ferromagnetic bcc iron. The FIA-FSA interactions are analyzed systematically from five aspects, including interaction energies, density of states (DOS), bond populations, electron density difference maps and local magnetic moments.

  15. Assessment of the structural relations between the bcc and omega phases of Ti, Zr, Hf and other transition metals

    International Nuclear Information System (INIS)

    Aurelio, G.; Guillermet, A.F.

    2000-01-01

    The name omega (Ω) phase refers to a high-pressure structural modification of the transition metals (TMs) Ti, Zr, and Hf. In alloys of Ti, Zr and Hf with other TMs, the Ω phase can be formed and retained metastably at room temperature by quenching the bcc structure, which is usually the stable high-temperature phase in these alloy systems. As a part of a systematic investigation of the structural and bonding properties of the bcc and Ω phases, and of the bcc → Ω phase transformation in TMs and alloys, we present in this paper a detailed analysis of the structural relations between these phases in Ti, Zr, Hf and in other TMs. The approach is as follows. First, we establish the most general geometrical relations connecting the lattice parameters and interatomic distances (IDs) of the bcc and Ω structures. Next, we focus on the ratio between the relevant IDs of these phases, which are assessed on the basis of an extensive database with experimental and theoretical information. Both stable and metastable structures are considered, and various remarkable regularities in ID ratios are discussed. Finally, in the light of the systematics of ID ratios established in the present work, a discussion is made of the probable lattice parameters for the Ω phase of Hf, which are not yet accurately known from direct measurements. (orig.)

  16. Assessment and correction of BCC_CSM's performance in capturing leading modes of summer precipitation over North Asia

    KAUST Repository

    Gong, Zhiqiang; Dogar, Muhammad Mubashar; Qiao, Shaobo; Hu, Po; Feng, Guolin

    2017-01-01

    in the tropical East Pacific. Nevertheless, BCC_CSM exhibits limited prediction skill over most part of NA and presents a deficiency in reproducing the EOF1's and EOF2's spatial pattern over central NA and EOF2's interannual variability. This can be attributed

  17. Investigation of irradiation strengthening of b.c.c. metals and their alloys. Progress report, January 1976--October 1976

    International Nuclear Information System (INIS)

    1976-01-01

    Research on irradiation of bcc metals and alloys is reported. Data and information are presented in appendixes on low temperature neutron irradiation of Nb, effects of tritium on the yield stress of Nb, multiple dislocation motion, dislocation group motion, dislocation kinetics, and computer simulation of dislocation motion

  18. Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

    KAUST Repository

    Gong, Zhiqiang; Dogar, Muhammad Mubashar; Qiao, Shaobo; Hu, Po; Feng, Guolin

    2017-01-01

    This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection

  19. SCC, Bowen's disease and BCC arising on chronic radiation dermatitis due to radiation therapy for tinea pedis

    International Nuclear Information System (INIS)

    Aoki, Eri; Aoki, Mikako; Ikemura, Akiko; Igarashi, Tsukasa; Suzuki, Kayano; Kawana, Seiji

    2000-01-01

    We reported a case who developed three different types of skin cancers: SCC, BCC, and Bowen's disease, on the chronic radiation dermatitis. He had been treated for his tinea pedis et palmaris with radiotherapy in 1940's. It is very ratre that three different types of skin cancers arise in the same patient. This is a second case reported in Japan. (author)

  20. Interfacial magnetic coupling between Fe nanoparticles in Fe–Ag granular alloys

    International Nuclear Information System (INIS)

    Alonso, J; Fdez-Gubieda, M L; Sarmiento, G; Chaboy, J; Boada, R; García Prieto, A; Haskel, D; Laguna-Marco, M A; Lang, J C; Meneghini, C; Fernández Barquín, L; Neisius, T; Orue, I

    2012-01-01

    The role of the interface in mediating interparticle magnetic interactions has been analysed in Fe 50 Ag 50 and Fe 55 Ag 45 granular thin films deposited by the pulsed laser deposition technique (PLD). These samples are composed of crystalline bcc Fe (2–4 nm) nanoparticles and fcc Ag (10–12 nm) nanoparticles, separated by an amorphous Fe 50 Ag 50 interface, occupying around 20% of the sample volume, as determined by x-ray diffraction (XRD), x-ray absorption spectroscopy (XAS), and high resolution transmission electron microscopy (HRTEM). Interfacial magnetic coupling between Fe nanoparticles is studied by dc magnetization and x-ray magnetic circular dichroism (XMCD) measurements at the Fe K and Ag L 2,3 edges. This paper reveals that these thin films present two magnetic transitions, at low and high temperatures, which are strongly related to the magnetic state of the amorphous interface, which acts as a barrier for interparticle magnetic coupling.

  1. Deformation behaviour of body centered cubic Fe nanowires under tensile and compressive loading

    OpenAIRE

    Sainath, G.; Choudhary, B. K.; Jayakumar, T.

    2014-01-01

    Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of /{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used to describe the interatomic interactions. The simulations were carried out at 10 K with a constant strain rate of $1\\times10^{8}$ $s^{-1}$. The results indicate a significant differences in deformation mechanisms under tensile and compressive loading. Under ten...

  2. A first principles study of adhesion and electronic structure at Fe (110)/graphite (0001) interface

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yangzhen; Xing, Jiandong; Li, Yefei, E-mail: yefeili@126.com; Sun, Liang; Wang, Yong

    2017-05-31

    Highlights: • The surface energy of graphite (0001) and Fe (110) has been calculated and the number of layers of graphite slab and Fe slab has been estimated. • The work of adhesion of Fe (110)/graphite (0001) interface with different interfacial separation d{sub 0} (1.7–3 Å) has been systematically discussed. • The total electron density and electron density difference of Fe (110)/graphite (0001) are used to study the bonding characteristics. • The Interfacial energy and fracture toughness of Fe (110)/graphite (0001) are estimated. - Abstract: Using first–principles calculations, we discuss the bulk properties of bcc Fe and graphite and that of the surface, the work of adhesion, and the electronic structure of Fe (110)/graphite (0001) interface. In this study, the experimental results of the bulk properties of bcc Fe and graphite reveal that our adopted parameters are reliable. Moreover, the results of surface energy demonstrate that nine atomic layers of graphite (0001) and five atomic layers of Fe (110) exhibit bulk–like interiors. The lattice mismatch of Fe (110)/graphite (0001) interface is about 6%. The results also exhibit that the Fe atom residing on top of the second layer of graphite slab (HCP structure) is the preferred stacking sequence. The work of adhesion (W{sub ad}) of the optimized Fe/graphite interface of HCP structure is 1.36 J/m{sup 2}. Electronic structures indicate that the bonding characteristics are a mixture of covalent and ionic bonds in the HCP interface. Moreover, the magnetic moment of atoms at the interface was studied using the spin polarized density of states.

  3. Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

    International Nuclear Information System (INIS)

    Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

    2015-01-01

    Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

  4. Synthesis and properties of Fe/Ni nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Kozlovskiy, A. L., E-mail: artem88sddt@mail.ru; Zdorovets, M. V. [Institute of Nuclear Physics (Kazakhstan); Kadyrzhanov, K. K. [Eurasian National University (Kazakhstan)

    2016-09-15

    Fe/Ni nanotubes were formed in pores of polyethylenterephtalate-based template matrices by electrochemical deposition. The inner diameter, wall height, and thickness of the nanostructures, as well as the elemental and phase compositions, can be controlled by varying the deposition conditions. The volume deposition rate constants have been determined for each potential difference, due to which the nanostructure growth could be controlled. An X-ray diffraction analysis of the samples obtained at a potential difference of 1-1.6 V has revealed their composition to correspond to the substitutional solid solution, with an iron atom replaced by a nickel atom and dominance of the bcc a-Fe phase. The samples obtained at a potential difference of 1.8–2 V contain the bcc a-Fe phase and fcc Ni phase; the fcc phase dominates in the sample obtained at a potential difference of 2 V, which can be related to the high Ni content in nanotubes.

  5. A route to ultrathin quantum gases at polar perovskite heterointerfaces

    KAUST Repository

    Nazir, Safdar; Schwingenschlö gl, Udo

    2012-01-01

    that is confined to an ultrathin slab of only 5.6 Å thickness. Electronegative cations therefore are a promising way to enhance the quantum nature of hole gases. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Dynamic response of ultrathin highly dense ZIF-8 nanofilms.

    Science.gov (United States)

    Cookney, Joanna; Ogieglo, Wojciech; Hrabanek, Pavel; Vankelecom, Ivo; Fila, Vlastimil; Benes, Nieck E

    2014-10-11

    Ultrathin ZIF-8 nanofilms are prepared by facile step-by-step dip coating. A critical withdrawal speed allows for films with a very uniform minimum thickness. The high refractive index of the films denotes the absence of mesopores. The dynamic response of the films to CO2 exposure resembles behaviour observed for non-equilibrium organic polymers.

  7. Dynamic response of ultrathin highly dense ZIF-8 nanofilms

    OpenAIRE

    Cookney, J.; Ogieglo, Wojciech; Hrabanek, P.; Vankelecom, I.; Fila, V.; Benes, Nieck Edwin

    2014-01-01

    Ultrathin ZIF-8 nanofilms are prepared by facile step-by-step dip coating. A critical withdrawal speed allows for films with a very uniform minimum thickness. The high refractive index of the films denotes the absence of mesopores. The dynamic response of the films to CO2 exposure resembles behaviour observed for nonequilibrium organic polymers.

  8. Dynamic response of ultrathin highly dense ZIF-8 nanofilms

    NARCIS (Netherlands)

    Cookney, J.; Ogieglo, Wojciech; Hrabanek, P.; Vankelecom, I.; Fila, V.; Benes, Nieck Edwin

    2014-01-01

    Ultrathin ZIF-8 nanofilms are prepared by facile step-by-step dip coating. A critical withdrawal speed allows for films with a very uniform minimum thickness. The high refractive index of the films denotes the absence of mesopores. The dynamic response of the films to CO2 exposure resembles

  9. Ultra-thin zirconia films on Zr-alloys

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Joong Il Jake; Mayr-Schmoelzer, Wernfried; Mittendorfer, Florian; Redinger, Josef; Diebold, Ulrike; Schmid, Michael [Institute of Applied Physics, Vienna University of Technology (Austria); Li, Hao; Rupprechter, Guenther [Institute of Materials Chemistry, Vienna University of Technology (Austria)

    2014-07-01

    Zirconia ultra-thin films have been prepared by oxidation of Pt{sub 3}Zr(0001) and showed a structure equivalent to (111) of cubic zirconia. Following previous work, we have prepared ultra-thin zirconia by oxidation of a different alloy, Pd{sub 3}Zr(0001), which resulted in a similar structure with a slightly different lattice parameter, 351.2 ±0.4 pm. Unlike the oxide on Pt{sub 3}Zr, where Zr of the oxide binds to Pt in the substrate, here the oxide binds to substrate Zr via oxygen. This causes stronger distortion of the oxide structure, i.e. a stronger buckling of Zr in the oxide. After additional oxidation of ZrO{sub 2}/Pt{sub 3}Zr, a different ultra-thin zirconia phase is observed. A preliminary structure model for this film is based on (113)-oriented cubic zirconia. 3D oxide clusters are also present after growing ultra-thin zirconia films. They occur at the step edges, and the density is higher on Pd{sub 3}Zr. These clusters also appear on terraces after additional oxidation. XPS reveals different core level shifts of the oxide films, bulk, and oxide clusters.

  10. Dynamic response of ultrathin highly dense ZIF-8 nanofilms

    Czech Academy of Sciences Publication Activity Database

    Cookney, J.; Ogieglo, W.; Hrabánek, Pavel; Vankelecom, I.; Fíla, V.; Benes, N. E.

    2014-01-01

    Roč. 50, AUG 2014 (2014), s. 11698-11700 ISSN 1359-7345 Institutional support: RVO:61388955 Keywords : ultrathin FIF-8 nanofilms * metal-organic frameworks * zeolitic imidazolate frameworks Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.834, year: 2014

  11. Ultra-Thin Coatings Beautify Art

    Science.gov (United States)

    2013-01-01

    The craftsmen in the Roman Empire who constructed the Lycurgus Cup 17 centuries ago probably didn't think their artifact would survive for nearly 2,000 years as a prized possession. And they certainly couldn't have known that the technology they used to make it would eventually become an important part of space exploration. Carved from one solid mass, the cup is one of the few complete glass objects from that period, and the only one made from dichroic glass. Meaning "two-colored" in Greek, dichroic glass was originally created by adding trace amounts of gold and silver to a large volume of glass melt. The resulting medium partially reflects the light passing through it, causing an observer to see different colors depending on the direction of the light source. The Lycurgus Cup, for example, is famous for appearing green in daylight and red when lit at night, symbolic of the ripening grapes used to fill it with wine. NASA revitalized the production of dichroic glass in the 1950s and 1960s as a means of protecting its astronauts. Ordinary clear substances cannot protect human vision from the harsh rays of unfiltered sunlight, and everything from the human body to spacecraft sensors and computers are at risk if left unprotected from the radiation that permeates space. The microscopic amounts of metal present in dichroic glass make it an effective barrier against such harmful radiation. While the ancient manufacturing technique called for adding metals to glass melt, NASA developed a process in which metals are vaporized by electron beams in a vacuum chamber and then applied directly to surfaces in an ultra-thin film. The vapor condenses in the form of crystal structures, and the process is repeated for up to several dozen coatings. The resulting material, still only about 30 millionths of an inch thick, is sufficient to reflect radiation even while the glass, or polycarbonate, as in the case of space suit helmets, remains transparent to the human eye.

  12. Direct peroral cholangioscopy using an ultrathin endoscope: making technique easier

    Directory of Open Access Journals (Sweden)

    Javier Sola-Vera

    2014-01-01

    Full Text Available Background: Cholangioscopy is a useful tool for the study and treatment of biliary pathology. Ultrathin upper endoscopes allow direct peroral cholangioscopy (DPC but have some drawbacks. Objective: The aim of the study was to evaluate the success rate of DPC with an ultrathin endoscope using a balloon catheter to reach the biliary confluence. Material and methods: Prospective observational study. An ultrathin endoscope (Olympus XP180N, outer diameter 5.5 mm, working channel 2 mm was used. To access the biliary tree, free-hand technique was used. To reach the biliary confluence an intraductal balloon catheter (Olympus B5-2Q diameter 1.9 mm and a 0.025 inch guide wire was used. In all cases sphincterotomy and/or sphincteroplasty was performed. The success rate was defined as the percentage of cases in which the biliary confluence could be reached with the ultrathin endoscope. Results: Fifteen patients (8 men/7 women were included. Mean age was 77.7 ± 10.8 years (range 45-91. The indications for cholangioscopy were suspected bile duct stones (n = 9, electrohydraulic lithotripsy for the treatment of difficult choledocholithiasis (n = 5 and evaluation of biliary stricture (n = 1. Access to the bile duct was achieved in 14/15 cases (93.3 %. Biliary confluence was reached in 13/15 cases (86.7 %. One complication was observed in one patient (oxigen desaturation. Conclusions: DPC with an ultrathin endoscope can be done with the free-hand technique. Intraductal balloon-guided DPC allows full examination of the common bile duct in most cases.

  13. Sb interactions with TaC precipitates and Cu in ion-implanted α-Fe

    International Nuclear Information System (INIS)

    Follstaedt, D.M.; Myers, S.M.

    1980-01-01

    The interactions of Sb with the other species implanted into Fe to form Fe-Ta-C-Sb and Fe-Cu-Sb alloys have been examined with transmission electron microscopy and Rutherford backscattering following annealing at 873 0 K. Trapping of Sb at TaC precipitates is observed in the former alloy just as was previously observed in Fe-Ti-C-Sb. In Fe-Cu-Sb, Sb interactions are governed by the atomic ratio of Sb to Cu. For ratios between 0.2 to 0.4, the compound β-Cu 3 Sb was observed to form. For Sb to Cu ratios approx.< 0.1, fcc Cu precipitates were observed. In addition to the expected Sb dissolution in Cu, Sb trapping by Cu precipitates is also observed. The binding enthalpy of Sb at both TaC and Cu precipitates with respect to a solution site in the bcc Fe is the same as observed for TiC, approx. 0.4 eV. The constancy of the binding enthalpy at such chemically dissimilar precipitates supports the hypothesis that the trapping is due to the structural discontinuity of the precipitate-host interface. The observed Sb trapping at precipitates is of potential significance for the control of temper embrittlement in bcc steels

  14. Crystalline structure and XMCD studies of Co40Fe40B20 grown on Bi2Te3, BiTeI and Bi2Se3

    OpenAIRE

    Kaveev, A. K.; Sokolov, N. S.; Suturin, S. M.; Zhiltsov, N. S.; Golyashov, V. A.; Tereshchenko, O. E.; Prosvirin, I. P.; Kokh, K. A.; Sawada, M.

    2018-01-01

    Epitaxial films of Co40Fe40B20 (further - CoFeB) were grown on Bi2Te3(001) and Bi2Se3(001) substrates by laser molecular beam epitaxy (LMBE) technique at 200-400C. Bcc-type crystalline structure of CoFeB with (111) plane parallel to (001) plane of Bi2Te3 was observed, in contrast to polycrystalline CoFeB film formed on Bi2Se3(001) at RT using high-temperature seeding layer. Therefore, structurally ordered ferromagnetic thin films were obtained on the topological insulator surface for the firs...

  15. Low temperature study of mechanically alloyed Fe{sub 67.5}Ni{sub 32.5} Invar sample

    Energy Technology Data Exchange (ETDEWEB)

    Valenzuela, J.L. [Departamento de Física, Universidad del Valle, A. A. 25360, Cali (Colombia); Valderruten, J.F. [Departamento de Ingeniería, Universidad Cooperativa de Colombia, Bucaramanga (Colombia); Pérez Alcázar, G.A., E-mail: gpgeperez@gmail.com [Departamento de Física, Universidad del Valle, A. A. 25360, Cali (Colombia); Colorado, H.D. [Departamento de Física, Universidad del Valle, A. A. 25360, Cali (Colombia); Romero, J.J. [Instituto de Microelectrónica de Madrid, CNM, CSIC, C/Isaac Newton 8, Tres Cantos, 28760 Madrid (Spain); González, J.M. [Unidad Asociada ICMM-IMA, Apdo. 155, Las Rozas, 28230 Madrid (Spain); Greneche, J.M. [LUNAM, Université du Maine, Institut des Molécules et Matériaux du Mans, UMR CNRS 6283, 72085 Le Mans, Cedex 9 (France); Marco, J.F. [Instituto de Química-Física ' ' Rocasolano' ' , CSIC, C/Serrano 119, 28006 Madrid (Spain)

    2015-07-01

    The study at low temperatures of powder of the Invar alloy, Fe{sub 67.5}Ni{sub 32.5}, produced by mechanical alloying, shows that the sample presents two structural phases, the Fe–Ni BCC and the Fe–Ni FCC. The {sup 57}Fe Mössbauer spectra obtained in this sample at different temperatures were fitted considering two hyperfine magnetic field distributions. The first one having the larger mean field and only one peak (at ca. 35 T, varying with T), is associated with the BCC phase, and the second one, presenting several broad peaks (distributed between 10 and 35 T), is associated to the FCC phase. A singlet, which is associated to low spin Fe sites of the FCC phase, was also considered. The mean hyperfine magnetic field of the BCC phase increases monotonically as temperature decreases, while that of the FCC phase presents an anomaly near 75 K. The real part of the ac magnetic susceptibility temperature scans presents a peak whose position increases from 31 to 39 K, when the ac field frequency increases from 100 to 5000 Hz. These results permit to associate the detected anomaly to the occurrence of a reentrant spin glass transition. - Highlights: • XRD detect the BCC and FCC nanocrystalline phases in the Invar Fe{sub 67.5}Si{sub 32.5}. • Mössbauer spectra were fitted with two HMFDs and a singlet. • The MHMF and the isomer shift of the FCC structure present a kink near 61 K. • Magnetic susceptibility proved that this anomaly corresponds to a RSG- F transition. • The Invar composition of the MA Fe{sub 67.5}Si{sub 32.5} alloy presents the frustration phenomena.

  16. Ferroelectricity down to at least 2 nm in multiferroic BiFeO3 epitaxial thin films

    International Nuclear Information System (INIS)

    Bea, H.; Fusil, S.; Bouzehouane, K.; Sirena, M.; Herranz, G.; Jacquet, E.; Contour, J.-P.; Barthelemy, A.; Bibes, M.

    2006-01-01

    We report here on the preservation of ferroelectricity down to 2 nm in BiFeO 3 ultrathin films. The electric polarization can be switched reversibly and is stable over several days. Our findings insight on the fundamental problem of ferroelectricity at low thickness and confirm the potential of BiFeO 3 as a lead-free ferroelectric and multiferroic material for nanoscale devices. (author)

  17. Ferromagnetic resonance study of sputtered NiFe/V/NiFe heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Alayo, W., E-mail: willian.rodriguez@ufpel.edu.br [Departamento de Física – IFM, Universidade Federal de Pelotas, 96010-900 Rio Grande do Sul (Brazil); Pelegrini, F. [Instituto de Física, Universidade Federal de Goiás, Goiânia, 74001-970 (Brazil); Baggio-Saitovitch, E. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro, RJ, 22290-180 (Brazil)

    2015-03-01

    The Ni{sub 81}Fe{sub 19}/V/Ni{sub 81}Fe{sub 19} heterostructures has been produced by magnetron sputtering and analyzed by ferromagnetic resonance. Two systems were investigated: the non symmetrical NiFe(50 Å)/V(t)/NiFe(30 Å) trilayers and the symmetrical NiFe(80 Å)/V(t)/NiFe(80 Å) trilayers, with variable ultrathin V thickness t. Ferromagnetic exchange coupling was evidenced for t below 10 Å by the excitation of the optic mode, in the case of the non symmetrical samples, and by the observation of a single resonance mode for the symmetrical trilayers. For larger V thickness, all samples exhibited two modes, which were attributed to the resonance of the individual NiFe layers with different effective magnetizations. The analysis with the equilibrium and resonance conditions provided the exchange coupling constants and effective magnetizations. - Highlights: • We present a study of symmetrical and non symmetrical NiFe/V/NiFe trilayers deposited on Si single crystals by ferromagnetic resonance (FMR) at room temperature. • For the non symmetrical trilayers, the FMR spectra show the optic and acoustic modes for samples with very thin V layer thicknesses, evidencing ferromagnetic exchange coupling, whereas, for larger V thickness, the spectra exhibited two well resolved modes associated to each independent NiFe layer. For the symmetrical trilayers, strong ferromagnetic exchange coupling is evidenced by the observation of a single resonance mode. • The analysis with the equilibrium condition and dispersion relation provides the exchange coupling constants and effective magnetizations.

  18. Realizing high magnetic moments in fcc Fe nanoparticles through atomic structure stretch

    International Nuclear Information System (INIS)

    Baker, S H; Roy, M; Thornton, S C; Binns, C

    2012-01-01

    We describe the realization of a high moment state in fcc Fe nanoparticles through a controlled change in their atomic structure. Embedding Fe nanoparticles in a Cu 1-x Au x matrix causes their atomic structure to switch from bcc to fcc. Extended x-ray absorption fine structure (EXAFS) measurements show that the structure in both the matrix and the Fe nanoparticles expands as the amount of Au in the matrix is increased, with the data indicating a tetragonal stretch in the Fe nanoparticles. The samples were prepared directly from the gas phase by co-deposition, using a gas aggregation source and MBE-type sources respectively for the nanoparticle and matrix materials. The structure change in the Fe nanoparticles is accompanied by a sharp increase in atomic magnetic moment, ultimately to values of ∼2.5 ± 0.3 μ B /atom. (paper)

  19. FeCoNi coated glass fibers in composite sheets for electromagnetic absorption and shielding behaviors

    Science.gov (United States)

    Lee, Joonsik; Jung, Byung Mun; Lee, Sang Bok; Lee, Sang Kwan; Kim, Ki Hyeon

    2017-09-01

    To evaluate the electromagnetic (EM) absorption and shield of magnetic composite sheet, we prepared the FeCoNi coated glass fibers filled in composite sheet. The FeCoNi was coated by electroless plating on glass fiber as a filler. The coated FeCoNi found that consist of mixtures of bcc and fcc phase. The magnetization and coercivity of coated FeCoNi are about 110 emu/g and 57 Oe, respectively. The permittivity and permeability of the FeCoNi composite sheet were about 21 and 1, respectively. Power absorption increased 95% with the increment of frequency up to 10 GHz. Inter-decoupling of this composite sheet showed maximum 30 dB at around 5.3 GHz, which is comparable to that of a conductive Cu foil. Shielding effectiveness (SE) was measured by using rectangular waveguide method. SE of composite obtained about 37 dB at X-band frequency region.

  20. Ultrathin Nitrogen-Doped Carbon Layer Uniformly Supported on Graphene Frameworks as Ultrahigh-Capacity Anode for Lithium-Ion Full Battery.

    Science.gov (United States)

    Huang, Yanshan; Li, Ke; Yang, Guanhui; Aboud, Mohamed F Aly; Shakir, Imran; Xu, Yuxi

    2018-03-01

    The designable structure with 3D structure, ultrathin 2D nanosheets, and heteroatom doping are considered as highly promising routes to improve the electrochemical performance of carbon materials as anodes for lithium-ion batteries. However, it remains a significant challenge to efficiently integrate 3D interconnected porous frameworks with 2D tunable heteroatom-doped ultrathin carbon layers to further boost the performance. Herein, a novel nanostructure consisting of a uniform ultrathin N-doped carbon layer in situ coated on a 3D graphene framework (NC@GF) through solvothermal self-assembly/polymerization and pyrolysis is reported. The NC@GF with the nanosheets thickness of 4.0 nm and N content of 4.13 at% exhibits an ultrahigh reversible capacity of 2018 mA h g -1 at 0.5 A g -1 and an ultrafast charge-discharge feature with a remarkable capacity of 340 mA h g -1 at an ultrahigh current density of 40 A g -1 and a superlong cycle life with a capacity retention of 93% after 10 000 cycles at 40 A g -1 . More importantly, when coupled with LiFePO 4 cathode, the fabricated lithium-ion full cells also exhibit high capacity and excellent rate and cycling performances, highlighting the practicability of this NC@GF. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. First-principles calculation for the effect of hydrogen atoms on the mobility of a screw dislocation in BCC iron

    International Nuclear Information System (INIS)

    Itakura, Mitsuhiro; Kaburaki, Hideo; Yamaguchi, Masatake; Endo, Tatsuro; Higuchi, Kenji; Ogata, Shigenobu; Kimizuka, Hajime

    2012-01-01

    Effect of hydrogen atoms on the mobility of a screw dislocation in BCC iron has been evaluated using the first-principles calculation. The stable position of a hydrogen atom is found to be near the screw dislocation core and inside the core respectively when the dislocation is at the easy-core or hard-core configuration in BCC iron. The intrinsically unstable hard-core configuration of the screw dislocation is stabilized when a hydrogen atom is trapped inside the core. On the basis of this first-principles result, an elastic string model of a dislocation is developed to predict the kink motion in the presence of a hydrogen atom. It is found that a double-kink formation is facilitated when a hydrogen atom is located near a dislocation line, however, a kink motion is retarded when a hydrogen atom is behind the kink. (author)

  2. Investigation of the structural and hydrogenation properties of disordered Ti-V-Cr-Mo BCC solid solutions

    International Nuclear Information System (INIS)

    Raufast, C.; Planté, D.; Miraglia, S.

    2014-01-01

    Highlights: • Materials synthesis and structural analysis of selected compositions of TiVCr(Mo) bcc samples. • Extraction of the thermodynamics relevant parameters for hydride formation and dissociation state of Ti 0.3 V 1.7 Cr 0.7 Mo 0.3 sample. • Discussion of the hydrides practicability. - Abstract: Selected compositions in the Ti-Cr-V-Mo system (with the BCC structure-type) have been synthesized and characterized for structural (crystalline structure, solidification microstructure) and thermodynamic properties (equilibrium and reversible hydrogen storage capacity). We present as well the effect of co-melting with a so-called activating phase that results in a secondary phase development and a subsequent enhancement of the hydrogen sorption kinetics. Ageing properties and applicability of such materials for hybrid hydrogen storage systems are also discussed

  3. Impact of Intragranular Substructure Parameters on the Forming Limit Diagrams of Single-Phase B.C.C. Steels

    Directory of Open Access Journals (Sweden)

    Gérald Franz

    2013-11-01

    Full Text Available An advanced elastic-plastic self-consistent polycrystalline model, accounting for intragranular microstructure development and evolution, is coupled with a bifurcation-based localization criterion and applied to the numerical investigation of the impact of microstructural patterns on ductility of single-phase steels. The proposed multiscale model, taking into account essential microstructural aspects, such as initial and induced textures, dislocation densities, and softening mechanisms, allows us to emphasize the relationship between intragranular microstructure of B.C.C. steels and their ductility. A qualitative study in terms of forming limit diagrams for various dislocation networks, during monotonic loading tests, is conducted in order to analyze the impact of intragranular substructure parameters on the formability of single-phase B.C.C. steels.

  4. A systematic study on the interfacial energy of O-line interfaces in fcc/bcc systems

    International Nuclear Information System (INIS)

    Dai, Fuzhi; Zhang, Wenzheng

    2013-01-01

    Habit planes between face-centered cubic (fcc)/body-centered cubic (bcc) phases usually exhibit irrational orientations, which often agree with the O-line criterion. Previously, energy calculation was made to test whether the habit planes were energetically favorable, but the values of the energy were found very sensitive to the initial atomic configuration in an irrationally orientated interface. In this paper, under the O-line condition, simple selection criteria are proposed to define and remove interfacial interstitials and vacancies in the initial atomic configuration. The criteria are proved to be effective in obtaining robust energy results. Interfacial energies of two types of O-line interfaces in fcc/bcc systems are calculated following the criteria. The observed transformation crystallography of precipitates in Ni–Cr and Cu–Cr systems can be explained consistently as the irrational habit plane in each system is associated with the lowest energy O-line interface. (paper)

  5. Strength anomaly in B2 FeAl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

    1994-12-31

    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  6. Magnetic ordering of four particle exchange model in BCC 3He

    International Nuclear Information System (INIS)

    Ishikawa, Koji; Okada, Isamu

    1978-01-01

    The low temperature magnetic ordering of BCC 3 He within the mean field approximation was studied. A model including four particle exchange interactions was considered. Two types of cyclic quadrupole exchange process, planar and folded, were taken into account. Assuming four sublattices, it was considered to minimize the spin energy with respect to the classical spin vector and to find out four ordered states at the absolute zero point. They are antiferromagnetic (AF), weak ferromagnetic (WF) and two kinds of simple cubic antiferromagnetic states (SCAF). The condition for the existence of each ordered state is given, and the free energies of the ordered states are calculated in the mean field approximation. The transition between AF or SCAF and the paramagnetic states is of the first order. The phase diagram is drawn in the parameter space. The phase diagram was obtained numerically at Hetherington and Willard's value and at its neighbouring values. The difference between the present result and HW's is that of magnetic field direction in the perpendicular simple cubic antiferromagnetic states. The second order transition disappears, and the WF state changes gradually into AF state. With respect to the first order transition, the transition temperature increases with magnetic field. In this case, a critical magnetic field exists. (Kato, T

  7. Flow stress asymmetry and cyclic stress--strain response in a BCC Ti--V alloy

    International Nuclear Information System (INIS)

    Koss, D.A.; Wojcik, C.C.

    1976-01-01

    The cyclic stress-strain response of relatively stable bcc β-phase Ti--40 percent V alloy single crystals was studied. Flow stress asymmetry found in the alloy is attributed to the fact that screw dislocations, when gliding on a (211) plane, are more mobile in the twinning direction than in the antitwinning direction. Thus the flow stress of the crystal is greater when it is sheared in the antitwinning direction than in the twinning direction (the latter case results when crystals of the 100 orientation are stressed in tension and those of the 110 orientation are stressed in compression). Such behavior can be a result of the core of a screw dislocation being asymmetric under stress which causes the flow stress asymmetry observed. It should be noted that screw dislocations dominate the low temperature deformation structure of Ti-40V, which strongly suggests deformation is controlled by screw dislocation motion. The observation in Mo that the microyield stress is independent of crystal orientation could be a result of edge dislocation motion controlling microyield in that instance and this observation would not be inconsistent with screw dislocation motion controlling the macroscopic (epsilon/sub p/ greater than 0.05 percent) deformation measured here

  8. Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron

    Science.gov (United States)

    Fikar, Jan; Gröger, Roman; Schäublin, Robin

    2017-12-01

    The prismatic loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, shape, size, orientation and depth of the loop in the foil, they can escape to the free surface creating denuded loop-free zones and thus invalidating TEM observations. In our previous studies we described a simple general method to determine the critical depth and the critical stress to move prismatic dislocation loops. The critical depths can be further used to correct measurements of the loop density by TEM. Here, we use this procedure to compare 〈100〉 loops and 1/2 〈111〉 loops in body-centered cubic (BCC) iron. The influences of the interatomic potential and the loop orientation are studied in detail. The difference between interstitial and vacancy type loop is also investigated.

  9. Dose dependence of true stress parameters in irradiated bcc, fcc, and hcp metals

    Science.gov (United States)

    Byun, T. S.

    2007-04-01

    The dose dependence of true stress parameters has been investigated for nuclear structural materials: A533B pressure vessel steels, modified 9Cr-1Mo and 9Cr-2WVTa ferritic martensitic steels, 316 and 316LN stainless steels, and Zircaloy-4. After irradiation to significant doses, these alloys show radiation-induced strengthening and often experience prompt necking at yield followed by large necking deformation. In the present work, the critical true stresses for deformation and fracture events, such as yield stress (YS), plastic instability stress (PIS), and true fracture stress (FS), were obtained from uniaxial tensile tests or calculated using a linear strain-hardening model for necking deformation. At low dose levels where no significant embrittlement was detected, the true fracture stress was nearly independent of dose. The plastic instability stress was also independent of dose before the critical dose-to-prompt-necking at yield was reached. A few bcc alloys such as ferritic martensitic steels experienced significant embrittlement at doses above ∼1 dpa; and the true fracture stress decreased with dose. The materials fractured before yield at or above 10 dpa.

  10. Amylase Production from Thermophilic Bacillus sp. BCC 021-50 Isolated from a Marine Environment

    Directory of Open Access Journals (Sweden)

    Altaf Ahmed Simair

    2017-06-01

    Full Text Available The high cost of fermentation media is one of the technical barriers in amylase production from microbial sources. Amylase is used in several industrial processes or industries, for example, in the food industry, the saccharification of starchy materials, and in the detergent and textile industry. In this study, marine microorganisms were isolated to identify unique amylase-producing microbes in starch agar medium. More than 50 bacterial strains with positive amylase activity, isolated from marine water and soil, were screened for amylase production in starch agar medium. Bacillus sp. BCC 021-50 was found to be the best amylase-producing strain in starch agar medium and under submerged fermentation conditions. Next, fermentation conditions were optimized for bacterial growth and enzyme production. The highest amylase concentration of 5211 U/mL was obtained after 36 h of incubation at 50 °C, pH 8.0, using 20 g/L molasses as an energy source and 10 g/L peptone as a nitrogen source. From an application perspective, crude amylase was characterized in terms of temperature and pH. Maximum amylase activity was noted at 70 °C and pH 7.50. However, our results show clear advantages for enzyme stability in alkaline pH, high-temperature, and stability in the presence of surfactant, oxidizing, and bleaching agents. This research contributes towards the development of an economical amylase production process using agro-industrial residues.

  11. Strain Fields And Crystallographic Characteristics Of Interstitial Dislocation Loops of Various Geometry In BCC Iron

    International Nuclear Information System (INIS)

    Sivak, Alexander B.; Chernov, Viatcheslav M.; Romanov, Vladimir A.

    2008-01-01

    The formation energy, the relaxation volume, the dipole-force tensor, the self strain tensor and strain fields of interstitial dislocation loops in bcc iron (clusters of self interstitial atoms) have been calculated by molecular statics. Hexagonal and square dislocation loops of different types with different Burgers vectors, directions of dislocation segments and habit planes containing up to ∼2500 self-interstitials have been considered. Analytical expressions describing size dependence of the formation energy, the relaxation volume and the self strain tensor for the loops stated have been obtained. The most energetically favorable loops are hexagonal loops with Burgers vector a/2 and habit plane {11x}, where x takes values in the range from 0 to 1 depending on the loop size. The formation energy of a loops with and dislocation segments is ∼14% and 23% greater than that of hexagonal a/2 loops at N>500, respectively. The analysis of the formation energies of a/2 and a loops demonstrated that the nucleation of an a loop by joining of two a/2 loops is possible when the total number of constituent self-interstitials in these loops is larger than 13

  12. Investigation of point defects diffusion in bcc uranium and U–Mo alloys

    International Nuclear Information System (INIS)

    Smirnova, D.E.; Kuksin, A.Yu.; Starikov, S.V.

    2015-01-01

    We present results of investigation of point defects formation and diffusion in pure γ-U and γ-U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the different interatomic potentials. The point defects formation and migration energies were estimated for bcc γ-U and U–9 wt.%Mo alloy. The calculated diffusivities of atoms via defects are provided for pure γ-U and for the alloy components. Analysis of simulation results shows that self-interstitial atoms play a leading role in the self-diffusion processes in the materials studied. This fact can explain a remarkably high self-diffusion mobility observed experimentally for γ-U. The self-diffusion coefficients in γ-U calculated in this assumption agree with the data measured experimentally. It is shown that alloying of γ-U with Mo increase formation energy for self-interstitial atoms and decelerate their mobility. These changes lead to decrease of self-diffusion coefficients in U–Mo alloy compared to pure U

  13. Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

    Science.gov (United States)

    Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

    2011-03-01

    Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

  14. On the Secrecy Capacity Region of the Block-Fading BCC with Limited CSI Feedback

    KAUST Repository

    Hyadi, Amal

    2017-02-07

    In this work, we examine the secrecy capacity region of the block-fading broadcast channel with confidential messages (BCC) when the transmitter has limited knowledge of the channel. In particular, we consider a two-user communication system where the transmitter has one common message to be transmitted to both users and one confidential message intended to only one of them. The confidential message has to be kept secret from the other user to whom the information is not intended. The transmitter is not aware of the channel state information (CSI) of neither channel and is only provided by limited CSI feedback sent at the beginning of each fading block. Assuming an error-free feedback link, we characterize the secrecy capacity region of this channel and show that even with a 1-bit CSI feedback, a positive secrecy rate can still be achieved. Then, we look at the case where the feedback link is not error- free and is rather a binary erasure channel (BEC). In the latter case, we provide an achievable secrecy rate region and show that as long as the erasure event is not a probability 1 event, the transmitter can still transmit the confidential information with a positive secrecy rate.

  15. Magnetically induced crystal structure and phase stability in Fe1-cCoc

    DEFF Research Database (Denmark)

    Abrikosov, I.A.; James, P.; Eriksson, O.

    1996-01-01

    We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good agreement with the experimental phase...... diagram. We demonstrate that for the Pe-rich random alloys magnetism-stabilizes the bce phase relative to the close-packed fee and hcp phases. Magnetism also favors the partially ordered alpha' phase relative to the random bce alloy. This unique relation between magnetism and phase stability for the Fe...

  16. Spheroidization behavior of dendritic b.c.c. phase in Zr-based モ-phase composite

    Directory of Open Access Journals (Sweden)

    Sun Guoyuan

    2013-03-01

    Full Text Available The spheroidization behavior of the dendritic b.c.c. phase dispersed in a bulk metallic glass (BMG matrix was investigated through applying semi-solid isothermal processing and a subsequent rapid quenching procedure to a Zr-based モ-phase composite. The Zr-based composite with the composition of Zr56.2Ti13.8Nb5.0Cu6.9Ni5.6Be12.5 was prefabricated by a water-cooled copper mold-casting method and characterized by X-ray diffraction (XRD and scanning electron microscope (SEM. The results show that the composite consists of a glassy matrix and uniformly distributed fine dendrites of the モ-Zr solid solution with the body-centered-cubic (b.c.c. structure. Based on the differential scanning calorimeter (DSC examination results, and in view of the b.c.c. モ-Zr to h.c.p. メ-Zr phase transition temperature, a semi-solid holding temperature of 900 ìC was determined. After reheating the prefabricated composite to the semi-solid temperature, followed by an isothermal holding process at this temperature for 5 min, and then quenching the semi-solid mixture into iced-water; the two-phase microstructure composed of a BMG matrix and uniformly dispersed spherical b.c.c. モ-Zr particles with a high degree of sphericity was achieved. The present spheroidization transition is a thermodynamically autonomic behavior, and essentially a diffusion process controlled by kinetic factors; and the formation of the BMG matrix should be attributed to the rapid quenching of the semi-solid mixture as well as the large glass-forming ability of the remaining melt in the semi-solid mixture.

  17. Pre-melting hcp to bcc Transition in Beryllium: A Study by First-Principles Phonon Quasiparticle Approach

    Science.gov (United States)

    Zhang, D. B., Sr.

    2017-12-01

    Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

  18. Growth of a brittle crack (001) in 3D bcc iron crystal with a Cu nano-particle

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Machová, Anna; Hora, Petr; Červená, Olga

    2014-01-01

    Roč. 83, February (2014), s. 229-234 ISSN 0927-0256 R&D Projects: GA ČR GA101/09/1630 Institutional support: RVO:61388998 Keywords : brittle crack extension * 3D * mode I * bcc iron * Cu nano-particle * molecular dynamics * acoustic emission Subject RIV: JG - Metallurgy Impact factor: 2.131, year: 2014 http://www.sciencedirect.com/science/article/pii/S0927025613006575

  19. 3D atomistic simulation of fatigue behavior of a ductile crack in bcc iron loaded in mode II

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Pokluda, J.; Machová, Anna; Hora, Petr

    2012-01-01

    Roč. 61, AUG 2012 (2012), s. 12-19 ISSN 0927-0256 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : fatigue * mode II * bcc iron * molecular dynamic simulations Subject RIV: JG - Metallurgy Impact factor: 1.878, year: 2012 http://www.sciencedirect.com/science/article/pii/S0927025612001929

  20. Crystal plasticity model for BCC iron atomistically informed by kinetics of correlated kinkpair nucleation on screw dislocation

    Science.gov (United States)

    Narayanan, Sankar; McDowell, David L.; Zhu, Ting

    2014-04-01

    The mobility of dislocation in body-centered cubic (BCC) metals is controlled by the thermally activated nucleation of kinks along the dislocation core. By employing a recent interatomic potential and the Nudged Elastic Band method, we predict the atomistic saddle-point state of 1/2 screw dislocation motion in BCC iron that involves the nucleation of correlated kinkpairs and the resulting double superkinks. This unique process leads to a single-humped minimum energy path that governs the one-step activation of a screw dislocation to move into the adjacent {110} Peierls valley, which contrasts with the double-humped energy path and the two-step transition predicted by other interatomic potentials. Based on transition state theory, we use the atomistically computed, stress-dependent kinkpair activation parameters to inform a coarse-grained crystal plasticity flow rule. Our atomistically-informed crystal plasticity model quantitatively predicts the orientation dependent stress-strain behavior of BCC iron single crystals in a manner that is consistent with experimental results. The predicted temperature and strain-rate dependencies of the yield stress agree with experimental results in the 200-350 K temperature regime, and are rationalized by the small activation volumes associated with the kinkpair-mediated motion of screw dislocations.

  1. First-principles investigation into the effect of Cr on the segregation of multi-H at the Fe Σ3 (1 1 1) grain boundary

    Energy Technology Data Exchange (ETDEWEB)

    He, Bingling; Xiao, Wei; Hao, Wei [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Tian, Zhixue, E-mail: tian@cp.prec.eng.osaka-u.ac.jp [Division of Precision Science and Technology and Applied Physics, Graduate School of Engineering, Osaka University, 2-1, Yamada-oka, Suita, Osaka 565-0871 (Japan)

    2013-10-15

    First-principles calculations were carried out to investigate the effect of Cr on segregation of multiple H atoms in the Σ3 (1 1 1) grain boundary in bcc Fe. In the absence of Cr, four H atoms can be trapped at the interstitial site of the Fe grain boundary (areal density: 28 nm{sup −2}), and no H{sub 2} molecules are formed. The presence of Cr, however, suppresses the segregation tendency of H and only two H atoms can be trapped at this grain boundary. Although the volume expansion associated with the segregation of Cr to the grain boundary promotes H segregation, such a booting effect is unable to remedy the repulsion of H resulted from charge density increase in the grain boundary core. As a consequence, Cr mitigates H aggregation at the Σ3 (1 1 1) grain boundary in bcc Fe.

  2. Alloying behavior, microstructure and mechanical properties in a FeNiCrCo0.3Al0.7 high entropy alloy

    International Nuclear Information System (INIS)

    Chen, Weiping; Fu, Zhiqiang; Fang, Sicong; Xiao, Huaqiang; Zhu, Dezhi

    2013-01-01

    Highlights: • FeNiCrCo 0.3 Al 0.7 high entropy alloy is prepared via MA and SPS. • Two BCC phases and one FCC phase were obtained after SPS. • The two BCC phases are enriched in Fe–Cr (A2 structure) and enriched in Ni–Al (B2 structure). • Bulk FeNiCrCo 0.3 Al 0.7 HEA exhibits excellent mechanical properties. - Abstract: The present paper reports the synthesis of FeNiCrCo 0.3 Al 0.7 high entropy alloy (HEA) by mechanical alloying (MA) and spark plasma sintering (SPS) process. Alloying behavior, microstructure, mechanical properties and detailed phases of the alloy were investigated systematically. During MA, the formation of a supersaturated solid solution with body-centered cubic (BCC) structure occurred. However, partial BCC structure phase transformed into a face-center cubic (FCC) structure phase during SPS. Two BCC phases with nearly the same lattice parameter of 3.01 Å and one FCC phase with the lattice parameter of 3.72 Å were characterized in the transmission electron microscope (TEM) images. The two BCC phases which are evidently deviated from the definition of high entropy alloys (HEAs) are enriched in Fe–Cr and enriched in Ni–Al, respectively. Moreover, the FCC phase agrees well with the definition of HEAs. Bulk FeNiCrCo 0.3 Al 0.7 alloy with little porosity exhibits much better mechanical properties except compression ratio compared with other typical HEAs of FeNiCrCoAl HEA system. The yield strength, compressive strength, compression ratio and Vickers hardness of FeNiCrCo 0.3 Al 0.7 alloy are 2033 ± 41 MPa, 2635 ± 55 MPa, 8.12 ± 0.51% and 624 ± 26H v , respectively. The fracture mechanism of bulk FeNiCrCo 0.3 Al 0.7 alloy is dominated by intercrystalline fracture and quasi-cleavage fracture

  3. Magnetic Properties of Nanocrystalline Fe{sub x}Cu{sub 1-x} Alloys Prepared by Ball Milling

    Energy Technology Data Exchange (ETDEWEB)

    Yousif, A.; Bouziane, K., E-mail: bouzi@squ.edu.om; Elzain, M. E. [Sultan Qaboos University, Physics Department, College of Science (Oman); Ren, X.; Berry, F. J. [The Open University, Department of Chemistry (United Kingdom); Widatallah, H. M. [Sudan Atomic Energy Commission, Institute of Nuclear Research (Sudan); Al Rawas, A.; Gismelseed, A.; Al-Omari, I. A. [Sultan Qaboos University, Physics Department, College of Science (Oman)

    2004-12-15

    X-ray diffraction, Moessbauer and magnetization measurements were used to study Fe{sub x}Cu{sub 1-x} alloys prepared by ball-milling. The X-ray data show the formation of a nanocrystalline Fe-Cu solid solution. The samples with x{>=}0.8 and x{<=}0.5 exhibit bcc or fcc phase, respectively. Both the bcc and fcc phases are principally ferromagnetic for x{>=}0.2, but the sample with x=0.1 remains paramagnetic down to 78 K. The influence of the local environment on the hyperfine parameters and the local magnetic moment are discussed using calculations based on the discrete-variational method in the local density approximation.

  4. Influence of atomic ordering on sigma phase precipitation of the Fe{sub 50}Cr{sub 50} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Vélez, G.Y., E-mail: g.y.velezcastillo@gmail.com [Universidad del Valle, Departamento de Física, A.A. 25360 Cali (Colombia); Instituto de Física, Universidad Autónoma de San Luis Potosí, avenida Manuel Nava 6, zona universitaria, 78290 San Luis Potosí, SLP México (Mexico); Pérez Alcázar, G.A. [Universidad del Valle, Departamento de Física, A.A. 25360 Cali (Colombia)

    2015-09-25

    Highlights: • σ-FeCr phase can be delayed when α-FeCr phase is ordered. • The formation of σ phase is favored by concentration gradients of α phase. • We determine the iron occupation number of the five sites of σ-Fe{sub 50}Cr{sub 50}. - Abstract: In this work we report a study of the kinetic of the formation of the σ-Fe{sub 50}Cr{sub 50} alloy which is obtained by heat treatment of α-FeCr samples with different atomic ordering. Two α-FeCr alloys were obtained, one by mechanical alloying and the other by arc-melting. Both alloys were heated at 925 K for 170 h and then quenched into ice water. Before heat treatment both alloys exhibit α-FeCr disordered structure with greater ferromagnetic behavior in the alloy obtained by mechanical alloying due to its higher atomic disorder. The sigma phase precipitation is influenced by the atomic ordering of the bcc samples: in the alloy obtained by mechanical alloying, the bcc phase is completely transformed into the σ phase; in the alloy obtained by melted the α–σ transformation is partial.

  5. Room-temperature ferromagnetic transitions and the temperature dependence of magnetic behaviors in FeCoNiCr-based high-entropy alloys

    Science.gov (United States)

    Na, Suok-Min; Yoo, Jin-Hyeong; Lambert, Paul K.; Jones, Nicholas J.

    2018-05-01

    High-entropy alloys (HEAs) containing multiple principle alloying elements exhibit unique properties so they are currently receiving great attention for developing innovative alloy designs. In FeCoNi-based HEAs, magnetic behaviors strongly depend on the addition of alloying elements, usually accompanied by structural changes. In this work, the effect of non-magnetic components on the ferromagnetic transition and magnetic behaviors in equiatomic FeCoNiCrX (X=Al, Ga, Mn and Sn) HEAs was investigated. Alloy ingots of nominal compositions of HEAs were prepared by arc melting and the button ingots were cut into discs for magnetic measurements as functions of magnetic field and temperature. The HEAs of FeCoNiCrMn and FeCoNiCrSn show typical paramagnetic behaviors, composed of solid solution FCC matrix, while the additions of Ga and Al in FeCoNiCr exhibit ferromagnetic behaviors, along with the coexistence of FCC and BCC phases due to spinodal decomposition. The partial phase transition in both HEAs with the additions of Ga and Al would enhance ferromagnetic properties due to the addition of the BCC phase. The saturation magnetization for the base alloy FeCoNiCr is 0.5 emu/g at the applied field of 20 kOe (TC = 104 K). For the HEAs of FeCoNiCrGa and FeCoNiCrAl, the saturation magnetization significantly increased to 38 emu/g (TC = 703 K) and 25 emu/g (TC = 277 K), respectively. To evaluate the possibility of solid solution FCC and BCC phases in FeCoNiCr-type HEAs, we introduced a parameter of valence electron concentration (VEC). The proposed rule for solid solution formation by the VEC was matched with FeCoNiCr-type HEAs.

  6. Refractive-Index Sensing with Ultrathin Plasmonic Nanotubes

    DEFF Research Database (Denmark)

    Raza, Søren; Toscano, Giuseppe; Jauho, Antti-Pekka

    2013-01-01

    We study the refractive-index sensing properties of plasmonic nanotubes with a dielectric core and ultrathin metal shell. The few nanometer thin metal shell is described by both the usual Drude model and the nonlocal hydrodynamic model to investigate the effects of nonlocality. We derive an analy......We study the refractive-index sensing properties of plasmonic nanotubes with a dielectric core and ultrathin metal shell. The few nanometer thin metal shell is described by both the usual Drude model and the nonlocal hydrodynamic model to investigate the effects of nonlocality. We derive...... an analytical expression for the extinction cross section and show how sensing of the refractive index of the surrounding medium and the figure of merit are affected by the shape and size of the nanotubes. Comparison with other localized surface plasmon resonance sensors reveals that the nanotube exhibits...

  7. Electrolyte-Sensing Transistor Decals Enabled by Ultrathin Microbial Nanocellulose

    Science.gov (United States)

    Yuen, Jonathan D.; Walper, Scott A.; Melde, Brian J.; Daniele, Michael A.; Stenger, David A.

    2017-01-01

    We report an ultra-thin electronic decal that can simultaneously collect, transmit and interrogate a bio-fluid. The described technology effectively integrates a thin-film organic electrochemical transistor (sensing component) with an ultrathin microbial nanocellulose wicking membrane (sample handling component). As far as we are aware, OECTs have not been integrated in thin, permeable membrane substrates for epidermal electronics. The design of the biocompatible decal allows for the physical isolation of the electronics from the human body while enabling efficient bio-fluid delivery to the transistor via vertical wicking. High currents and ON-OFF ratios were achieved, with sensitivity as low as 1 mg·L-1.

  8. Surface plasmon—polaritons on ultrathin metal films

    International Nuclear Information System (INIS)

    Quan Jun; Zhang Jun; Shao Le-Xi; Tian Ying

    2011-01-01

    We discuss the surface plasmon—polaritons used for ultrathin metal films with the aid of linear response theory and make comparisons with the known result given by Economou E N. In this paper we consider transverse electromagnetic fields and assume that the electromagnetic field in the linear response formula is the induced field due to the current of the electrons. It satisfies the Maxwell equation and thus we replace the current (charge) term in the Maxwell equation with the linear response expectation value. Finally, taking the external field to be zero, we obtain the dispersion relation of the surface plasmons from the eigenvalue equation. In addition, the charge-density and current-density in the z direction on the surface of ultrathin metal films are also calculated. The results may be helpful to the fundamental understanding of the complex phenomenon of surface plasmon-polaritons. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  9. Studies of magnetic properties of permalloy (Fe-30%Ni) prepared by SLM technology

    International Nuclear Information System (INIS)

    Zhang Baicheng; Fenineche, Nour-Eddine; Zhu Lin; Liao Hanlin; Coddet, Christian

    2012-01-01

    In the present study, a high permeability induction Fe-30%Ni alloy cubic bulk was prepared by the selective laser melting process. In order to reveal the microstructure effect on soft magnetic properties, the microstructure and magnetic properties of the Fe-30%Ni alloy were carefully investigated by scanning electron microscopy, X-ray diffraction and hysteresis measurements. The bcc-Fe (Ni) phase formation is identified by X-ray diffraction. Meanwhile, it was found that low bcc lattice parameter and high grain size could be obtained when high laser scanning velocity and low laser power were used. Moreover, the lowest value of coercivity is 88 A/m, and the highest value of saturation magnetization is 565 Am 2 /kg, which can be obtained at a low laser scanning velocity of 0.4 m/s and high laser power input at 110 W. - Highlights: → Proper Fe-30%Ni alloy (permalloy) using selective laser melting technology. → Microstructure of Fe-30%Ni alloy exhibits fine cellular structure of approximately 100 nm. → Magnetic properties can be controlled by laser parameter. → Lowest coercivity is 88 A/m and highest saturation magnetization is 565 Am 2 /kg.

  10. Two-dimensional superconductivity in ultrathin disordered thin films

    International Nuclear Information System (INIS)

    Beasley, M.R.

    1992-01-01

    The status of the understanding of two-dimensional superconductivity in ultrathin, disordered thin films is reviewed. The different consequences of microscopic versus macroscopic disorder are stressed. It is shown that microscopic disorder leads to a rapid suppression of the mean-field transition temperature. The consequences of macroscopic disorder are not well understood, but a universal behavior of the zero-bias resistance as a function of field and temperature has been observed. (orig.)

  11. Nearly zero transmission through periodically modulated ultrathin metal films

    DEFF Research Database (Denmark)

    Xiao, Sanshui; Zhang, Jingjing; Peng, Liang

    2010-01-01

    Transmission of light through an optically ultrathin metal film with a thickness comparable to its skin depth is significant. We demonstrate experimentally nearly-zero transmission of light through a film periodically modulated by a one-dimensional array of subwavelength slits. The suppressed...... optical transmission is due to the excitation of surface plasmon polaritons and the zero-transmission phenomenon is strongly dependent on the polarization of the incident wave....

  12. Ultrathin Metallic Coatings Can Induce Quantum Levitation between Nanosurfaces

    OpenAIRE

    Boström, Mathias; Ninham, Barry W.; Brevik, Iver; Persson, Clas; Parsons, Drew F.; Sernelius, Bo E.

    2012-01-01

    There is an attractive Casimir-Lifshitz force between two silica surfaces in a liquid (bromobenze or toluene). We demonstrate that adding an ultrathin (5-50 angstrom) metallic nanocoating to one of the surfaces results in repulsive Casimir-Lifshitz forces above a critical separation. The onset of such quantum levitation comes at decreasing separations as the film thickness decreases. Remarkably, the effect of retardation can turn attraction into repulsion. From that we explain how an ultrathi...

  13. Ultrathin monomolecular films and robust assemblies based on cyclic catechols

    Czech Academy of Sciences Publication Activity Database

    Zieger, M. M.; Pop-Georgievski, Ognen; de los Santos Pereira, Andres; Verveniotis, E.; Preuss, C. M.; Zorn, M.; Reck, B.; Goldmann, A. S.; Rodriguez-Emmenegger, Cesar; Barner-Kowollik, C.

    2017-01-01

    Roč. 33, č. 3 (2017), s. 670-679 ISSN 0743-7463 R&D Projects: GA ČR(CZ) GJ15-09368Y Grant - others:OPPK(XE) CZ.2.16/3.1.00/21545 Program:OPPK Institutional support: RVO:61389013 Keywords : cyclic catechols * ultrathin films * macromolecules monolayers Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 3.833, year: 2016

  14. On the persistence of polar domains in ultrathin ferroelectric capacitors

    Czech Academy of Sciences Publication Activity Database

    Zubko, P.; Lu, H.; Bark, C.-W.; Martí, Xavier; Santiso, J.; Eom, C.-B.; Catalan, G.; Gruverman, A.

    2017-01-01

    Roč. 29, č. 28 (2017), s. 1-8, č. článku 284001. ISSN 1361-648X R&D Projects: GA ČR GB14-37427G Institutional support: RVO:68378271 Keywords : ultrathin barium titanate * tunnel junctions * ferroelectric domains * polarization screening * retention * negative capacitance Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

  15. The physical and mechanical metallurgy of advanced O+BCC titanium alloys

    Science.gov (United States)

    Cowen, Christopher John

    deformation mechanisms as a function of stress, temperature, and strain rate. Microstructure-creep relationships for Ti-Al-Nb-xB alloys were developed with the understanding gained. A rule-of-mixtures empirical model based on constituent phase volume fractions and strain rates was developed to predict the minimum creep rates of two-phase O+BCC microstructures. The most innovative results of this thesis were produced through the development of an in-situ creep testing methodology. The creep deformation evolution was chronicled in-situ during high temperature creep experiments, while creep displacement versus time data was simultaneously obtained. The in-situ experiments revealed that prior-BCC grain boundaries were the locus of damage accumulation during creep deformation. A methodology that allows in-situ observation of surface creep deformation as a function of creep displacement has yet to be presented in the literature.

  16. Determinants of adherence to therapies among Malaysian women with breast cancer: MyBCC Cohort

    Directory of Open Access Journals (Sweden)

    Mao Li Cheng

    2017-12-01

    Full Text Available Background: Breast cancer therapies have been progressively advancing to improve the breast cancer survival over the last few decades. However, non-adherence to cancer treatments has shown to be associated with reduced treatment effectiveness, increased mortality, and increased health care costs. The aim of the study is to understand the determinants of adherence to therapies among Malaysian breast cancer patients. Methods: This was a secondary analysis of all newly diagnosed Malaysian breast cancer patients recruited into a prospective cohort study in Universiti Malaya Medical Centre, MyBCC cohort, from 1st February 2012 to 31st December 2015. The MyBCC cohort study has ethics approval, MEC number 896.150. The treatment options (surgery, chemotherapy, radiotherapy, and overall therapies, surgical options, socio-demographic characteristics, clinical signs and symptoms, traditional and complementary medicine, and psychosocial assessments were measured using Hospital Anxiety and Depression Scale (HADS and Multidimensional Scale of Perceived Social Support (MSPSS. Results: In total, 467 patients were analysed. The adherence to surgery was 93.8%, chemotherapy 87.7%, radiotherapy 89.1%, and overall therapies 65.8% respectively. Breast conserving surgery was associated with adherence to surgery compared to mastectomy (adjusted OR 5.48 [95% CI 1.00, 30.09], p = 0.034, radiotherapy (adjusted OR 5.44 [95% CI 1.17, 25.16], p = 0.030 and overall therapies (adjusted OR 2.45 [95% CI 1.04, 5.78], p = 0.041. Time from diagnosis to surgery of less than 60 days was associated with adherence to surgery (adjusted OR 49.98 [95% CI 8.47, 289.05], p less than 0.0001 and overall therapies (adjusted OR 9.38 [95% CI 1.26, 69.73], p = 0.029. Adherence to chemotherapy associated with no surgery (adjusted OR 0.15 [95% CI 0.03, 0.70], p = 0.016. Adherence to radiotherapy was associated with financial reimbursement (adjusted OR 4.34 [95% CI 1.03, 18.26], p = 0.045 and

  17. Ultrathin TaOx film based photovoltaic device

    International Nuclear Information System (INIS)

    Tyagi, Pawan

    2011-01-01

    Application of the economical metal oxide thin-film photovoltaic devices is hindered by the poor energy efficiency. This paper investigates the photovoltaic effect with an ultrathin tantalum oxide (TaOx) tunnel barrier, formed by the plasma oxidation of a pre-deposited tantalum (Ta) film. These ∼ 3 nm TaOx tunnel barriers showed approximately 160 mV open circuit voltage and 3-5% energy efficiency, for varying light intensity. The ultrathin TaOx (∼ 3 nm) could absorb approximately 12% of the incident light radiation in 400-1000 nm wavelength range; this strong light absorbing capability was found to be associated with the dramatically large extinction coefficient. Spectroscopic ellipsometry revealed that the extinction coefficient of 3 nm TaOx was ∼ 0.2, two orders higher than that of tantalum penta oxide (Ta 2 O 5 ). Interestingly, refractive index of this 3 nm thick TaOx was comparable with that of stochiometeric Ta 2 O 5 . However, heating and prolonged high-intensity light exposure deteriorated the photovoltaic effect in TaOx junctions. This study provides the basis to explore the photovoltaic effect in a highly economical and easily processable ultrathin metal oxide tunnel barrier or analogous systems.

  18. Elastic properties of ultrathin diamond/AlN membranes

    International Nuclear Information System (INIS)

    Zuerbig, V.; Hees, J.; Pletschen, W.; Sah, R.E.; Wolfer, M.; Kirste, L.; Heidrich, N.; Nebel, C.E.; Ambacher, O.; Lebedev, V.

    2014-01-01

    Nanocrystalline diamond- (NCD) and AlN-based ultrathin single layer and bilayer membranes are investigated towards their mechanical properties. It is shown that chemo-mechanical polishing and heavy boron doping of NCD thin films do not impact the elastic properties of NCD layers as revealed by negligible variations of the NCD Young's modulus (E). In addition, it is demonstrated that the combination of NCD elastic layer and AlN piezo-actuator is highly suitable for the fabrication of mechanically stable ultrathin membranes in comparison to AlN single layer membranes. The elastic parameters of NCD/AlN heterostructures are mainly determined by the outstanding high Young's modulus of NCD (E = 1019 ± 19 GPa). Such ultrathin unimorph membranes allow for fabrication of piezo-actuated AlN/NCD microlenses with tunable focus length. - Highlights: • Mechanical properties of nanocrystalline diamond (NCD) and AlN circular membranes • No influence of polishing of NCD thin films on the mechanical properties of NCD • No influence of heavy boron-doping on the mechanical properties of NCD • Demonstration of mechanically stable piezo-actuated NCD/AlN membranes • Reported performance of AlN/NCD microlenses with adjustable focus length

  19. Development of a new formulation of interferons (HEBERPAG for BCC treatment

    Directory of Open Access Journals (Sweden)

    Bello-Rivero I

    2013-12-01

    Full Text Available Purpose: This work is aimed to show briefly, the clinical development of a new pharmaceutical formulation of interferons for the treatment of basal cell carcinoma. Methods: A rationale design of the combination of IFN-α2b and -γ based in their anti-proliferative synergism on several tumors cell lines identified adequate proportions to be combined to obtain the best clinical results. The potential mechanism of antitumoral effect was studied by qPCR mRNA quantification. HEBERPAG (anti-proliferative synergistic combination of co-formulated recombinant interferons-α2b and –γ was used in clinical trials in adult patients with non-melanoma skin cancer. Trials were conducted after approval by the ethics review boards of the institutions participating in trials; and the patients gave their written informed consent to be enrolled in the studies and receive HEBERPAG. Results: HEBERPAG inhibits the proliferation of several tumor cell lines in vitro and in vivo. The combination has improved pharmacodinamic properties. Several clinical trials have demonstrated the efficacy of HEBERPAG in BCC, with excellent cosmetic effect and well tolerable, mild side effects. HEBERPAG was approved by State Control Center for Drug, Medical Equipment and Devises in Cuba, for the treatment of basal cell carcinoma of any subtype, size and localization, and adjuvant to other treatments, surgical or not. After 3-year follow-up, a recurrence rate of 0.03% was detected in treated patients. Conclusions: HEBERPAG is a novel formulation of IFNs, more potent than separated IFNs for the treatment of basal cell carcinoma, with more rapid and prolonged clinical effect and excellent cosmetic effect and safety profile.

  20. Decrease Risk Behavior HIV Infected on Construction Laborers with Behavior Change Communication (BCC Approach

    Directory of Open Access Journals (Sweden)

    Purwaningsih Purwaningsih

    2016-09-01

    The purpose of this study was to determine the effectiveness of BCC approach to the reduction of contracting HIV risk behavior in the construction laborers. Method: This study used operational research design. In this study measures the effectiveness of behavior change of construction workers on the prevention of HIV transmission by comparing the behavior of the construction workers before and after the intervention. The subjects of this study were 150 people risk group of construction workers who work and are spread throughout the city of Surabaya. This research was carried out into three phases, namely, phase preintervention research, intervention research, and post-intervention phase of the study. Implemented in the first year and second year praintervensi stage implemented intervention and post-intervention phases. Result: The results of this study showed that 72% of construction workers is productive (18–35 years and visit his family more than once a month (38%. There is 20% of construction workers had sex with commercial sex workers and no one was using drugs. By 50% of construction workers never get information about HIV/AIDS and as many as 48% never use the services of HIV/AIDS. Discussion: External motivation construction workers associated with the utilization of behavioral HIV/AIDS services with sufficient correlation. Strong external motivation is influenced by risk behaviors of HIV/AIDS were conducted and the desire to get help. Weak external motivation is influenced by a lack of exposure to information related to HIV/AIDS services. The results of the FGD stakeholders have the perception is the same if a construction worker is a high risk group of contracting HIV. Most of the construction workers not have enough knowledge for the prevention of HIV transmission because they do not have access to HIV care and behavior are at risk of contracting HIV by construction workers. Keywords: construction workers, behavior change communication, behavior

  1. Dissolving, trapping and detrapping mechanisms of hydrogen in bcc and fcc transition metals

    Directory of Open Access Journals (Sweden)

    Yu-Wei You

    2013-01-01

    Full Text Available First-principles calculations are performed to investigate the dissolving, trapping and detrapping of H in six bcc (V, Nb, Ta, Cr, Mo, W and six fcc (Ni, Pd, Pt, Cu, Ag, Au metals. We find that the zero-point vibrations do not change the site-preference order of H at interstitial sites in these metals except Pt. One vacancy could trap a maximum of 4 H atoms in Au and Pt, 6 H atoms in V, Nb, Ta, Cr, Ni, Pd, Cu and Ag, and 12 H atoms in Mo and W. The zero-point vibrations never change the maximum number of H atoms trapped in a single vacancy in these metals. By calculating the formation energy of vacancy-H (Vac-Hn complex, the superabundant vacancy in V, Nb, Ta, Pd and Ni is demonstrated to be much more easily formed than in the other metals, which has been found in many metals including Pd, Ni and Nb experimentally. Besides, we find that it is most energetically favorable to form Vac-H1 complex in Pt, Cu, Ag and Au, Vac-H4 in Cr, Mo and W, and Vac-H6 in V, Nb, Ta, Pd and Ni. At last, we examine the detrapping behaviors of H atoms in a single vacancy and find that with the heating rate of 10 K/min a vacancy could accommodate 4, 5 and 6 H atoms in Cr, Mo and W at room temperature, respectively. The detrapping temperatures of all H atoms in a single vacancy in V, Nb, Ta, Ni, Pd, Cu and Ag are below room temperature.

  2. Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

    International Nuclear Information System (INIS)

    Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

    2011-01-01

    Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

  3. bcc transition metals under pressure: results from ultrasonic interferometry and diamond-cell experiments

    International Nuclear Information System (INIS)

    Katahara, K.W.; Manghnani, M.H.; Ming, L.C.; Fisher, E.S.

    1976-01-01

    Hydrostatic pressure derivatives of the single-crystal elastic moduli, dC/sub ij//dP, have been measured ultrasonically for b.c.c. Nb--Mo and Ta--W solid solutions. The composition dependence of various electronic properties of these alloys is known to be reasonably well approximated by a rigid-electron-band filling model where e/a, the electron per atom ratio, is the primary parameter. The results indicate that the elastic moduli and their pressure derivatives may also be calculated in such a model. In particular, the dC/sub ij//dP show relatively sharp increases at e/a compositions of 5.4 for Nb--Mo and 5.7 for Ta--W. Both compositions correspond to changes in Fermi surface topology, as deduced from existing band calculations and the rigid band assumption. The results are discussed in the light of related electronic properties and possible geophysical applications. A comparison is also made between ultrasonic results and X-ray diffraction data for Nb. Using diamond-anvil pressure cell, compression of Nb was determined by X-ray diffraction up to 55 kbar in a liquid medium under purely hydrostatic conditions, and up to 175 kbar in a solid medium under nonhydrostatic conditions. The data obtained under hydrostatic conditions agree well with the ultrasonic equation of state and shock wave data, whereas the nonhydrostatic results tend to imply either a higher bulk modulus K/sub s/ or a higher (par. deltaK/sub s//par. deltaP)/sub T/

  4. Electronic structure of disordered Fe-V alloys

    International Nuclear Information System (INIS)

    Krause, J.C.; Paduani, C.; Schaff, J.; Costa, M.I. Jr. da

    1998-01-01

    The first-principles discrete variational method is employed to investigate the electronic structure and local magnetic properties of disordered Fe-V alloys. The spin-polarized case is considered in the formalism of the local-spin-density approximation, with the exchange-correlation term of von Barth endash Hedin. The effect on the local magnetic properties of adding V atoms in the immediate neighborhood of iron atoms is investigated. The partial density of states, hyperfine field (H c ), magnetic moment (μ), and isomer shift are obtained for the central atom of the cluster. For the impurity V atom in the bcc iron host the calculated values for H c and μ are -203 kG and -0.86μ B , respectively. The isolated Fe atom in a bcc vanadium host exhibits a collapsed moment and acts as a receptor for electrons. In ordered alloys the calculations indicate also a vanishing moment at iron sites. copyright 1998 The American Physical Society

  5. Short-range order in Fe-based metallic glasses: Wide-angle X-ray scattering studies

    International Nuclear Information System (INIS)

    Babilas, Rafał; Hawełek, Łukasz; Burian, Andrzej

    2014-01-01

    The local atomic structure of the Fe 80 B 20 , Fe 70 Nb 10 B 20 and Fe 62 Nb 8 B 30 glasses prepared in the form of ribbons has been studied by wide-angle X-ray scattering. Structural information about the amorphous ribbons has been derived from analysis of the radial distribution functions using the least-squares curve-fitting method. The obtained structural parameters indicate that Fe–Fe, Fe–B, Fe–Nb and Nb–B contributions are involved in the near-neighbor coordination spheres. The possible similarities of the local atomic arrangement in the investigated glasses and the crystalline Fe 3 B, Fe 23 B 6 and bcc Fe structures are also discussed. - Graphical abstract: Pair distribution functions (a) and best-fit model and experimental radial distribution functions for Fe 80 B 20 (b), Fe 70 Nb 10 B 20 (c) and Fe 62 Nb 8 B 30 (d) metallic glasses. - Highlights: • The short-range ordering in the Fe-based metallic glasses is presented. • The results of RDF function have been analyzed using the least-squares method. • The Fe–Fe, Fe–B, Fe–Nb or Nb–B contributions are involved in coordination spheres. • The structural unit is distorted triangular prism containing B, Fe or Nb atoms. • Similarities of atomic arrangement in glassy and crystalline structures are discussed

  6. Influence of Ti addition and sintering method on microstructure and mechanical behavior of a medium-entropy Al0.6CoNiFe alloy

    International Nuclear Information System (INIS)

    Fu, Zhiqiang; Chen, Weiping; Chen, Zhen; Wen, Haiming; Lavernia, Enrique J.

    2014-01-01

    The influence of Ti addition and sintering method on the microstructure and mechanical behavior of a medium-entropy alloy, Al 0.6 CoNiFe alloy, was studied in detail. Alloying behavior, microstructure, phase evolution and mechanical properties of Al 0.6 CoNiFe and Ti 0.4 Al 0.6 CoNiFe alloys were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), as well as by mechanical testing. During the mechanical alloying (MA) process, a supersaturated solid solution consisting of both BCC and FCC phases was formed in the Al 0.6 CoNiFe alloy. With Ti addition, the Ti 0.4 Al 0.6 CoNiFe alloy exhibited a supersaturated solid solution with a single FCC phase. Following hot pressing (HP), the HP sintered (HP’ed) Al 0.6 CoNiFe bulk alloy was composed of a major BCC phase and a minor FCC phase. The HP’ed Ti 0.4 Al 0.6 CoNiFe alloy exhibited a FCC phase, two BCC phases and a trace unidentified phase. Nanoscale twins were present in the HP’ed Ti 0.4 Al 0.6 CoNiFe alloy, where deformation twins were observed in the FCC phase. Our results suggest that the addition of Ti facilitated the formation of nanoscale twins. The compressive strength and Vickers hardness of HP’ed Ti 0.4 Al 0.6 CoNiFe alloy were slightly lower than the corresponding values of the HP’ed Al 0.6 CoNiFe alloy. In contrast with HP’ed Al 0.6 CoNiFe alloy, spark plasma sintered (SPS’ed) Al 0.6 CoNiFe alloy exhibited a major FCC phase and a minor BCC phase. Moreover, the SPS’ed Al 0.6 CoNiFe alloy exhibited a lower compressive strength and Vickers hardness, but singificantly higher plasticity, as compared to those of the HP’ed counterpart material

  7. Switching characteristics for ferroelectric random access memory based on RC model in poly(vinylidene fluoride-trifluoroethylene) ultrathin films

    Energy Technology Data Exchange (ETDEWEB)

    Liu, ChangLi [Department of Physics, East China University of Science and Technology, Shanghai 200237 (China); Complex and Intelligent System Research Center, East China University of Science and Technology, Shanghai 200237 (China); Wang, XueJun [Complex and Intelligent System Research Center, East China University of Science and Technology, Shanghai 200237 (China); Zhang, XiuLi [Department of Physics, East China University of Science and Technology, Shanghai 200237 (China); School of Fundamental Studies, Shanghai University of Engineering Science, Shanghai 201620 (China); Du, XiaoLi [School of Fundamental Studies, Shanghai University of Engineering Science, Shanghai 201620 (China); Xu, HaiSheng, E-mail: hsxu@ecust.edu.cn [Department of Physics, East China University of Science and Technology, Shanghai 200237 (China); Kunshan Hisense Electronics Co., Ltd., Kunshan, Jiangsu 215300 (China)

    2016-05-15

    The switching characteristic of the poly(vinylidene fluoride-trifluoroethlene) (P(VDF-TrFE)) films have been studied at different ranges of applied electric field. It is suggest that the increase of the switching speed upon nucleation protocol and the deceleration of switching could be related to the presence of a non-ferroelectric layer. Remarkably, a capacitor and resistor (RC) links model plays significant roles in the polarization switching dynamics of the thin films. For P(VDF-TrFE) ultrathin films with electroactive interlayer, it is found that the switching dynamic characteristics are strongly affected by the contributions of resistor and non-ferroelectric (non-FE) interface factors. A corresponding experiment is designed using poly(3,4-ethylene dioxythiophene):poly(styrene sulfonic) (PEDOT-PSSH) as interlayer with different proton concentrations, and the testing results show that the robust switching is determined by the proton concentration in interlayer and lower leakage current in circuit to reliable applications of such polymer films. These findings provide a new feasible method to enhance the polarization switching for the ferroelectric random access memory.

  8. Switching characteristics for ferroelectric random access memory based on RC model in poly(vinylidene fluoride-trifluoroethylene) ultrathin films

    International Nuclear Information System (INIS)

    Liu, ChangLi; Wang, XueJun; Zhang, XiuLi; Du, XiaoLi; Xu, HaiSheng

    2016-01-01

    The switching characteristic of the poly(vinylidene fluoride-trifluoroethlene) (P(VDF-TrFE)) films have been studied at different ranges of applied electric field. It is suggest that the increase of the switching speed upon nucleation protocol and the deceleration of switching could be related to the presence of a non-ferroelectric layer. Remarkably, a capacitor and resistor (RC) links model plays significant roles in the polarization switching dynamics of the thin films. For P(VDF-TrFE) ultrathin films with electroactive interlayer, it is found that the switching dynamic characteristics are strongly affected by the contributions of resistor and non-ferroelectric (non-FE) interface factors. A corresponding experiment is designed using poly(3,4-ethylene dioxythiophene):poly(styrene sulfonic) (PEDOT-PSSH) as interlayer with different proton concentrations, and the testing results show that the robust switching is determined by the proton concentration in interlayer and lower leakage current in circuit to reliable applications of such polymer films. These findings provide a new feasible method to enhance the polarization switching for the ferroelectric random access memory.

  9. Investigation of the paramagnetic phase of bcc iron using polarized neutron scattering

    International Nuclear Information System (INIS)

    Wicksted, J.P.; Shirane, G.; Steinsvoll, O.

    1983-01-01

    Recent neutron scattering experiments on Ni and Fe (4%-Si) above T/sub c/ have demonstrated that a simple paramagnetic scattering function S(Qω) proportional to 1/(kappa 1 2 + q 2 ).GAMMA/(GAMMA 2 + ω 2 ) can explain the persistent spin wave ridges previously reported by Lynn and Mook. We present our new polarized beam results on pure Fe and describe in some detail the special problems associated with the unpolarized beam studies of magnetic cross sections at high temperatures

  10. Modelling of initial stages of interstitial solid solution decomposition in bcc metals

    Energy Technology Data Exchange (ETDEWEB)

    Blanter, M S

    1982-01-01

    By means of a model of deformation interaction of interstitial atoms added by interlocking of the nearest positions the configuration of cluster of alien atoms intruded into octahedral ..cap alpha..-Fe, V, Nb and Ta interstitially sites is computerized. The cluster structure is determined by elastic properties, of the crystal lattice of the metal-solvent. Clusters in ..cap alpha..-Fe have a plate form in a plane (001) of half lattice period width, in V, Nb and Ta - of monatomic plate in a plane (110). Clusters of interstitials must be sufficiently stable and arise even in solutions low concentration.

  11. Microstructure and Magnetic Properties of Fe and Fe-alloy Thin Films Epitaxially Grown on MgO(100) Substrates

    Energy Technology Data Exchange (ETDEWEB)

    Matsubara, Katsuki; Ohtake, Mitsuru; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: matsubara@futamoto.elect.chuo-u.ac.jp [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

    2011-07-06

    Fe, Fe{sub 50}Co{sub 50}, and Fe{sub 80}Ni{sub 20} (at. %) single-crystal films with the (100){sub bcc} plane parallel to the substrate surface were prepared on MgO(100) single-crystals heated at 300 {sup 0}C by ultra high vacuum molecular beam epitaxy. The film growth mechanism, the film structure, and the magnetic properties were investigated. In-situ reflection high energy electron diffraction and X-ray diffraction analyses indicate that the strains in the films are very small though there are fairly large mismatches of -3.7{approx}-4.3% at the film/substrate interface. Cross-sectional high-resolution transmission electron microscopy shows that misfit dislocations are introduced in the film at the interface. Dislocations are also observed in the film up to around 10{approx}20 nm distance from the interface. The presence of such dislocation relieves the strain caused by the lattice mismatch. The in-plane magnetization properties of these films reflect the magnetocrystalline anisotropies of respective bulk Fe, Fe{sub 50}Co{sub 50}, and Fe{sub 80}Ni{sub 20} crystals.

  12. Microstructure and Magnetic Properties of Fe and Fe-alloy Thin Films Epitaxially Grown on MgO(100) Substrates

    International Nuclear Information System (INIS)

    Matsubara, Katsuki; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2011-01-01

    Fe, Fe 50 Co 50 , and Fe 80 Ni 20 (at. %) single-crystal films with the (100) bcc plane parallel to the substrate surface were prepared on MgO(100) single-crystals heated at 300 0 C by ultra high vacuum molecular beam epitaxy. The film growth mechanism, the film structure, and the magnetic properties were investigated. In-situ reflection high energy electron diffraction and X-ray diffraction analyses indicate that the strains in the films are very small though there are fairly large mismatches of -3.7∼-4.3% at the film/substrate interface. Cross-sectional high-resolution transmission electron microscopy shows that misfit dislocations are introduced in the film at the interface. Dislocations are also observed in the film up to around 10∼20 nm distance from the interface. The presence of such dislocation relieves the strain caused by the lattice mismatch. The in-plane magnetization properties of these films reflect the magnetocrystalline anisotropies of respective bulk Fe, Fe 50 Co 50 , and Fe 80 Ni 20 crystals.

  13. A thermodynamic evaluation of the Fe-Nb system

    International Nuclear Information System (INIS)

    Srikanth, S.; Petric, A.

    1994-01-01

    An optimised set of thermodynamic functions consistent with the phase diagram was derived for the Fe-Nb system from information on phase equilibria and thermodynamic data available in the literature. The thermodynamic properties of the intermediate ε (Fe 2 Nb) phase were described using the sublattice model. A Redlich-Kister equation was used to describe the excess thermodynamic functions of the liquid, bcc and fcc phases. For the μ phase, the enthalpy of formation was estimated from Miedema's model. The interaction coefficients were evaluated using an optimisation procedure employing a conjugate gradient method. The phase diagram and the thermodynamic functions calculated from the evaluated parameters are in good agreement with experimental data. (orig.)

  14. Preparing magnetic yttrium iron garnet nanodot arrays by ultrathin anodic alumina template on silicon substrate

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Hui; Han, Mangui, E-mail: han-mangui@yahoo.com; Deng, Longjiang [National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China, Chengdu 610054 (China); Zheng, Liang; Zheng, Peng; Qin, Huibin [Institute of Electron Device and Application, Hangzhou Dianzi University, Hangzhou 310008 (China); Wu, Qiong [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China)

    2015-08-10

    Ultrahigh density periodically ordered magnetic yttrium iron garnet (Y{sub 3}Fe{sub 5}O{sub 12}, YIG) nanodot arrays have been prepared by pulsed laser deposition through an ultrathin alumina mask (UTAM). UTAM having periodically ordered circularly shaped holes with 350 nm in diameter, 450 nm in inter-pore distance, and 700 nm in height has been prepared on silicon substrate. Furthermore, the microstructure and magnetic properties of YIG nanodot arrays have been characterized. Nanodot arrays with a sharp distribution in diameter centered at 340 nm with standard deviation of 10 nm have been fabricated. Moreover, typical hysteresis loops and ferromagnetic resonance spectra in in-plane and out-of-plane revealed that this unique structure greatly influences the magnetics properties of YIG. First, coercivity of YIG nanodot arrays in in-plane was increased about from 15 Oe of YIG films to 500 Oe. Then, the degree of uniformity about nanodot height decided that two or more resonance peaks in out-of-plane were detected in the spectra. The peak-to-peak linewidth values were about 94 Oe and 40 Oe in the parallel and perpendicular directions, respectively, which indicated that the values were larger by the two-magnon scattering. Consequently, this pattering method creates opportunities for studying physics in oxide nanomagnets and may be applied in spin-wave devices.

  15. Surface damage in TEM thick α-Fe samples by implantation with 150 keV Fe ions

    International Nuclear Information System (INIS)

    Aliaga, M.J.; Caturla, M.J.; Schäublin, R.

    2015-01-01

    We have performed molecular dynamics simulations of implantation of 150 keV Fe ions in pure bcc Fe. The thickness of the simulation box is of the same order of those used in in situ TEM analysis of irradiated materials. We assess the effect of the implantation angle and the presence of front and back surfaces. The number and type of defects, ion range, cluster distribution and primary damage morphology are studied. Results indicate that, for the very thin samples used in in situ TEM irradiation experiments the presence of surfaces affect dramatically the damage produced. At this particular energy, the ion has sufficient energy to damage both the top and the back surfaces and still leave the sample through the bottom. This provides new insights on the study of radiation damage using TEM in situ

  16. New structures of Fe3S for rare-earth-free permanent magnets

    Science.gov (United States)

    Yu, Shu; Zhao, Xin; Wu, Shunqing; Nguyen, Manh Cuong; Zhu, Zi-zhong; Wang, Cai-Zhuang; Ho, Kai-Ming

    2018-02-01

    We applied an adaptive genetic algorithm (AGA) to search for low-energy crystal structures of Fe3S. A number of structures with energies lower than that of the experimentally reported Pnma and I-4 structures have been obtained from our AGA searches. These low-energy structures can be classified as layer-motif and column-motif structures. In the column-motif structures, Fe atoms self-assemble into rods with a bcc type of underlying lattice, which are separated by the holes terminated by S atoms. In the layer-motif structures, the bulk Fe is broken into slabs of several layers passivated by S atoms. Magnetic property calculations showed that the column-motif structures exhibit reasonably high uniaxial magnetic anisotropy. In addition, we examined the effect of Co doping to Fe3S and found that magnetic anisotropy can be enhanced through Co doping.

  17. On the segregation behavior of tin and antimony at grain boundaries of polycrystalline bcc iron

    Czech Academy of Sciences Publication Activity Database

    Lejček, Pavel; Šandera, P.; Horníková, J.; Pokluda, J.; Godec, M.

    2016-01-01

    Roč. 363, Feb (2016), 140-144 ISSN 0169-4332 R&D Projects: GA ČR GAP108/12/0144 Institutional support: RVO:68378271 Keywords : grain boundary segregation * tin * antimony * Fe based alloy * AES quantification Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.387, year: 2016

  18. Density functional theory studies of screw dislocation core structures in bcc metals

    DEFF Research Database (Denmark)

    Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

    2003-01-01

    The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...... to symmetric core structures for all the studied metals....

  19. Mechanical and electrical properties of ultra-thin chips and flexible electronics assemblies during bending

    NARCIS (Netherlands)

    Van Den Ende, D.A.; Van De Wiel, H.J.; Kusters, R.H.L.; Sridhar, A.; Schram, J.F.M.; Cauwe, M.; Van Den Brand, J.

    2014-01-01

    Ultra-thin chips of less than 20 μm become flexible, allowing integration of silicon IC technology with highly flexible electronics such as food packaging sensor systems or healthcare and sport monitoring tags as wearable patches or even directly in clothing textile. The ultra-thin chips in these

  20. Microstructural and magnetic characterization of iron precipitation in Ni-Fe-Al alloys

    International Nuclear Information System (INIS)

    Duman, Nagehan; Mekhrabov, Amdulla O.; Akdeniz, M. Vedat

    2011-01-01

    The influence of annealing on the microstructural evolution and magnetic properties of Ni 50 Fe x Al 50-x alloys for x = 20, 25, and 30 has been investigated. Solidification microstructures of as-cast alloys reveal coarse grains of a single B2 type β-phase and typical off eutectic microstructure consisting of proeutectic B2 type β dendrites and interdendritic eutectic for x = 20 and x > 20 at.% Fe respectively. However, annealing at 1073 K results in the formation of FCC γ-phase particles along the grain boundaries as well as grain interior in x = 20 at.% Fe alloy. The volume fraction of interdentritic eutectic regions tend to decrease and their morphologies start to degenerate by forming FCC γ-phase for x > 20 at.% Fe alloys with increasing annealing temperatures. Increasing Fe content of alloys induce an enhancement in magnetization and a rise in the Curie transition temperature (T C ). Temperature scan magnetic measurements and transmission electron microscopy reveal that a transient rise in the magnetization at temperatures well above the T C of the alloys would be attributed to the precipitation of a nano-scale ferromagnetic BCC α-Fe phase. Retained magnetization above the Curie transition temperature of alloy matrix, together with enhanced room temperature saturation magnetization of alloys annealed at favorable temperatures support the presence of ferromagnetic precipitates. These nano-scale precipitates are shown to induce significant precipitation hardening of the β-phase in conjunction with enhanced room temperature saturation magnetization in particular when an annealing temperature of 673 K is used. - Research Highlights: → Evolution of microstructure and magnetic properties with varying Fe content. → Transient rise in magnetization via the formation of ferromagnetic phase. → Enhancements in saturation magnetization owing to precipitated ferromagnetic phase. → Nanoscale precipitation of ferromagnetic BCC α-Fe confirmed by TEM.

  1. Retraction of 'Composition design and mechanical properties of BCC Ti solid solution alloys with low Young's modulus'

    International Nuclear Information System (INIS)

    Tulugan, Keli Mu; Park, Cheol Hong; Park, Won Jo; Qing, Wang

    2012-01-01

    The article 'Composition design and mechanical properties of BCC Ti solid solution alloys with low Young's modulus' has been retracted upon the request of the third author (Prof. Wang Qing, the first author's former advisor during his internship at DaLian University of Technology). The article was published without the third author's knowledge and consent. The corresponding author (Prof. Wonjo Park) apologizes to the third author, to the readers, and to the editorial staff of the JMST. The JMST editorial board does not tolerate such actions from authors and we will take appropriate action to prevent this from happening in the future

  2. A new parameterization for ice cloud optical properties used in BCC-RAD and its radiative impact

    International Nuclear Information System (INIS)

    Zhang, Hua; Chen, Qi; Xie, Bing

    2015-01-01

    A new parameterization of the solar and infrared optical properties of ice clouds that considers the multiple habits of ice particles was developed on the basis of a prescribed dataset. First, the fitting formulae of the bulk extinction coefficient, single-scatter albedo, asymmetry factor, and δ-function forward-peak factor at the given 65 wavelengths as a function of effective radius were created for common scenarios, which consider a greater number of wavelengths and are more accurate than those used previously. Then, the band-averaged volume extinction and absorption coefficients, asymmetry factor and forward-peak factor of ice cloud were derived for the BCC-RAD (Beijing Climate Center radiative transfer model) using a parameter reference table. Finally, the newly developed and the original schemes in the BCC-RAD and the commonly used Fu Scheme of ice cloud were all applied to the BCC-RAD. Their influences on radiation calculations were compared using the mid-latitude summer atmospheric profile with ice clouds under no-aerosol conditions, and produced a maximum difference of approximately 30.0 W/m 2 for the radiative flux, and 4.0 K/d for the heating rate. Additionally, a sensitivity test was performed to investigate the impact of the ice crystal density on radiation calculations using the three schemes. The results showed that the maximum difference was 68.1 W/m 2 for the shortwave downward radiative flux (for the case of perpendicular solar insolation), and 4.2 K/d for the longwave heating rate, indicating that the ice crystal density exerts a significant effect on radiation calculations for a cloudy atmosphere. - Highlights: • A new parameterization of the radiative properties of ice cloud was obtained. • More accurate fitting formulae of them were created for common scenarios. • The band-averaged of them were derived for our radiation model of BCC-RAD. • We found that there exist large differences of results among different ice schemes. • We found

  3. Temperature dependence of enthalpies and entropies of formation and migration of mono-vacancy in BCC iron

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Haohua; Woo, C.H., E-mail: chungho@cityu.edu.hk

    2014-12-15

    Entropies and enthalpies of vacancy formation and diffusion in BCC iron are calculated for each temperature directly from free-energies using phase-space trajectories obtained from spin–lattice dynamics simulations. Magnon contributions are found to be particularly substantial in the temperature regime near the α−β (ferro/para-magnetic) transition. Strong temperature dependence and singular behavior can be seen in this temperature regime, reflecting magnon softening effects. Temperature dependence of the lattice component in this regime is also much more significant compared to previous estimations based on Arrhenius-type fitting. Similar effects on activation processes involving other irradiation-produced defects in magnetic materials are expected.

  4. Metal Immiscibility Route to Synthesis of Ultrathin Carbides, Borides, and Nitrides.

    Science.gov (United States)

    Wang, Zixing; Kochat, Vidya; Pandey, Prafull; Kashyap, Sanjay; Chattopadhyay, Soham; Samanta, Atanu; Sarkar, Suman; Manimunda, Praveena; Zhang, Xiang; Asif, Syed; Singh, Abhisek K; Chattopadhyay, Kamanio; Tiwary, Chandra Sekhar; Ajayan, Pulickel M

    2017-08-01

    Ultrathin ceramic coatings are of high interest as protective coatings from aviation to biomedical applications. Here, a generic approach of making scalable ultrathin transition metal-carbide/boride/nitride using immiscibility of two metals is demonstrated. Ultrathin tantalum carbide, nitride, and boride are grown using chemical vapor deposition by heating a tantalum-copper bilayer with corresponding precursor (C 2 H 2 , B powder, and NH 3 ). The ultrathin crystals are found on the copper surface (opposite of the metal-metal junction). A detailed microscopy analysis followed by density functional theory based calculation demonstrates the migration mechanism, where Ta atoms prefer to stay in clusters in the Cu matrix. These ultrathin materials have good interface attachment with Cu, improving the scratch resistance and oxidation resistance of Cu. This metal-metal immiscibility system can be extended to other metals to synthesize metal carbide, boride, and nitride coatings. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Fabrication and Characterization of Ultrathin-ring Electrodes for Pseudo-steady-state Amperometric Detection.

    Science.gov (United States)

    Kitazumi, Yuki; Hamamoto, Katsumi; Noda, Tatsuo; Shirai, Osamu; Kano, Kenji

    2015-01-01

    The fabrication of ultrathin-ring electrodes with a diameter of 2 mm and a thickness of 100 nm is established. The ultrathin-ring electrodes provide a large density of pseudo-steady-state currents, and realize pseudo-steady-state amperometry under quiescent conditions without a Faraday cage. Under the limiting current conditions, the current response at the ultrathin-ring electrode can be well explained by the theory of the microband electrode response. Cyclic voltammograms at the ultrathin-ring electrode show sigmoidal characteristics with some hysteresis. Numerical simulation reveals that the hysteresis can be ascribed to the time-dependence of pseudo-steady-state current. The performance of amperometry with the ultrathin-ring electrode has been verified in its application to redox enzyme kinetic measurements.

  6. Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

    Science.gov (United States)

    Lee, Stephen; Hoffmann, Roald

    2002-05-01

    Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

  7. NEUTRON-INDUCED SWELLING OF Fe-Cr BINARY ALLOYS IN FFTF AT ∼400 DEGREES C

    International Nuclear Information System (INIS)

    Garner, Francis A.; Greenwood, Lawrence R.; Okita, Taira; Sekimura, Naoto; Wolfer, W. G.

    2002-01-01

    The purpose of this effort is to determine the influence of dpa rate, He/dpa ratio and composition on the void swelling of simple binary Fe-Cr alloys. Contrary to the behavior of swelling of model fcc Fe-Cr-Ni alloys irradiated in the same FFTF-MOTA experiment, model bcc Fe-Cr alloys do not exhibit a dependence of swelling on dpa rate at approximately 400 degrees C. This is surprising in that an apparent flux-sensitivity was observed in an earlier comparative irradiation of Fe-Cr binaries conducted in EBR-II and FFTF. The difference in behavior is ascribed to the higher helium generation rates of Fe-Cr alloys in EBR-II compared to that of FFTF, and also the fact that lower dpa rates in FFTF are accompanied by progressively lower helium generation rates.

  8. Structure of Ag, Fe and Ge microclusters

    International Nuclear Information System (INIS)

    Montano, P.A.; Shenoy, G.K.; Schulze, W.

    1989-01-01

    The structures of Ag, Fe and Ge microclusters were determined using EXAFS. The measurements were performed over a wide range of clusters sizes. The clusters were prepared using the gas aggregation technique and isolated in solid argon at 4.2 K. The measurements were performed at the National Synchrotron Light Source (NSLS) at beam line X-18B. A strong contraction of the interatomic distances was observed for Ag dimers and multimers. Silver clusters larger than 12 A mean diameter show a small contraction of the nn distance and a structure consistent with an fcc lattice. By contrast clusters smaller than 12 A show the presence of a small expansion and a strong reduction or absence of nnn in the EXAFS signal. This points towards a different crystallographic structure for Ag microclusters with diameter less than 12 A. In iron clusters we observe a gradual reduction of the nn distance as the cluster size decreases. The interatomic distance for iron dimers was determined to be 1.94 A, in good agreement with earlier measurements. The iron microclusters show a bcc structure down to a mean diameter of 9 A. Iron clusters with 9 A mean diameter show a structure inconsistent with a bcc lattice. The new structure is consistent with an fcc or hcp lattice. The measurements on Ge clusters show the presence of only nearest neighbors. There was clear evidence of temporal annealing as determined by variations in the near edge structure of the K-absorption edge. Absorption edge measurements were also performed for free Ge clusters travelling perpendicular to the direction of the synchrotron radiation beam. The measurements performed on the free clusters were consistent with those obtained for matrix isolated clusters. (orig.)

  9. Spatially Resolved Large Magnetization in Ultrathin BiFeO3

    KAUST Repository

    Guo, Er-Jia; Petrie, Jonathan R.; Roldan, Manuel A.; Li, Qian; Desautels, Ryan D.; Charlton, Timothy; Herklotz, Andreas; Nichols, John; van Lierop, Johan; Freeland, John W.; Kalinin, Sergei V.; Lee, Ho Nyung; Fitzsimmons, Michael R.

    2017-01-01

    . The results show the enhanced net magnetic moment in BFO from the LSMO/BFO interface extends 3-4 unit cells into BFO. The interior part of a thicker BFO layer has a much smaller magnetization, suggesting it still keeps the small canted AFM state. The results

  10. Quantum magnetotransport properties of ultrathin topological insulator films

    KAUST Repository

    Tahir, M.

    2013-01-30

    We study the quantum magnetotransport in ultrathin topological insulator films in an external magnetic field considering hybridization between the upper and lower surfaces of the film. We investigate the two possible mechanisms for splitting of Landau levels, Zeeman and hybridization effects, and show that their interplay leads to minima in the collisional and Hall conductivities with a metal-to-insulator phase transition at the charge neutrality point. Hall plateaus arise at unusual multiples of e2/h . Evidence of a quantum phase transition for the zeroth and splitting of the higher Landau levels is found from the temperature and magnetic field dependences of the transport.

  11. Quantum magnetotransport properties of ultrathin topological insulator films

    KAUST Repository

    Tahir, M.; Sabeeh, K.; Schwingenschlö gl, Udo

    2013-01-01

    We study the quantum magnetotransport in ultrathin topological insulator films in an external magnetic field considering hybridization between the upper and lower surfaces of the film. We investigate the two possible mechanisms for splitting of Landau levels, Zeeman and hybridization effects, and show that their interplay leads to minima in the collisional and Hall conductivities with a metal-to-insulator phase transition at the charge neutrality point. Hall plateaus arise at unusual multiples of e2/h . Evidence of a quantum phase transition for the zeroth and splitting of the higher Landau levels is found from the temperature and magnetic field dependences of the transport.

  12. Ultrathin magnetic structures II measurement techniques and novel magnetic properties

    CERN Document Server

    Heinrich, Bretislav

    2006-01-01

    The ability to understand and control the unique properties of interfaces has created an entirely new field of magnetism, with profound impact in technology and serving as the basis for a revolution in electronics. Our understanding of the physics of magnetic nanostructures has also advanced significantly. This rapid development has generated a need for a comprehensive treatment that can serve as an introduction to the field for those entering it from diverse fields, but which will also serve as a timely overview for those already working in this area. The four-volume work Ultra-Thin Magnetic

  13. Optical properties of vacuum deposited polyaniline ultra-thin film

    International Nuclear Information System (INIS)

    Wahab, M. R. A.; Din, M.; Yunus, W. M. M.; Hasan, Z. A.; Kasim, A.

    2005-01-01

    Full text: Ultra-thin films of emeraldine base (EB) and emeraldine salt (ES) form of polyaniline (PANi) were prepared using electron-gun vacuum deposition. Thickness range studied was between 100AA and 450AA. Dielectric permittivity of the films determined from Kretchmann Configuration Surface Plasmon Resonance (SPR) angles-scanning set-up show shifts and narrowing of the SPR dip. Absorbance spectra of S-polarized and P-polarized light show the aging effect on orientation of the film. The effect of aging on its conductivity and photoluminescence is also correlated to the surface morphology

  14. Electronic and magnetic properties of ultrathin rhodium nanowires

    CERN Document Server

    Wang Bao Lin; Ren-Yun; Sun Hou Qian; Chen Xiao Shuang; Zhao Ji Jun

    2003-01-01

    The structures of ultrathin rhodium nanowires are studied using empirical molecular dynamics simulations with a genetic algorithm. Helical multishell cylindrical and pentagonal packing structures are found. The electronic and magnetic properties of the rhodium nanowires are calculated using an spd tight-binding Hamiltonian in the unrestricted Hartree-Fock approximation. The average magnetic moment and electronic density of states are obtained. Our results indicate that the electronic and magnetic properties of the rhodium nanowires depend not only on the size of the wire but also on the atomic structure. In particular, centred pentagonal and hexagonal structures can be unusually ferromagnetic.

  15. Design of an ultra-thin dual band infrared system

    Science.gov (United States)

    Du, Ke; Cheng, Xuemin; Lv, Qichao; Hu, YiFei

    2014-11-01

    The ultra-thin imaging system using reflective multiple-fold structure has smaller volume and less weight while maintaining high resolution compared with conventional optical systems. The multi-folded approach can significantly extend focal distance within wide spectral range without incurring chromatic aberrations. In this paper, we present a dual infrared imaging system of four-folded reflection with two air-spaced concentric reflective surfaces. The dual brand IR system has 107mm effective focal length, 0.7NA, +/-4° FOV, and 50mm effective aperture with 80mm outer diameter into a 25mm total thickness, which spectral response is 3~12μm.

  16. Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy

    International Nuclear Information System (INIS)

    León, H.

    2013-01-01

    The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112 ¯ ] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: ► Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. ► Numerical results are presented for distorted fcc [001] structures. ► The lowest energy of a system depends on how the tetragonal distortion is achieved. ► A striped phase with magnetization in the [112 ¯ ] direction is the ground state. ► In multidomain NiO and MnO films it is eightfold degenerate.

  17. Ultra-thin Metal and Dielectric Layers for Nanophotonic Applications

    DEFF Research Database (Denmark)

    Shkondin, Evgeniy; Leandro, Lorenzo; Malureanu, Radu

    2015-01-01

    In our talk we first give an overview of the various thin films used in the field of nanophotonics. Then we describe our own activity in fabrication and characterization of ultra-thin films of high quality. We particularly focus on uniform gold layers having thicknesses down to 6 nm fabricated by......-beam deposition on dielectric substrates and Al-oxides/Ti-oxides multilayers prepared by atomic layer deposition in high aspect ratio trenches. In the latter case we show more than 1:20 aspect ratio structures can be achieved....

  18. Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates

    Energy Technology Data Exchange (ETDEWEB)

    Al-Zubi, Ali

    2010-12-22

    In this thesis, we investigate the magnetic properties of 3d transition-metal monolayers on 4d transition-metal substrates by means of state of the art first-principles quantum theory. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4d substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3d transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund's rule with a maximum magnetic moment for Mn of about 3.7 {mu}{sub B} depending on the substrate orientation. The largest induced magnetic moment of about 0.46 {mu}{sub B} is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 x 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3d-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a double-row-wise antiferromagnetic state along the [11 anti 2] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagnetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4d

  19. Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates

    Energy Technology Data Exchange (ETDEWEB)

    Al-Zubi, Ali

    2010-12-22

    In this thesis, we investigate the magnetic properties of 3d transition-metal monolayers on 4d transition-metal substrates by means of state of the art first-principles quantum theory. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4d substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3d transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund's rule with a maximum magnetic moment for Mn of about 3.7 {mu}{sub B} depending on the substrate orientation. The largest induced magnetic moment of about 0.46 {mu}{sub B} is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 x 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3d-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a double-row-wise antiferromagnetic state along the [11 anti 2] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagnetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4d-transition metals

  20. Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates

    International Nuclear Information System (INIS)

    Al-Zubi, Ali

    2010-01-01

    In this thesis, we investigate the magnetic properties of 3d transition-metal monolayers on 4d transition-metal substrates by means of state of the art first-principles quantum theory. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4d substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3d transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund's rule with a maximum magnetic moment for Mn of about 3.7 μ B depending on the substrate orientation. The largest induced magnetic moment of about 0.46 μ B is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 x 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3d-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a double-row-wise antiferromagnetic state along the [11 anti 2] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagnetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4d-transition metals (Tc, Ru, Rh

  1. Oxygen-induced immediate onset of the antiferromagnetic stacking in thin Cr films on Fe(001)

    Energy Technology Data Exchange (ETDEWEB)

    Berti, Giulia, E-mail: giulia.berti@polimi.it; Brambilla, Alberto; Calloni, Alberto; Bussetti, Gianlorenzo; Finazzi, Marco; Duò, Lamberto; Ciccacci, Franco [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy)

    2015-04-20

    We investigated the magnetic coupling of ultra-thin Cr films grown at 600 K on a Fe(001)-p(1 × 1)O substrate by means of spin-polarized photoemission spectroscopy. Our findings show that the expected antiferromagnetic stacking of the magnetization in Cr(001) layers occurs right from the first atomic layer at the Cr/Fe interface. This is at variance with all previous observations in similar systems, prepared in oxygen-free conditions, which always reported on a delayed onset of the magnetic oscillations due to the occurrence of significant chemical alloying at the interface, which is substantially absent in our preparation.

  2. Microstructural origins of high strength and high ductility in an AlCoCrFeNi2.1 eutectic high-entropy alloy

    International Nuclear Information System (INIS)

    Gao, Xuzhou; Lu, Yiping; Zhang, Bo; Liang, Ningning; Wu, Guanzhong; Sha, Gang; Liu, Jizi; Zhao, Yonghao

    2017-01-01

    Recent studies indicate that eutectic high-entropy alloys can simultaneously possess high strength and high ductility, which have potential applications in industrial fields. Nevertheless, microstructural origins of the excellent strength–ductility combination remain unclear. In this study, an AlCoCrFeNi 2.1 eutectic high-entropy alloy was prepared with face-centered cubic (FCC)(L1 2 )/body-centered-cubic (BCC)(B2) modulated lamellar structures and a remarkable combination of ultimate tensile strength (1351 MPa) and ductility (15.4%) using the classical casting technique. Post-deformation transmission electron microscopy revealed that the FCC(L1 2 ) phase was deformed in a matter of planar dislocation slip, with a slip system of {111} <110>, and stacking faults due to low stacking fault energy. Due to extreme solute drag, high densities of dislocations are distributed homogeneously at {111} slip plane. In the BCC(B2) phase, some dislocations exist on two {110} slip bands. The atom probe tomography analysis revealed a high density of Cr-enriched nano-precipitates, which strengthened the BCC(B2) phase by Orowan mechanisms. Fracture surface observation revealed a ductile fracture in the FCC(L1 2 ) phase and a brittle-like fracture in the BCC(B2) lamella. The underlying mechanism for the high strength and high ductility of AlCoCrFeNi 2.1 eutectic high-entropy alloy was finally analyzed based on the coupling between the ductile FCC(L1 2 ) and brittle BCC(B2) phases.

  3. High-mobility ultrathin semiconducting films prepared by spin coating.

    Science.gov (United States)

    Mitzi, David B; Kosbar, Laura L; Murray, Conal E; Copel, Matthew; Afzali, Ali

    2004-03-18

    The ability to deposit and tailor reliable semiconducting films (with a particular recent emphasis on ultrathin systems) is indispensable for contemporary solid-state electronics. The search for thin-film semiconductors that provide simultaneously high carrier mobility and convenient solution-based deposition is also an important research direction, with the resulting expectations of new technologies (such as flexible or wearable computers, large-area high-resolution displays and electronic paper) and lower-cost device fabrication. Here we demonstrate a technique for spin coating ultrathin (approximately 50 A), crystalline and continuous metal chalcogenide films, based on the low-temperature decomposition of highly soluble hydrazinium precursors. We fabricate thin-film field-effect transistors (TFTs) based on semiconducting SnS(2-x)Se(x) films, which exhibit n-type transport, large current densities (>10(5) A cm(-2)) and mobilities greater than 10 cm2 V(-1) s(-1)--an order of magnitude higher than previously reported values for spin-coated semiconductors. The spin-coating technique is expected to be applicable to a range of metal chalcogenides, particularly those based on main group metals, as well as for the fabrication of a variety of thin-film-based devices (for example, solar cells, thermoelectrics and memory devices).

  4. High-mobility ultrathin semiconducting films prepared by spin coating

    Science.gov (United States)

    Mitzi, David B.; Kosbar, Laura L.; Murray, Conal E.; Copel, Matthew; Afzali, Ali

    2004-03-01

    The ability to deposit and tailor reliable semiconducting films (with a particular recent emphasis on ultrathin systems) is indispensable for contemporary solid-state electronics. The search for thin-film semiconductors that provide simultaneously high carrier mobility and convenient solution-based deposition is also an important research direction, with the resulting expectations of new technologies (such as flexible or wearable computers, large-area high-resolution displays and electronic paper) and lower-cost device fabrication. Here we demonstrate a technique for spin coating ultrathin (~50Å), crystalline and continuous metal chalcogenide films, based on the low-temperature decomposition of highly soluble hydrazinium precursors. We fabricate thin-film field-effect transistors (TFTs) based on semiconducting SnS2-xSex films, which exhibit n-type transport, large current densities (>105Acm-2) and mobilities greater than 10cm2V-1s-1-an order of magnitude higher than previously reported values for spin-coated semiconductors. The spin-coating technique is expected to be applicable to a range of metal chalcogenides, particularly those based on main group metals, as well as for the fabrication of a variety of thin-film-based devices (for example, solar cells, thermoelectrics and memory devices).

  5. Superstable Ultrathin Water Film Confined in a Hydrophilized Carbon Nanotube.

    Science.gov (United States)

    Tomo, Yoko; Askounis, Alexandros; Ikuta, Tatsuya; Takata, Yasuyuki; Sefiane, Khellil; Takahashi, Koji

    2018-03-14

    Fluids confined in a nanoscale space behave differently than in the bulk due to strong interactions between fluid molecules and solid atoms. Here, we observed water confined inside "open" hydrophilized carbon nanotubes (CNT), with diameter of tens of nanometers, using transmission electron microscopy (TEM). A 1-7 nm water film adhering to most of the inner wall surface was observed and remained stable in the high vacuum (order of 10 -5 Pa) of the TEM. The superstability of this film was attributed to a combination of curvature, nanoroughness, and confinement resulting in a lower vapor pressure for water and hence inhibiting its vaporization. Occasional, suspended ultrathin water film with thickness of 3-20 nm were found and remained stable inside the CNT. This film thickness is 1 order of magnitude smaller than the critical film thickness (about 40 nm) reported by the Derjaguin-Landau-Verwey-Overbeek theory and previous experimental investigations. The stability of the suspended ultrathin water film is attributed to the additional molecular interactions due to the extended water meniscus, which balances the rest of the disjoining pressures.

  6. Low temperature CVD growth of ultrathin carbon films

    Directory of Open Access Journals (Sweden)

    Chao Yang

    2016-05-01

    Full Text Available We demonstrate the low temperature, large area growth of ultrathin carbon films by chemical vapor deposition under atmospheric pressure on various substrates. In particularly, uniform and continuous carbon films with the thickness of 2-5 nm were successfully grown at a temperature as low as 500 oC on copper foils, as well as glass substrates coated with a 100 nm thick copper layer. The characterizations revealed that the low-temperature-grown carbon films consist on few short, curved graphene layers and thin amorphous carbon films. Particularly, the low-temperature grown samples exhibited over 90% transmittance at a wavelength range of 400-750 nm and comparable sheet resistance in contrast with the 1000oC-grown one. This low-temperature growth method may offer a facile way to directly prepare visible ultrathin carbon films on various substrate surfaces that are compatible with temperatures (500-600oC used in several device processing technologies.

  7. Ultrathin regioregular poly(3-hexyl thiophene) field-effect transistors

    DEFF Research Database (Denmark)

    Sandberg, H.G.O.; Frey, G.L.; Shkunov, M.N.

    2002-01-01

    Ultrathin films of regioregular poly(3-hexyl thiophene) (RR-P3HT) were deposited through a dip-coating technique and utilized as the semiconducting film in field-effect transistors (FETs). Proper selection of the substrate and solution concentration enabled the growth of a monolayer-thick RR-P3HT...... film. Atomic force microscopy (AFM), U-V-vis absorption spectroscopy, X-ray reflectivity, and grazing incidence diffraction were used to study the growth mechanism, thickness and orientation of self-organized monolayer thick RR-P3HT films on SiO2 surfaces. Films were found to adopt a Stranski......-Krastanov-type growth mode with formation of a very stable first monolayer. X-ray measurements show that the direction of pi-stacking in the films (the (010) direction) is parallel to the substrate, which is the preferred orientation for high field-effect carrier mobilities. The field-effect mobilities in all ultrathin...

  8. In situ polymerization process of polypyrrole ultrathin films

    International Nuclear Information System (INIS)

    Onoda, Mitsuyoshi; Tada, Kazuya; Shinkuma, Akira

    2006-01-01

    A novel thin film processing technique has been developed for the fabrication of ultrathin films of conducting polymers with molecular-level control over thickness and multilayer architecture. This new self-assembly process opens up vast possibilities in applications which require large area, ultrathin films of conducting polymers and more importantly in applications that can take advantage of the unique interactions achievable in the complex, supermolecular architectures of multilayer films. In in situ polymerized polypyrrole (PPy), the deposition process strongly depends on the nature of the substrate surface. That is, for a surface that is negatively charged, there is a linear correspondence between dipping time and the amount of PPy deposited on the substrate. However, in the case of a positively charged surface, there is an apparent rest period of approximately 10-20 min, during which no PPy is deposited. From optical absorption spectroscopy and photoelectron emission studies etc., it became clear that oligomers of pyrrole were adsorbed on the positively charged surface during the rest period, as a result the polymerization reaction of PPy could proceed

  9. Chemical gating of epitaxial graphene through ultrathin oxide layers.

    Science.gov (United States)

    Larciprete, Rosanna; Lacovig, Paolo; Orlando, Fabrizio; Dalmiglio, Matteo; Omiciuolo, Luca; Baraldi, Alessandro; Lizzit, Silvano

    2015-08-07

    We achieved a controllable chemical gating of epitaxial graphene grown on metal substrates by exploiting the electrostatic polarization of ultrathin SiO2 layers synthesized below it. Intercalated oxygen diffusing through the SiO2 layer modifies the metal-oxide work function and hole dopes graphene. The graphene/oxide/metal heterostructure behaves as a gated plane capacitor with the in situ grown SiO2 layer acting as a homogeneous dielectric spacer, whose high capacity allows the Fermi level of graphene to be shifted by a few hundreds of meV when the oxygen coverage at the metal substrate is of the order of 0.5 monolayers. The hole doping can be finely tuned by controlling the amount of interfacial oxygen, as well as by adjusting the thickness of the oxide layer. After complete thermal desorption of oxygen the intrinsic doping of SiO2 supported graphene is evaluated in the absence of contaminants and adventitious adsorbates. The demonstration that the charge state of graphene can be changed by chemically modifying the buried oxide/metal interface hints at the possibility of tuning the level and sign of doping by the use of other intercalants capable of diffusing through the ultrathin porous dielectric and reach the interface with the metal.

  10. Soft Ultrathin Electronics Innervated Adaptive Fully Soft Robots.

    Science.gov (United States)

    Wang, Chengjun; Sim, Kyoseung; Chen, Jin; Kim, Hojin; Rao, Zhoulyu; Li, Yuhang; Chen, Weiqiu; Song, Jizhou; Verduzco, Rafael; Yu, Cunjiang

    2018-03-01

    Soft robots outperform the conventional hard robots on significantly enhanced safety, adaptability, and complex motions. The development of fully soft robots, especially fully from smart soft materials to mimic soft animals, is still nascent. In addition, to date, existing soft robots cannot adapt themselves to the surrounding environment, i.e., sensing and adaptive motion or response, like animals. Here, compliant ultrathin sensing and actuating electronics innervated fully soft robots that can sense the environment and perform soft bodied crawling adaptively, mimicking an inchworm, are reported. The soft robots are constructed with actuators of open-mesh shaped ultrathin deformable heaters, sensors of single-crystal Si optoelectronic photodetectors, and thermally responsive artificial muscle of carbon-black-doped liquid-crystal elastomer (LCE-CB) nanocomposite. The results demonstrate that adaptive crawling locomotion can be realized through the conjugation of sensing and actuation, where the sensors sense the environment and actuators respond correspondingly to control the locomotion autonomously through regulating the deformation of LCE-CB bimorphs and the locomotion of the robots. The strategy of innervating soft sensing and actuating electronics with artificial muscles paves the way for the development of smart autonomous soft robots. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Ultra-thin infrared metamaterial detector for multicolor imaging applications.

    Science.gov (United States)

    Montoya, John A; Tian, Zhao-Bing; Krishna, Sanjay; Padilla, Willie J

    2017-09-18

    The next generation of infrared imaging systems requires control of fundamental electromagnetic processes - absorption, polarization, spectral bandwidth - at the pixel level to acquire desirable information about the environment with low system latency. Metamaterial absorbers have sparked interest in the infrared imaging community for their ability to enhance absorption of incoming radiation with color, polarization and/or phase information. However, most metamaterial-based sensors fail to focus incoming radiation into the active region of a ultra-thin detecting element, thus achieving poor detection metrics. Here our multifunctional metamaterial absorber is directly integrated with a novel mid-wave infrared (MWIR) and long-wave infrared (LWIR) detector with an ultra-thin (~λ/15) InAs/GaSb Type-II superlattice (T2SL) interband cascade detector. The deep sub-wavelength metamaterial detector architecture proposed and demonstrated here, thus significantly improves the detection quantum efficiency (QE) and absorption of incoming radiation in a regime typically dominated by Fabry-Perot etalons. Our work evinces the ability of multifunctional metamaterials to realize efficient wavelength selective detection across the infrared spectrum for enhanced multispectral infrared imaging applications.

  12. Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells.

    Science.gov (United States)

    Aeberhard, Urs; Rau, Uwe

    2017-06-16

    The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based on detailed balance relations between local absorption and emission rates in optically isotropic media with nondegenerate quasiequilibrium carrier distributions. In many cases, the dependence of density and spatial variation of electronic and optical device states on the point of operation is modest and the reciprocity relation holds. In nanostructure-based photovoltaic devices exploiting confined modes, however, the underlying assumptions are no longer justifiable. In the case of ultrathin absorber solar cells, the modification of the electronic structure with applied bias is significant due to the large variation of the built-in field. Straightforward use of the external quantum efficiency as measured at short circuit conditions in the photovoltaic reciprocity theory thus fails to reproduce the electroluminescence spectrum at large forward bias voltage. This failure is demonstrated here by numerical simulation of both spectral quantities at normal incidence and emission for an ultrathin GaAs p-i-n solar cell using an advanced quantum kinetic formalism based on nonequilibrium Green's functions of coupled photons and charge carriers. While coinciding with the semiclassical relations under the conditions of their validity, the theory provides a consistent microscopic relationship between absorption, emission, and charge carrier transport in photovoltaic devices at arbitrary operating conditions and for any shape of optical and electronic density of states.

  13. Extracellular ultrathin fibers sensitive to intracellular reactive oxygen species: Formation of intercellular membrane bridges

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Se-Hui; Park, Jin-Young; Joo, Jung-Hoon; Kim, Young-Myeong; Ha, Kwon-Soo, E-mail: ksha@kangwon.ac.kr

    2011-07-15

    Membrane bridges are key cellular structures involved in intercellular communication; however, dynamics for their formation are not well understood. We demonstrated the formation and regulation of novel extracellular ultrathin fibers in NIH3T3 cells using confocal and atomic force microscopy. At adjacent regions of neighboring cells, phorbol 12-myristate 13-acetate (PMA) and glucose oxidase induced ultrathin fiber formation, which was prevented by Trolox, a reactive oxygen species (ROS) scavenger. The height of ROS-sensitive ultrathin fibers ranged from 2 to 4 nm. PMA-induced formation of ultrathin fibers was inhibited by cytochalasin D, but not by Taxol or colchicine, indicating that ultrathin fibers mainly comprise microfilaments. PMA-induced ultrathin fibers underwent dynamic structural changes, resulting in formation of intercellular membrane bridges. Thus, these fibers are formed by a mechanism(s) involving ROS and involved in formation of intercellular membrane bridges. Furthermore, ultrastructural imaging of ultrathin fibers may contribute to understanding the diverse mechanisms of cell-to-cell communication and the intercellular transfer of biomolecules, including proteins and cell organelles.

  14. Fabrication of Ultra-thin Color Films with Highly Absorbing Media Using Oblique Angle Deposition.

    Science.gov (United States)

    Yoo, Young Jin; Lee, Gil Ju; Jang, Kyung-In; Song, Young Min

    2017-08-29

    Ultra-thin film structures have been studied extensively for use as optical coatings, but performance and fabrication challenges remain.  We present an advanced method for fabricating ultra-thin color films with improved characteristics. The proposed process addresses several fabrication issues, including large area processing. Specifically, the protocol describes a process for fabricating ultra-thin color films using an electron beam evaporator for oblique angle deposition of germanium (Ge) and gold (Au) on silicon (Si) substrates.  Film porosity produced by the oblique angle deposition induces color changes in the ultra-thin film. The degree of color change depends on factors such as deposition angle and film thickness. Fabricated samples of the ultra-thin color films showed improved color tunability and color purity. In addition, the measured reflectance of the fabricated samples was converted into chromatic values and analyzed in terms of color. Our ultra-thin film fabricating method is expected to be used for various ultra-thin film applications such as flexible color electrodes, thin film solar cells, and optical filters. Also, the process developed here for analyzing the color of the fabricated samples is broadly useful for studying various color structures.

  15. Spectroelectrochemical properties of ultra-thin indium tin oxide films under electric potential modulation

    Energy Technology Data Exchange (ETDEWEB)

    Han, Xue, E-mail: x0han004@louisville.edu; Mendes, Sergio B., E-mail: sbmend01@louisville.edu

    2016-03-31

    In this work, the spectroscopic properties of ultra-thin ITO films are characterized under an applied electric potential modulation. To detect minute spectroscopic features, the ultra-thin ITO film was coated over an extremely sensitive single-mode integrated optical waveguide, which provided a long pathlength with more than adequate sensitivity for optical interrogation of the ultra-thin film. Experimental configurations with broadband light and several laser lines at different modulation schemes of an applied electric potential were utilized to elucidate the nature of intrinsic changes. The imaginary component of the refractive index (absorption coefficient) of the ultra-thin ITO film is unequivocally shown to have a dependence on the applied potential and the profile of this dependence changes substantially even for wavelengths inside a small spectral window (500–600 nm). The characterization technique and the data reported here can be crucial to several applications of the ITO material as a transparent conductive electrode, as for example in spectroelectrochemical investigations of surface-confined redox species. - Highlights: • Optical waveguides are applied for spectroscopic investigations of ultra-thin films. • Ultra-thin ITO films in aqueous environment are studied under potential modulation. • Unique spectroscopic features of ultra-thin ITO films are unambiguously observed.

  16. Alloying behavior and deformation twinning in a CoNiFeCrAl0.6Ti0.4 high entropy alloy processed by spark plasma sintering

    International Nuclear Information System (INIS)

    Fu, Zhiqiang; Chen, Weiping; Fang, Sicong; Zhang, Dayue; Xiao, Huaqiang; Zhu, Dezhi

    2013-01-01

    Highlights: ► CoNiFeCrAl 0.6 Ti 0.4 high entropy alloy has been synthesized via MA and SPS. ► Deformation twinning possibly occurred during MA or SPS. ► This alloy exhibits excellent mechanical properties. ► The fracture mechanism of this alloy is intergranular fracture and plastic fracture. -- Abstract: Inequi-atomic CoNiFeCrAl 0.6 Ti 0.4 high entropy alloy has been designed and fabricated by mechanical alloying (MA) and spark plasma sintering (SPS). Alloying behavior, microstructure, phase evolution and mechanical properties of CoNiFeCrAl 0.6 Ti 0.4 alloy were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscope (TEM), as well as by an Instron testing system. During MA, a supersaturated solid solution consisting of a FCC phase and a metastable BCC phase was formed. Two FCC phases (named FCC1 and FCC2) and a new BCC phase were observed after SPS. During SPS, the metastable BCC phase transformed into the FCC2 phase and the new BCC phase. Meanwhile, the FCC1 phase was the initial FCC phase which was formed during MA. Moreover, nanoscale twins obviously presented only in partial FCC1 phase after SPS. Deformation twinning may be occurred during MA or SPS. The sintered alloy with a high relative density of 98.83% exhibits excellent comprehensive mechanical properties. The yield stress, compressive strength, compression ratio and Vickers hardness of the alloy are 2.08, 2.52 GPa, 11.5% and 573 H V , respectively. The fracture mechanism of CoNiFeCrAl 0.6 Ti 0.4 high entropy alloy is mainly performed at intergranular fracture and plastic fracture mode

  17. Tensile properties of several 800 MeV proton-irradiated bcc metals and alloys

    International Nuclear Information System (INIS)

    Brown, R.D.; Wechsler, M.S.; Tschalar, C.

    1987-01-01

    A spallation neutron source for the 600-MeV proton accelerator facility at the Swiss Institute for Nuclear Research (SIN) consists of a vertical cylinder filled with molten Pb-Bi. The proton beam enters the cylinder, passing upward through a window in contact with the Pb-Bi eutectic liquid that must retain reasonable strength and ductility upon irradiation at about 673 K to fluence of about 1 x 10/sup 25/ protons/m/sup 2/. Investigations are underway at the 800-MeV proton accelerator at the Los Alamos Meson Physics Facility (LAMPF) to test the performance of candidate SIN window materials under appropriate conditions of temperature, irradiation, and environment. Based on considerations of chemical compatibility with molten Pb-Bi, as well as interest in identifying fundamental radiation damage mechanisms, Fe, Ta, Fe-2.25Cr-1Mo, and Fe-12Cr-1Mo(HT-9) were chosen as candidate materials. Sheet tensile samples, 0.5-mm thick, of the four materials were fabricated and heat treated. The samples were sealed inside capsules containing Pb-Bi and were proton-irradiated at LAMPF to two fluences, 4.8 and 54 x 10/sup 23/ p/m/sup 2/. The beam current was approximately equal to the 1 mA anticipated for the upgraded SIN accelerator. The power deposited by the proton beam in the capsules was sufficient to maintain sample temperatures of about 673 K. Post-irradiation tensile tests were conducted at room temperature at a strain rate of 9 x 10/sup -4/s/sup -1/. The yield and ultimate strengths increased upon irradiation in all materials, while the ductility decreased, as indicated by the uniform strain. The pure metals, Ta and Fe, exhibited the greatest radiation hardening and embrittlement. The HT-9 alloy showed the smallest changes in strength and ductility. The increase in strength following irradiation is discussed in terms of a dispersed-barrier hardening model, for which the barrier sizes and formation cross sections are calculated

  18. Thermomechanical behavior of Fe-Mn-Si-Cr-Ni shape memory alloys modified with samarium

    International Nuclear Information System (INIS)

    Shakoor, R.A.; Khalid, F. Ahmad

    2009-01-01

    The deformation and training behavior of Fe-14Mn-3Si-10Cr-5Ni (wt.%) shape memory alloys containing samarium addition has been studied in the iron-based shape memory alloys. It is noticed that thermomechanical treatment (training) has significant influence on proof stress, critical stress and shape memory behavior of the alloys. The improvement in shape memory behavior can be attributed to the decrease in the proof stress and critical stress which facilitates the formation of ε (hcp martensite). It is also observed that alloy 2 containing samarium undergoes less softening as compared to alloy 1 with training which inhibits the formation of α (bcc martensite) and thus enhances the shape memory behavior. The excessive thermomechanical treatment with increase in the training cycle has led to the formation of α (bcc martensite) along with ε (hcp martensite) in the alloy 1 which appeared to have decline in the shape memory effect. This has been demonstrated by the examination of microstructure and identification of α (bcc martensite) martensite in the alloy 1 as compared to alloy 2

  19. Nano-structured variable capacitor based on P(VDF-TrFE) copolymer and carbon nanotubes

    Science.gov (United States)

    Lakbita, I.; El-Hami, K.

    2018-02-01

    A newly organic capacitor was conceived with a variable capacitance using the inverse piezoelectric effect. The device consists of two parallel plates of carbon nanotubes (CNTs), known for their large surface area, high sensitivity and high electric conductivity, separated by a thin film of a dielectric layer of Polyinylidene fluoride and trifluoroehtylene (P(VDF-TrFE)) promising material for piezoelectric and ferroelectric properties. The obtained architecture is the CNT/PVDF-TrFE/CNT capacitor device. In this study, an ultra-thin film of P(VDF-TrFE) (54/46) with thickness of 20 nm was elaborated on highly oriented pyrolytic graphite (HOPG) by spin-coating. The morphology of the ultra-thin film and the mechanical behavior of CNT/P(VDF-TrFE)/CNT system were studied using the atomic force microscopy (AFM) combined with a lock-in amplifier in contact mode. All changes in applied voltage induce a change in thin film thickness according to the inverse piezoelectric effect that affect, consequently the capacitance. The results showed that the ratio of capacitance change ΔC to initial capacitance C0 is ΔC/C0=5%. This value is sufficient to use P(VDF-TrFE) as variable organic capacitor.

  20. MgB2 ultrathin films fabricated by hybrid physical chemical vapor deposition and ion milling

    Directory of Open Access Journals (Sweden)

    Narendra Acharya

    2016-08-01

    Full Text Available In this letter, we report on the structural and transport measurements of ultrathin MgB2 films grown by hybrid physical-chemical vapor deposition followed by low incident angle Ar ion milling. The ultrathin films as thin as 1.8 nm, or 6 unit cells, exhibit excellent superconducting properties such as high critical temperature (Tc and high critical current density (Jc. The results show the great potential of these ultrathin films for superconducting devices and present a possibility to explore superconductivity in MgB2 at the 2D limit.

  1. The effect of voids on the hardening of body-centered cubic Fe

    Energy Technology Data Exchange (ETDEWEB)

    Nakai, Ryosuke, E-mail: ryosuke.nakai@jupiter.qse.tohoku.ac.jp [Department of Quantum Science and Energy Engineering, Tohoku University, 6-6-01-2, Aramaki-Aza-Aoba, Aobaku, Sendai, Miyagi, 980-8579 (Japan); Yabuuchi, Kiyohiro, E-mail: k-yabuuchi@iae.kyoto-u.ac.jp [Department of Quantum Science and Energy Engineering, Tohoku University, 6-6-01-2, Aramaki-Aza-Aoba, Aobaku, Sendai, Miyagi, 980-8579 (Japan); Institute of Advanced Energy, Kyoto University, Gokasho, Uji, Kyoto, 611-0011 (Japan); Nogami, Shuhei, E-mail: shuhei.nogami@qse.tohoku.ac.jp [Department of Quantum Science and Energy Engineering, Tohoku University, 6-6-01-2, Aramaki-Aza-Aoba, Aobaku, Sendai, Miyagi, 980-8579 (Japan); Hasegawa, Akira, E-mail: akira.hasegawa@qse.tohoku.ac.jp [Department of Quantum Science and Energy Engineering, Tohoku University, 6-6-01-2, Aramaki-Aza-Aoba, Aobaku, Sendai, Miyagi, 980-8579 (Japan)

    2016-04-01

    The mechanical properties of metals are affected by various types of defects. Hardening is usually described through the interaction between dislocations and obstacles, in the so-called line tension theory. The strength factor in the line tension theory represents the resistance of a defect against the dislocation motion. In order to understand hardening from the viewpoint of the microstructure, an accurate determination of the strength factor of different types of defects is essential. In the present study, the strength factor of voids in body-centered cubic (BCC) Fe was investigated by two different approaches: one based on the Orowan equation to link the measured hardness with the average size and density of voids, and the other involving direct observation of the interaction between dislocations and voids by transmission electron microscope (TEM). The strength factor of voids induced by ion irradiation estimated by the Orowan equation was 0.6, whereas the strength factor estimated by the direct TEM approach was 0.8. The difference in the strength factors measured by the two approaches is due to the positional relationship between dislocations and voids: the central region of a void is stronger than the tip. Moreover, the gliding plane and the direction of dislocation may also affect the strength factor of voids. This study determined the strength factor of voids in BCC Fe accurately, and suggested that the contribution of voids to the irradiation hardening is larger than that of dislocation loops and Cu-rich precipitates. - Highlights: • The strength factor of voids in BCC Fe was experimentally investigated. • The strength factor of voids estimated by the line tension theory was 0.6. • The strength factor of voids estimated by the bowing angle of dislocations was 0.8. • The different strength factors are due to the positional relationship.

  2. Crystallite size effect on the monoclinic deformation of the bcc crystal structure of chromium

    Science.gov (United States)

    Przeniosło, R.; Fabrykiewicz, P.; Sosnowska, I.; Wardecki, D.; Sławiński, W. A.; Playford, H. Y.; Hempelmann, R.; Bukowski, M.

    2018-02-01

    The modulated spin density wave magnetic orderings observed in chromium suggests that the crystal structure of chromium cannot be described by the cubic space group Im 3 bar m. Our experimental studies of polycrystalline and nanocrystalline chromium by synchrotron radiation (SR) and neutron powder diffraction show a hkl-dependent Bragg peak broadening which can be interpreted by the low-symmetry monoclinic space group P21 / n instead of the high symmetry cubic space group Im 3 bar m. The monoclinic angle is βm = 90.05(1)° and 90.29(1)° for polycrystalline Cr and nanocrystalline Cr, respectively. The relative monoclinic distortion observed in chromium is 5 times larger than those reported for several oxides: BiFeO3, α-Fe2O3, Cr2O3 and calcite. The symmetry of the magnetic transverse spin density wave (TSDW) and the longitudinal spin density wave (LSDW) observed in Cr are described by using the superspace groups P21 / n(0 β 0) 00 and P 21‧ /n‧(0 β 0) 00, respectively. These superspace groups describe both the magnetic modulations and the atomic position modulations reported in the literature. The monoclinic symmetry of chromium is a robust effect which is observed in the paramagnetic as well as in the TSDW and LSDW phases.

  3. Comparative Study by MS and XRD of Fe{sub 50}Al{sub 50} Alloys Produced by Mechanical Alloying, Using Different Ball Mills

    Energy Technology Data Exchange (ETDEWEB)

    Rojas Martinez, Y., E-mail: yarojas@ut.edu.co [University of Tolima, Department of Physics (Colombia); Perez Alcazar, G. A. [University of Valle, Department of Physics (Colombia); Bustos Rodriguez, H.; Oyola Lozano, D., E-mail: doyolalozano@yahoo.com.mx [University of Tolima, Department of Physics (Colombia)

    2005-02-15

    In this work we report a comparative study of the magnetic and structural properties of Fe{sub 50}Al{sub 50} alloys produced by mechanical alloying using two different planetary ball mills with the same ball mass to powder mass relation. The Fe{sub 50}Al{sub 50} sample milled during 48 h using the Fritsch planetary ball mill pulverisette 5 and balls of 20 mm, presents only a bcc alloy phase with a majority of paramagnetic sites, whereas that sample milled during the same time using the Fritsch planetary ball mill pulverisette 7 with balls of 15 mm, presents a bcc alloy phase with paramagnetic site (doublet) and a majority of ferromagnetic sites which include pure Fe. However for 72 h of milling this sample presents a bcc paramagnetic phase, very similar to that prepared with the first system during 48 h. These results show that the conditions used in the first ball mill equipment make more efficient the milling process.

  4. Moment mapping of body-centered-cubic Fe{sub x}Mn{sub 1−x} alloy films on MgO(001)

    Energy Technology Data Exchange (ETDEWEB)

    Idzerda, Y. U., E-mail: idzerda@physics.montana.edu; Bhatkar, H. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States); Arenholz, E. [Advanced Light Source, Lawrence Berkeley National Laboratories, Berkeley, California 59717 (United States)

    2015-05-07

    The alloy composition and elemental magnetic moments of bcc single crystal films of compositionally graded Fe{sub x}Mn{sub 1−x} films (20 nm thick films with 0.8 ≤ x ≤ 0.9) grown on MgO(001) are spatially mapped using X-ray absorption spectroscopy and magnetic circular dichroism. Electron diffraction measurements on single composition samples confirmed that the structure of Fe{sub x}Mn{sub 1−x} films remained epitaxial and in the bcc phase from 0.65 ≤ x ≤ 1, but rotated 45° with respect to the MgO(001) surface net. This is beyond the bulk bcc stability limit of x = 0.88. The Fe moment is found to gradually reduce with increasing Mn content with a very abrupt decline at x = 0.85, a slightly higher composition than observed in the bulk. Surprisingly, the Mn exhibits a very small net moment (<0.1 μ{sub B}) at all compositions, suggesting a complex Mn spin structure.

  5. Study on the depth profile analysis of Fe/Co intermixing in [SmCo{sub 5}/Fe]{sub 11} magnetic multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Saravanan, P., E-mail: psdrdo@gmail.com [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India); Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Hsu, Jen-Hwa, E-mail: jhhsu@phys.ntu.edu.tw [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Perumal, A.; Gayen, Anabil [Department of Physics, Indian Institute of Technology Guwahati, Guwahati 781039 (India); Reddy, G.L.N.; Kumar, Sanjiv [National Centre for Compositional Characterization of Materials, Bhabha Atomic Research Centre, ECIL Post, Hyderabad 500062 (India); Kamat, S.V. [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India)

    2014-09-01

    Multilayer films were sputtered on Si (1 0 0) substrate by following a layer sequence of Cr (10 nm)/[Fe (4 nm)/SmCo{sub 5} (20 nm)]{sub 11}/Cr (90 nm) at room temperature and subsequently, subjected to two-stage annealing. The phase composition, the extent of inter-diffusion at the SmCo{sub 5}/Fe interfaces and the magnetic properties of multilayered samples were investigated by X-ray diffraction (XRD), RBS and super-conducting quantum interference device (SQUID), respectively. The XRD studies showed the crystallization of SmCo{sub 5}-phase in the hard layer along with a bcc-Fe (Co)-phase in the soft layer, while the RBS depth profile analysis revealed the changes that occur in the effective Fe-layer thickness and diffused Co-content as minimal for the Fe-layer index, n{sub Fe}≤5. A single-phase behavior associated with strong in-plane anisotropy was evidenced with the SQUID measurements. The observed remanence enhancement (1020 kA/m) and energy product value (286 kJ/m{sup 3}) in these multilayers are discussed in the context of Fe-layer thickness and diffused Co-content.

  6. First principles calculation of L21+A2 coherent equilibria in the Fe-Al-Ti system

    International Nuclear Information System (INIS)

    Alonso, Paula R.; Gargano, Pablo H.; Ramirez-Caballero, Gustavo E.; Balbuena, Perla B.; Rubiolo, Gerardo H.

    2009-01-01

    By combining first-principles density functional total energy calculations and statistical mechanics the ground state and the phase equilibria at finite temperatures of the ternary system Fe-Al-Ti have been investigated. Total energy calculations have been performed by means of the Wien 2k code to establish the ground state energetic. A cluster expansion method was therewith used to describe solid solutions. At several chosen finite temperatures the cluster variation method in the irregular tetrahedron approximation was employed in order to calculate the iron rich ternary bcc equilibria. It is confirmed that there are two kinds of phase separations of the bcc phase, A2+L2 1 and B2+L2 1 .

  7. Structure and magnetism of metastable Fe nanoparticles in SrTiO3

    CERN Document Server

    Augustyns, Valerie; Pereira, Lino

    2017-08-30

    Iron (Fe), one of the most abundant elements on Earth, can appear in different structural phases associated with contrasting magnetic properties, depending on temperature and pressure. The most common phase is alpha-Fe, which has a body-centered cubic (bcc) structure and is ferromagnetic. Another iron allotrope, gamma-Fe, a high temperature phase in bulk, has a face-centered cubic structure (fcc). However, this iron allotrope has been stabilized at room temperature in nanostructures, namely in thin films or nanoparticles. In these structures, where one or more dimensions are in the nanoscale regime, the structural and magnetic properties can be different from those of bulk gamma-Fe. Whereas bulk gamma-Fe is antiferromagnetic, different magnetic states have been reported for gamma-Fe thin films. When ferromagnetism was observed, this was associated with a face-centered tetragonal (fct) distortion in the gamma-Fe thin film. In this thesis, the coupling between structure and magnetism in embedded gamma-Fe nanop...

  8. Statistical study of defects caused by primary knock-on atoms in fcc Cu and bcc W using molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Warrier, M., E-mail: Manoj.Warrier@gmail.com [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Bhardwaj, U.; Hemani, H. [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Schneider, R. [Computational Science, Ernst-Moritz-Arndt University, D-17489 Greifswald (Germany); Mutzke, A. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany); Valsakumar, M.C. [School for Engineering Sciences and Technology, University of Hyderabad, Gachibowli, Hyderabad, Telangana State, 500046 (India)

    2015-12-15

    We report on molecular Dynamics (MD) simulations carried out in fcc Cu and bcc W using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code to study (i) the statistical variations in the number of interstitials and vacancies produced by energetic primary knock-on atoms (PKA) (0.1–5 keV) directed in random directions and (ii) the in-cascade cluster size distributions. It is seen that around 60–80 random directions have to be explored for the average number of displaced atoms to become steady in the case of fcc Cu, whereas for bcc W around 50–60 random directions need to be explored. The number of Frenkel pairs produced in the MD simulations are compared with that from the Binary Collision Approximation Monte Carlo (BCA-MC) code SDTRIM-SP and the results from the NRT model. It is seen that a proper choice of the damage energy, i.e. the energy required to create a stable interstitial, is essential for the BCA-MC results to match the MD results. On the computational front it is seen that in-situ processing saves the need to input/output (I/O) atomic position data of several tera-bytes when exploring a large number of random directions and there is no difference in run-time because the extra run-time in processing data is offset by the time saved in I/O. - Highlights: • MD simulations of collision cascades in 200 random directions explored in the energy range of 1–5 keV for fcc Cu and bcc W. • 60–80 random directions must be sampled for the number of displacements produced in a collision cascade to stabilize. • In-cascade clustering of interstitials and vacancies occur. • Direction averaged distribution of interstitials and vacancies around the origin of a PKA is presented. • Comparisons with MD indicate that the recoils produced in BCA-MC simulations be checked for recombination against all vacancies created.

  9. Ab initio calculations of mechanical properties of bcc W-Re-Os random alloys: effects of transmutation of W.

    Science.gov (United States)

    Li, Xiaojie; Schönecker, Stephan; Li, Ruihuan; Li, Xiaoqing; Wang, Yuanyuan; Zhao, Jijun; Johansson, Börje; Vitos, Levente

    2016-06-03

    To examine the effect of neutron transmutation on tungsten as the first wall material of fusion reactors, the elastic properties of W 1-x-y  Re x  Os y (0  ⩽  x, y  ⩽  6%) random alloys in body centered cubic (bcc) structure are investigated systematically using the all-electron exact muffin-tin orbitals (EMTO) method in combination with the coherent-potential approximation (CPA). The calculated lattice constant and elastic properties of pure W are consistent with available experiments. Both Os and Re additions reduce the lattice constant and increase the bulk modulus of W, with Os having the stronger effect. The polycrystalline shear modulus, Young's modulus and the Debye temperature increase (decrease) with the addition of Re (Os). Except for C 11 , the other elastic parameters including C 12 , C 44 , Cauchy pressure, Poisson ratio, B/G, increase as a function of Re and Os concentration. The variations of the latter three parameters and the trend in the ratio of cleavage energy to shear modulus for the most dominant slip system indicate that the ductility of the alloy enhances with increasing Re and Os content. The calculated elastic anisotropy of bcc W slightly increases with the concentration of both alloying elements. The estimated melting temperatures of the W-Re-Os alloy suggest that Re or Os addition will reduce the melting temperature of pure W solid. The classical Labusch-Nabarro model for solid-solution hardening predicts larger strengthening effects in W 1-y  Os y than in W 1-x  Re x . A strong correlation between C' and the fcc-bcc structural energy difference for W 1-x-y  Re x  Os y is revealed demonstrating that canonical band structure dictates the alloying effect on C'. The structural energy difference is exploited to estimate the alloying effect on the ideal tensile strength in the [0 0 1] direction.

  10. Structural and magnetic properties of FeCoC system obtained by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Rincón Soler, A. I. [Universidad Tecnológica de Pereira, Fac. de Ciencias, Depto. de Física (Colombia); Rodríguez Jacobo, R. R., E-mail: rrrodriguez@uao.edu.co [Universidad Autónoma de Occidente, Fac. de Ciencias Básicas, Depto. de Física (Colombia); Medina Barreto, M. H.; Cruz-Muñoz, B. [Universidad Tecnológica de Pereira, Fac. de Ciencias, Depto. de Física (Colombia)

    2017-11-15

    Fe{sub 96−X}Co{sub X}C{sub 4} (x = 0, 10, 20, 30, 40 at. %) alloys were obtained by mechanical alloying of Fe, C and Co powders using high-energy milling. The structural and magnetic properties of the alloy system were analyzed by X-ray diffraction, Scanning Electron Microscopy (SEM), Vibrating Sample Magnetometer (VSM) and Mössbauer Spectrometry at room temperature. The X-ray diffraction patterns showed a BCC-FeCoC structure phase for all samples, as well as a lattice parameter that slightly decreases with Co content. The saturation magnetization and coercive field were analyzed as a function of Co content. The Mössbauer spectra were fitted with a hyperfine magnetic field distribution showing the ferromagnetic behavior and the disordered character of the samples. The mean hyperfine magnetic field remained nearly constant (358 T) with Co content.

  11. Low-temperature thermal expansion of metastable intermetallic Fe-Cr phases

    International Nuclear Information System (INIS)

    Gorbunoff, A.; Levin, A.A.; Meyer, D.C.

    2009-01-01

    The thermal expansion coefficients (TEC) of metastable disordered intermetallic Fe-Cr phases formed in thin Fe-Cr alloy films prepared by an extremely non-equilibrium method of the pulsed laser deposition are studied. The lattice parameters of the alloys calculated from the low-temperature wide-angle X-ray diffraction (WAXRD) patterns show linear temperature dependencies in the temperature range 143-293 K and a deviation from the linearity at lower temperatures. The linear thermal expansion coefficients determined from the slopes of the linear portions of the temperature-lattice parameter dependencies differ significantly from phase to phase and from the values expected for the body-centered cubic (b.c.c.) Fe 1-x Cr x solid solutions. Strain-crystallite size analysis of the samples is performed. Predictions about the Debye temperature and the mechanical properties of the alloys are made.

  12. Structural and magnetic properties of FeCoC system obtained by mechanical alloying

    International Nuclear Information System (INIS)

    Rincón Soler, A. I.; Rodríguez Jacobo, R. R.; Medina Barreto, M. H.; Cruz-Muñoz, B.

    2017-01-01

    Fe 96−X Co X C 4 (x = 0, 10, 20, 30, 40 at. %) alloys were obtained by mechanical alloying of Fe, C and Co powders using high-energy milling. The structural and magnetic properties of the alloy system were analyzed by X-ray diffraction, Scanning Electron Microscopy (SEM), Vibrating Sample Magnetometer (VSM) and Mössbauer Spectrometry at room temperature. The X-ray diffraction patterns showed a BCC-FeCoC structure phase for all samples, as well as a lattice parameter that slightly decreases with Co content. The saturation magnetization and coercive field were analyzed as a function of Co content. The Mössbauer spectra were fitted with a hyperfine magnetic field distribution showing the ferromagnetic behavior and the disordered character of the samples. The mean hyperfine magnetic field remained nearly constant (358 T) with Co content.

  13. Magnetostrictive performance of additively manufactured CoFe rods using the LENSTM system

    Science.gov (United States)

    Jones, Nicholas J.; Yoo, Jin-Hyeong; Ott, Ryan T.; Lambert, Paul K.; Petculescu, Gabriela; Simsek, Emrah; Schlagel, Deborah; Lograsso, Thomas A.

    2018-05-01

    Magnetostrictive materials exhibit a strain in the presence of a variable magnetic field. While they normally require large, highly oriented crystallographic grains for high strain values, metal additive manufacturing (3D printing) may be able to produce highly textured polycrystalline rods, with properties comparable to those manufactured using the more demanding free standing zone melting (FSZM) technique. Rods of Co75.8Fe24.2 and Co63.7Fe36.3 have been fabricated using the Laser engineered net shaping (LENSTM) system to evaluate the performance of additively manufactured magnetic and magnetostrictive materials. The 76% Co sample showed an average magnetostriction (λ) of 86 ppm at a stress of 124 MPa; in contrast, the 64% Co sample showed only 27 ppm at the same stress. For direct comparison, a Co67Fe33 single crystal disk, also measured as part of this study, exhibited a magnetostriction value of 131 and 91 microstrain in the [100] and [111] directions, respectively, with a calculated polycrystalline value (λs) of 107 microstrain. Electron back scattered diffraction (EBSD) has been used to qualitatively link the performance with crystallographic orientation and phase information, showing only the BCC phase in the 76% Co sample, but three different phases (BCC, FCC, and HCP) in the 64% Co sample.

  14. Magnetostrictive performance of additively manufactured CoFe rods using the LENSTM system

    Directory of Open Access Journals (Sweden)

    Nicholas J. Jones

    2018-05-01

    Full Text Available Magnetostrictive materials exhibit a strain in the presence of a variable magnetic field. While they normally require large, highly oriented crystallographic grains for high strain values, metal additive manufacturing (3D printing may be able to produce highly textured polycrystalline rods, with properties comparable to those manufactured using the more demanding free standing zone melting (FSZM technique. Rods of Co75.8Fe24.2 and Co63.7Fe36.3 have been fabricated using the Laser engineered net shaping (LENSTM system to evaluate the performance of additively manufactured magnetic and magnetostrictive materials. The 76% Co sample showed an average magnetostriction (λ of 86 ppm at a stress of 124 MPa; in contrast, the 64% Co sample showed only 27 ppm at the same stress. For direct comparison, a Co67Fe33 single crystal disk, also measured as part of this study, exhibited a magnetostriction value of 131 and 91 microstrain in the [100] and [111] directions, respectively, with a calculated polycrystalline value (λs of 107 microstrain. Electron back scattered diffraction (EBSD has been used to qualitatively link the performance with crystallographic orientation and phase information, showing only the BCC phase in the 76% Co sample, but three different phases (BCC, FCC, and HCP in the 64% Co sample.

  15. Comparative study of the microstructures and mechanical properties of direct laser fabricated and arc-melted Al{sub x}CoCrFeNi high entropy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Jithin, E-mail: jithin@deakin.edu.au [Institute for Frontier Materials, Deakin University, Waurn Ponds 3216 (Australia); Jarvis, Tom; Wu, Xinhua [Monash Centre for Additive Manufacturing, Monash University, Clayton 3168 (Australia); Stanford, Nicole; Hodgson, Peter; Fabijanic, Daniel Mark [Institute for Frontier Materials, Deakin University, Waurn Ponds 3216 (Australia)

    2015-05-01

    High entropy alloys (HEA) are a relatively new metal alloy system that have promising potential in high temperature applications. These multi-component alloys are typically produced by arc-melting, requiring several remelts to achieve chemical homogeneity. Direct laser fabrication (DLF) is a rapid prototyping technique, which produces complex components from alloy powder by selectively melting micron-sized powder in successive layers. However, studies of the fabrication of complex alloys from simple elemental powder blends are sparse. In this study, DLF was employed to fabricate bulk samples of three alloys based on the Al{sub x}CoCrFeNi HEA system, where x was 0.3, 0.6 and 0.85 M fraction of Al. This produced FCC, FCC/BCC and BCC crystal structures, respectively. Corresponding alloys were also produced by arc-melting, and all microstructures were characterised and compared longitudinal and transverse to the build/solidification direction by x-ray diffraction, glow discharge optical emission spectroscopy and scanning electron microscopy (EDX and EBSD). Strong similarities were observed between the single phase FCC and BCC alloys produced by both techniques, however the FCC/BCC structures differed significantly. This has been attributed to a difference in the solidification rate and thermal gradient in the melt pool between the two different techniques. Room temperature compression testing showed very similar mechanical behaviour and properties for the two different processing routes. DLF was concluded to be a successful technique to manufacture bulk HEA's.

  16. Effect of orientation on deformation behavior of Fe nanowires: A molecular dynamics study

    Science.gov (United States)

    Sainath, G.; Srinivasan, V. S.; Choudhary, B. K.; Mathew, M. D.; Jayakumar, T.

    2014-04-01

    Molecular dynamics simulations have been carried out to study the effect of crystal orientation on tensile deformation behaviour of single crystal BCC Fe nanowires at 10 K. Two nanowires with an initial orientation of /{100} and /{111} have been chosen for this study. The simulation results show that the deformation mechanisms varied with crystal orientation. The nanowire with an initial orientation of /{100} deforms predominantly by twinning mechanism, whereas the nanowire oriented in /{111}, deforms by dislocation plasticity. In addition, the single crystal oriented in /{111} shows higher strength and elastic modulus than /{100} oriented nanowire.

  17. Some aspects of thermally induced martensite in Fe-30% Ni-5% Cu alloy

    International Nuclear Information System (INIS)

    Guener, M.; Gueler, E.; Yasar, E.; Aktas, H.

    2007-01-01

    Kinetical, morphological, crystallographical and several thermal properties of thermally induced martensite in the austenite phase of Fe-30% Ni-5% Cu alloy were investigated. Scanning electron microscope (SEM), transmission electron microscope (TEM) and differential scanning calorimetry (DSC) techniques were used during study. Kinetics of the transformation was found to be as athermal type. SEM and TEM observations revealed α' (BCC) martensite formation in the austenite phase of alloy by thermal effect. These thermally induced α' martensites exhibited a thin plate-like morphology with twinnings

  18. Layer texture of hot-rolled BCC metals and its significance for stress-corrosion cracking of main gas pipelines

    Science.gov (United States)

    Perlovich, Yu. A.; Isaenkova, M. G.; Krymskaya, O. A.; Morozov, N. S.

    2016-10-01

    Based on data of X-ray texture analysis of hot-rolled BCC materials it was shown that the layerwise texture inhomogeneity of products is formed during their manufacturing. The effect can be explained by saturation with interstitial impurities of the surface layer, resulting in dynamical deformation aging (DDA). DDA prevents the dislocation slip under rolling and leads to an increase of lattice parameters in the external layer. The degree of arising inhomogeneity correlates with the tendency of hot-rolled sheets and obtained therefrom tubes to stress-corrosion cracking under exploitation, since internal layers have a compressive effect on external layers, and prevents opening of corrosion cracks at the tube surface.

  19. Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium.

    Energy Technology Data Exchange (ETDEWEB)

    Shulenburger, Luke [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mattsson, Thomas Kjell Rene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Desjarlais, Michael Paul [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-01-01

    Motivated by the disagreement between recent diffusion Monte Carlo calculations of the phase transition pressure between the ambient and beta-Sn phases of silicon and experiments, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an opportunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation and after removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

  20. A New Approach to Reducing Search Space and Increasing Efficiency in Simulation Optimization Problems via the Fuzzy-DEA-BCC

    Directory of Open Access Journals (Sweden)

    Rafael de Carvalho Miranda

    2014-01-01

    Full Text Available The development of discrete-event simulation software was one of the most successful interfaces in operational research with computation. As a result, research has been focused on the development of new methods and algorithms with the purpose of increasing simulation optimization efficiency and reliability. This study aims to define optimum variation intervals for each decision variable through a proposed approach which combines the data envelopment analysis with the Fuzzy logic (Fuzzy-DEA-BCC, seeking to improve the decision-making units’ distinction in the face of uncertainty. In this study, Taguchi’s orthogonal arrays were used to generate the necessary quantity of DMUs, and the output variables were generated by the simulation. Two study objects were utilized as examples of mono- and multiobjective problems. Results confirmed the reliability and applicability of the proposed method, as it enabled a significant reduction in search space and computational demand when compared to conventional simulation optimization techniques.

  1. Application of generalized non-Schmid yield law to low-temperature plasticity in bcc transition metals

    International Nuclear Information System (INIS)

    Lim, H; Weinberger, C R; Battaile, C C; Buchheit, T E

    2013-01-01

    In this work, a generalized yield criterion that captures non-Schmid effects is proposed and implemented into a finite element crystal plasticity model to simulate plastic deformation of single and polycrystals. The parameters required for the constitutive formulation were calibrated to deformation experiments on single crystals. This model is used to investigate the effects of non-Schmid effects on the predictions of the stress–strain response and texture evolution in body-centered-cubic (bcc) metals. The non-Schmid contributions are required to accurately predict the stress–strain response of single crystals, and the concomitant non-associativity of the flow also increases the tendency of localization in polycrystal deformations. (paper)

  2. Magnetic Properties and Microstructure of FeOx/Fe/FePt and FeOx/FePt Films

    Directory of Open Access Journals (Sweden)

    Jai-Lin Tsai

    2013-01-01

    Full Text Available The Fe(6 nm/FePt film with perpendicular magnetization was deposited on the glass substrate. To study the oxygen diffusion effect on the coupling of Fe/FePt bilayer, the plasma oxidation with 0.5~7% oxygen flow ratio was performed during sputtered part of Fe layer and formed the FeOx(3 nm/Fe(3 nm/FePt trilayer. Two-step magnetic hysteresis loops were found in trilayer with oxygen flow ratio above 1%. The magnetization in FeOx and Fe/FePt layers was decoupled. The moments in FeOx layer were first reversed and followed by coupled Fe/FePt bilayer. The trilayer was annealed again at 500°C and 800°C for 3 minutes. When the FeOx(3 nm/Fe(3 nm/FePt trilayer was annealed at 500°C, the layers structure was changed to FeOx(6 nm/FePt bilayer due to oxygen diffusion. The hard-magnetic FeOx(6 nm/FePt film was coupled with single switching field. The FeOx/(disordered FePt layer structure was observed with further annealing at 800°C and presented soft-magnetic loop. In summary, the coupling between soft-magnetic Fe, FeOx layer, and hard-magnetic L10 FePt layer can be controlled by the oxygen diffusion behavior, and the oxidation of Fe layer was tuned by the annealing temperature. The ordered L10 FePt layer was deteriorated by oxygen and became disordered FePt when the annealed temperature was up to 800°C.

  3. Magnetic Properties of Fe(001) Thin Films on GaAs(001) Deposited by RF Magnetron Sputtering

    International Nuclear Information System (INIS)

    Ikeya, Hirokazu; Takahashi, Yutaka; Inaba, Nobuyuki; Kirino, Fumiyoshi; Ohtake, Mitsuru; Futamoto, Masaaki

    2011-01-01

    Fe thin films, down to 6 nm thick, were prepared on GaAs(001) substrates by RF magnetron sputtering. The x-ray diffraction (XRD) analyses show that the epitaxial thin films of Fe(001) were grown with cube-on-cube orientation on GaAs(001). Magnetic properties were investigated by vibrating sample magnetometry (VSM) and ferromagnetic resonance (FMR) spectroscopy. The magnetization curves obtained by applying in-plane magnetic fields indicate that easy (hard) direction is along [100] ([110]) and the saturation magnetization is close to the bulk values. The in-plane magnetic anisotropy measured by FMR shows four-fold symmetry, as expected for bcc Fe. We did not observe the in-plane uniaxial magnetic anisotropy reported on the MBE-grown Fe films on GaAs substrates.

  4. The anti-mycobacterial activity of the cytochrome bcc inhibitor Q203 can be enhanced by small-molecule inhibition of cytochrome bd.

    NARCIS (Netherlands)

    Lu, P.; Asseri, A.H.O.; Kremer, Martijn; Maaskant, Janneke; Ummels, Roy; Lill, H.; Bald, D.

    2018-01-01

    Mycobacterial energy metabolism currently attracts strong attention as new target space for development of anti-tuberculosis drugs. The imidazopyridine Q203 targets the cytochrome bcc complex of the respiratory chain, a key component in energy metabolism. Q203 blocks growth of Mycobacterium

  5. 3D atomistic studies of fatigue behaviour of edge crack (0 0 1) in bcc iron loaded in mode i and II

    Czech Academy of Sciences Publication Activity Database

    Machová, Anna; Pokluda, J.; Uhnáková, Alena; Hora, Petr

    2014-01-01

    Roč. 66, September (2014), s. 11-19 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional support: RVO:61388998 Keywords : fatigue crack growth * bcc iron * 3D atomistic simulations * molecular dynamics Subject RIV: JQ - Machines ; Tools Impact factor: 2.275, year: 2014 www.elsevier.com/locate/ijfatigue

  6. The multilayered structure of ultrathin amorphous carbon films synthesized by filtered cathodic vacuum arc deposition

    KAUST Repository

    Wang, Na; Komvopoulos, Kyriakos

    2013-01-01

    The structure of ultrathin amorphous carbon (a-C) films synthesized by filtered cathodic vacuum arc (FCVA) deposition was investigated by high-resolution transmission electron microscopy, electron energy loss spectroscopy, and x-ray photoelectron

  7. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review

    Directory of Open Access Journals (Sweden)

    Jianyi Liu

    2014-09-01

    Full Text Available This review covers methods and recent developments of the theoretical study of domain structures in ultrathin ferroelectric films. The review begins with an introduction to some basic concepts and theories (e.g., polarization and its modern theory, ferroelectric phase transition, domain formation, and finite size effects, etc. that are relevant to the study of domain structures in ultrathin ferroelectric films. Basic techniques and recent progress of a variety of important approaches for domain structure simulation, including first-principles calculation, molecular dynamics, Monte Carlo simulation, effective Hamiltonian approach and phase field modeling, as well as multiscale simulation are then elaborated. For each approach, its important features and relative merits over other approaches for modeling domain structures in ultrathin ferroelectric films are discussed. Finally, we review recent theoretical studies on some important issues of domain structures in ultrathin ferroelectric films, with an emphasis on the effects of interfacial electrostatics, boundary conditions and external loads.

  8. “Self-Peel-Off” Transfer Produces Ultrathin Polyvinylidene-Fluoride-Based Flexible Nanodevices

    KAUST Repository

    Tai, Yanlong; Lubineau, Gilles

    2017-01-01

    Here, a new strategy, self-peel-off transfer, for the preparation of ultrathin flexible nanodevices made from polyvinylidene-fluoride (PVDF) is reported. In this process, a functional pattern of nanoparticles is transferred via peeling from a

  9. Ultrathin Polyamide Membranes Fabricated from Free-Standing Interfacial Polymerization: Synthesis, Modifications, and Post-treatment

    KAUST Repository

    Cui, Yue; Liu, Xiang-Yang; Chung, Neal Tai-Shung

    2016-01-01

    ) membranes. The polyamide selective layer usually possesses a high selectivity and permeability, making it the heart of this membrane technology. To further improve and understand its formation, with entirely excluding the effect of substrate, an ultrathin

  10. A prospective randomized study comparing transnasal and peroral 5-mm ultrathin endoscopy

    Directory of Open Access Journals (Sweden)

    Lian-Feng Lin

    2014-06-01

    Conclusion: PO intubation seems an excellent alternative method when using a 5-mm ultrathin endoscopy because it achieves comparable patient tolerance, acceptance, and satisfaction as TN intubation, takes less time and causes lower intubation failure and epistaxis.

  11. Ultrathin nondoped emissive layers for efficient and simple monochrome and white organic light-emitting diodes.

    Science.gov (United States)

    Zhao, Yongbiao; Chen, Jiangshan; Ma, Dongge

    2013-02-01

    In this paper, highly efficient and simple monochrome blue, green, orange, and red organic light emitting diodes (OLEDs) based on ultrathin nondoped emissive layers (EMLs) have been reported. The ultrathin nondoped EML was constructed by introducing a 0.1 nm thin layer of pure phosphorescent dyes between a hole transporting layer and an electron transporting layer. The maximum external quantum efficiencies (EQEs) reached 17.1%, 20.9%, 17.3%, and 19.2% for blue, green, orange, and red monochrome OLEDs, respectively, indicating the universality of the ultrathin nondoped EML for most phosphorescent dyes. On the basis of this, simple white OLED structures are also demonstrated. The demonstrated complementary blue/orange, three primary blue/green/red, and four color blue/green/orange/red white OLEDs show high efficiency and good white emission, indicating the advantage of ultrathin nondoped EMLs on constructing simple and efficient white OLEDs.

  12. Feasibility of Ultra-Thin Fiber-Optic Dosimeters for Radiotherapy Dosimetry.

    Science.gov (United States)

    Lee, Bongsoo; Kwon, Guwon; Shin, Sang Hun; Kim, Jaeseok; Yoo, Wook Jae; Ji, Young Hoon; Jang, Kyoung Won

    2015-11-17

    In this study, prototype ultra-thin fiber-optic dosimeters were fabricated using organic scintillators, wavelength shifting fibers, and plastic optical fibers. The sensor probes of the ultra-thin fiber-optic dosimeters consisted of very thin organic scintillators with thicknesses of 100, 150 and 200 μm. These types of sensors cannot only be used to measure skin or surface doses but also provide depth dose measurements with high spatial resolution. With the ultra-thin fiber-optic dosimeters, surface doses for gamma rays generated from a Co-60 therapy machine were measured. Additionally, percentage depth doses in the build-up regions were obtained by using the ultra-thin fiber-optic dosimeters, and the results were compared with those of external beam therapy films and a conventional fiber-optic dosimeter.

  13. An ultrathin invisibility skin cloak for visible light.

    Science.gov (United States)

    Ni, Xingjie; Wong, Zi Jing; Mrejen, Michael; Wang, Yuan; Zhang, Xiang

    2015-09-18

    Metamaterial-based optical cloaks have thus far used volumetric distribution of the material properties to gradually bend light and thereby obscure the cloaked region. Hence, they are bulky and hard to scale up and, more critically, typical carpet cloaks introduce unnecessary phase shifts in the reflected light, making the cloaks detectable. Here, we demonstrate experimentally an ultrathin invisibility skin cloak wrapped over an object. This skin cloak conceals a three-dimensional arbitrarily shaped object by complete restoration of the phase of the reflected light at 730-nanometer wavelength. The skin cloak comprises a metasurface with distributed phase shifts rerouting light and rendering the object invisible. In contrast to bulky cloaks with volumetric index variation, our device is only 80 nanometer (about one-ninth of the wavelength) thick and potentially scalable for hiding macroscopic objects. Copyright © 2015, American Association for the Advancement of Science.

  14. Ultrathin Alvarez lens system actuated by artificial muscles.

    Science.gov (United States)

    Petsch, S; Grewe, A; Köbele, L; Sinzinger, S; Zappe, H

    2016-04-01

    A key feature of Alvarez lenses is that they may be tuned in focal length using lateral rather than axial translation, thus reducing the overall length of a focus-tunable optical system. Nevertheless the bulk of classical microsystems actuators limits further miniaturization. We present here a new, ultrathin focus-tunable Alvarez lens fabricated using molding techniques and actuated using liquid crystal elastomer (LCE) artificial muscle actuators. The large deformation generated by the LCE actuators permits the integration of the actuators in-plane with the mechanical and optical system and thus reduces the device thickness to only 1.6 mm. Movement of the Alvarez lens pair of 178 μm results in a focal length change of 3.3 mm, based on an initial focal length of 28.4 mm. This design is of considerable interest for realization of ultraflat focus-tunable and zoom systems.

  15. Side-gated ultrathin-channel nanopore FET sensors

    International Nuclear Information System (INIS)

    Yanagi, Itaru; Haga, Takanobu; Ando, Masahiko; Yamamoto, Jiro; Mine, Toshiyuki; Ishida, Takeshi; Hatano, Toshiyuki; Akahori, Rena; Yokoi, Takahide; Anazawa, Takashi; Oura, Takeshi

    2016-01-01

    A side-gated, ultrathin-channel nanopore FET (SGNAFET) is proposed for fast and label-free DNA sequencing. The concept of the SGNAFET comprises the detection of changes in the channel current during DNA translocation through a nanopore and identifying the four types of nucleotides as a result of these changes. To achieve this goal, both p- and n-type SGNAFETs with a channel thicknesses of 2 or 4 nm were fabricated, and the stable transistor operation of both SGNAFETs in air, water, and a KCl buffer solution were confirmed. In addition, synchronized current changes were observed between the ionic current through the nanopore and the SGNAFET’s drain current during DNA translocation through the nanopore. (paper)

  16. Ultra-thin films for plasmonics: a technology overview

    DEFF Research Database (Denmark)

    Malureanu, Radu; Lavrinenko, Andrei

    2015-01-01

    Ultra-thin films with low surface roughness that support surface plasmon-polaritons in the infra-red and visible ranges are needed in order to improve the performance of devices based on the manipulation of plasmon propagation. Increasing amount of efforts is made in order not only to improve...... the quality of the deposited layers but also to diminish their thickness and to find new materials that could be used in this field. In this review, we consider various thin films used in the field of plasmonics and metamaterials in the visible and IR range. We focus our presentation on technological issues...... of their deposition and reported characterization of film plasmonic performance....

  17. Spin-Swapping Transport and Torques in Ultrathin Magnetic Bilayers

    KAUST Repository

    Saidaoui, Hamed Ben Mohamed; Manchon, Aurelien

    2016-01-01

    Planar spin transport in disordered ultrathin magnetic bilayers comprising a ferromagnet and a normal metal (typically used for spin pumping, spin Seebeck and spin-orbit torque experiments) is investigated theoretically. Using a tight-binding model that puts the extrinsic spin Hall effect and spin swapping on equal footing, we show that the nature of spin-orbit coupled transport dramatically depends on the ratio between the layer thickness d and the mean free path λ. While the spin Hall effect dominates in the diffusive limit (d≫λ), spin swapping dominates in the Knudsen regime (d≲λ). A remarkable consequence is that spin swapping induces a substantial fieldlike torque in the Knudsen regime.

  18. Spin-Swapping Transport and Torques in Ultrathin Magnetic Bilayers

    KAUST Repository

    Saidaoui, Hamed Ben Mohamed

    2016-07-12

    Planar spin transport in disordered ultrathin magnetic bilayers comprising a ferromagnet and a normal metal (typically used for spin pumping, spin Seebeck and spin-orbit torque experiments) is investigated theoretically. Using a tight-binding model that puts the extrinsic spin Hall effect and spin swapping on equal footing, we show that the nature of spin-orbit coupled transport dramatically depends on the ratio between the layer thickness d and the mean free path λ. While the spin Hall effect dominates in the diffusive limit (d≫λ), spin swapping dominates in the Knudsen regime (d≲λ). A remarkable consequence is that spin swapping induces a substantial fieldlike torque in the Knudsen regime.

  19. Nonideal ultrathin mantle cloak for electrically large conducting cylinders.

    Science.gov (United States)

    Liu, Shuo; Zhang, Hao Chi; Xu, He-Xiu; Cui, Tie Jun

    2014-09-01

    Based on the concept of the scattering cancellation technique, we propose a nonideal ultrathin mantle cloak that can efficiently suppress the total scattering cross sections of an electrically large conducting cylinder (over one free-space wavelength). The cloaking mechanism is investigated in depth based on the Mie scattering theory and is simultaneously interpreted from the perspective of far-field bistatic scattering and near-field distributions. We remark that, unlike the perfect transformation-optics-based cloak, this nonideal cloaking technique is mainly designed to minimize simultaneously several scattering multipoles of a relatively large geometry around considerably broad bandwidth. Numerical simulations and experimental results show that the antiscattering ability of the metasurface gives rise to excellent total scattering reduction of the electrically large cylinder and remarkable electric-field restoration around the cloak. The outstanding cloaking performance together with the good features of and ultralow profile, flexibility, and easy fabrication predict promising applications in the microwave frequencies.

  20. Nucleation of C60 on ultrathin SiO2

    Science.gov (United States)

    Conrad, Brad; Groce, Michelle; Cullen, William; Pimpinelli, Alberto; Williams, Ellen; Einstein, Ted

    2012-02-01

    We utilize scanning tunneling microscopy to characterize the nucleation, growth, and morphology of C60 on ultrathin SiO2 grown at room temperature. C60 thin films are deposited in situ by physical vapor deposition with thicknesses varying from <0.05 to ˜1 ML. Island size and capture zone distributions are examined for a varied flux rate and substrate deposition temperature. The C60 critical nucleus size is observed to change between monomers and dimers non-monotonically from 300 K to 500 K. Results will be discussed in terms of recent capture zone studies and analysis methods. Relation to device fabrication will be discussed. doi:10.1016/j.susc.2011.08.020

  1. Ultrathin polycrystalline 6,13-Bis(triisopropylsilylethynyl)-pentacene films

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Min-Cherl; Zhang, Dongrong; Nikiforov, Gueorgui O.; Lee, Michael V.; Qi, Yabing, E-mail: Yabing.Qi@oist.jp [Energy Materials and Surface Sciences Unit (EMSS), Okinawa Institute of Science and Technology Graduate University (OIST), 1919-1 Tancha, Onna-son, Okinawa 904-0495 (Japan); Joo Shin, Tae; Ahn, Docheon; Lee, Han-Koo; Baik, Jaeyoon; Shin, Hyun-Joon [Pohang Accelerator Laboratory, POSTECH, Pohang 790-784 (Korea, Republic of)

    2015-03-15

    Ultrathin (<6 nm) polycrystalline films of 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-P) are deposited with a two-step spin-coating process. The influence of spin-coating conditions on morphology of the resulting film was examined by atomic force microscopy. Film thickness and RMS surface roughness were in the range of 4.0–6.1 and 0.6–1.1 nm, respectively, except for small holes. Polycrystalline structure was confirmed by grazing incidence x-ray diffraction measurements. Near-edge x-ray absorption fine structure measurements suggested that the plane through aromatic rings of TIPS-P molecules was perpendicular to the substrate surface.

  2. Chain and mirophase-separated structures of ultrathin polyurethane films

    International Nuclear Information System (INIS)

    Kojio, Ken; Yamamoto, Yasunori; Motokucho, Suguru; Furukawa, Mutsuhisa; Uchiba, Yusuke

    2009-01-01

    Measurements are presented how chain and microphase-separated structures of ultrathin polyurethane (PU) films are controlled by the thickness. The film thickness is varied by a solution concentration for spin coating. The systems are PUs prepared from commercial raw materials. Fourier-transform infrared spectroscopic measurement revealed that the degree of hydrogen bonding among hard segment chains decreased and increased with decreasing film thickness for strong and weak microphase separation systems, respectively. The microphase-separated structure, which is formed from hard segment domains and a surrounding soft segment matrix, were observed by atomic force microscopy. The size of hard segment domains decreased with decreasing film thickness, and possibility of specific orientation of the hard segment chains was exhibited for both systems. These results are due to decreasing space for the formation of the microphase-separated structure.

  3. A route to ultrathin quantum gases at polar perovskite heterointerfaces

    KAUST Repository

    Nazir, Safdar

    2012-09-07

    Oxide interfaces are attracting interest in recent years due to special functionalities of two-dimensional quantum gases. However, with typical thicknesses of at least 10-12 Å the gases still extend considerably in the third dimension, which compromises the size of quantum effects. To overcome this limitation, we propose incorporation of highly electronegative cations, such as Ag. By ab initio calculations, we demonstrate the formation of a mobile two-dimensional hole gas in AgNbO 3/SrTiO 3 that is confined to an ultrathin slab of only 5.6 Å thickness. Electronegative cations therefore are a promising way to enhance the quantum nature of hole gases. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Low-reflection beam refractions by ultrathin Huygens metasurface

    International Nuclear Information System (INIS)

    Jia, Sheng Li; Wan, Xiang; Fu, Xiao Jian; Zhao, Yong Jiu; Cui, Tie Jun

    2015-01-01

    We propose a Huygens source unit cell to develop an ultrathin low-reflection metasurface, which could provide extreme controls of phases of the transmitted waves. Both electric and magnetic currents are supported by the proposed unit cell, thus leading to highly efficient and full controls of phases. The coupling between electric and magnetic responses is negligible, which will significantly reduce the difficulty of design. Since the unit cell of metasurface is printed on two bonded boards, the fabrication process is simplified and the thickness of metasurface is reduced. Based on the proposed unit cell, a beam-refracting metasurface with low-reflection is designed and manufactured. Both near-field and far-field characteristics of the beam-refracting metasurface are investigated by simulations and measurements, which indicate that the proposed Huygens metasurface performs well in controlling electromagnetic waves

  5. Dissolvable Films of Silk Fibroin for Ultrathin Conformal Bio-Integrated Electronics

    Science.gov (United States)

    2010-06-01

    implantation. *A full list of authors and their affiliations appears at the end of the paper. Silk is an appealing biopolymer as a temporary, soluble...18 APR 2010 2. REPORT TYPE 3. DATES COVERED 00-00-2010 to 00-00-2010 4. TITLE AND SUBTITLE Dissolvable films of silk fibroin for ultrathin...10.1038/NMAT2745 Dissolvable films of silk fibroin for ultrathin conformal bio-integrated electronics Dae-Hyeong Kim and Jonathan Viventi et al

  6. Ultrathin and Nanostructured Au Films with Gradient of Effective Thickness. Optical and Plasmonic Properties

    International Nuclear Information System (INIS)

    Tomilin, S V; Berzhansky, V N; Shaposhnikov, A N; Prokopov, A R; Milyukova, E T; Karavaynikov, A V; Tomilina, O A

    2016-01-01

    In present work the results of investigation of optical (transmission spectra) and plasmonic (surface plasmon-polariton resonance) properties of ultrathin and nanostructured Au films are presents. Methods and techniques for the syntheses of samples of ultrathin and nanostructured metallic films, and for the experimental studies of optical and plasmonic properties are representative. Au films on SiO 2 (optic glass) substrates were investigated. (paper)

  7. The effect of Mn and B on the magnetic and structural properties of nanostructured Fe60Al40 alloys produced by mechanical alloying.

    Science.gov (United States)

    Rico, M M; Alcázar, G A Pérez; Zamora, L E; González, C; Greneche, J M

    2008-06-01

    The effect of Mn and B on the magnetic and structural properties of nanostructured samples of the Fe60Al40 system, prepared by mechanical alloying, was studied by 57Fe Mössbauer spectrometry, X-ray diffraction and magnetic measurements. In the case of the Fe(60-x)Mn(x)Al40 system, 24 h milling time is required to achieve the BCC ternary phase. Different magnetic structures are observed according to the temperature and the Mn content for alloys milled during 48 h: ferromagnetic, antiferromagnetic, spin-glass, reentrant spin-glass and superparamagnetic behavior. They result from the bond randomness behaviour induced by the atomic disorder introduced by the MA process and from the competitive interactions of the Fe-Fe ferromagnetic interactions and the Mn-Mn and Fe-Mn antiferromagnetic interactions and finally the presence of Al atoms acting as dilutors. When B is added in the Fe60Al40 alloy and milled for 12 and 24 hours, two crystalline phases were found: a prevailing FeAl BCC phase and a Fe2B phase type. In addition, one observes an additional contribution attributed to grain boundaries which increases when both milling time and boron composition increase. Finally Mn and B were added to samples of the Fe60Al40 system prepared by mechanical alloying during 12 and 24 hours. Mn content was fixed to 10 at.% and B content varied between 0 and 20 at.%, substituting Al. X-ray patterns show two crystalline phases, the ternary FeMnAl BCC phase, and a (Fe,Mn)2B phase type. The relative proportion of the last phase increases when the B content increases, in addition to changes of the grain size and the lattice parameter. Such behavior was observed for both milling periods. On the other hand, the magnetic hyperfine field distributions show that both phases exhibit chemical disorder, and that the contribution attributed to the grain boundaries is less important when the B content increases. Coercive field values of about 10(2) Oe slightly increase with boron content

  8. Dynamics of the HCP/BCC phase transition and of the diffusion in zirconium: a model based on a tight-binding potential

    International Nuclear Information System (INIS)

    Willaime, F.

    1991-09-01

    We have developed an N-body interatomic potential, based on the second moment approximation of the tight-binding scheme, by fitting its four adjustable parameters to the cohesive energy, atomic volume, and elastic constants of hcp-Zr. We then showed that various properties of this potential compare favorably with those of zirconium in both the low temperatures hcp phase and the high temperature bcc phase. Such is the case in particular for the elastic constants, the phonon dispersion curves, the thermal expansion, and the melting temperature. We reproduced by molecular dynamics (MD) simulations on this potential the hcp/bcc phase transformation in both ways. It indeed occurs following the mechanism predicted by Burgers. We find a vibrational entropy of transformation equal to 0.13 k B . Our calculations suggest that in real zirconium the electronic contribution to the transformation entropy is important. We show that some interatomic potential lead to a higher value of the vibrational entropy in the hcp phase than in the bcc phase. We specified the dynamics of the vacancy migration in the bcc phase. The atomic jumps are almost exclusively nearest neighbour ones. The walk of the vacancy becomes strongly correlated at high temperatures. The vacancy jump frequency is very large and has a perfectly arrhenian behaviour. There is no evicence of a dynamical lowering of the vacancy migration barrier: the static and dynamic values of the vacancy migration energy are almost equal, both being unusually small (0.3 eV). The self diffusion coefficent of our model for the vacancy mechanism reproduces an anomalous fast diffusion close to that measured experimentally in bcc-Zr. In our model at high temperatures the time interval between successive jumps is almost equal to the time of flight. The migration events will therefore influence the formation of the vacancies [fr

  9. Crystalline-to-amorphous phase transformation in mechanically alloyed Fe50W50 powders

    International Nuclear Information System (INIS)

    Sherif El-Eskandarany, M.S.; Sumiyama, K.; Suzuki, K.

    1997-01-01

    A mechanical alloying process via a ball milling technique has been applied for preparing amorphous Fe 50 W 50 alloy powders. The results have shown that during the first and second stages of milling (0 to 360 ks) W atoms emigrate to Fe lattices to form nanocrystalline b.c.c. Fe-W solid solution, with a grain size of about 7 nm in diameter. After 720 ks of the milling time, this solid solution was transformed to an amorphous Fe-W alloy coexisting with the residual fraction of the unprocessed W powders. During the last stage of milling (720 to 1,440 ks) all of this residual W powder reacts with the amorphous phase to form a homogeneous Fe 50 W 50 amorphous alloy. The crystallization temperature and the enthalpy change of crystallization of amorphous Fe 50 W 50 powders milled for 1,440 ks were measured to be 860 K and -9kJ/mol, respectively. The amorphous Fe 50 W 50 powder produced is almost paramagnetic at room temperature. The powder comprises homogeneous and smooth spheres with an average size of about 0.5 microm in diameter

  10. Evaluation of mechanical properties of nanocrystalline Ti-Mo-Fe-Sn alloys system; Avaliacao de propriedades mecanicas de ligas nanocristalinas do sistema Ti-Mo-Fe-Sn

    Energy Technology Data Exchange (ETDEWEB)

    Rocha, M.O.A; Vidilli, A.L.; Afonso, C.R.M., E-mail: andre.vidilli@gmail.com [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil)

    2014-07-01

    The Ti-6Al-4V, widely used in biomaterials, exhibits elastic modulus (E) of approximately 110GPa, which is significantly higher than the one of human bone (E = 10 to 30 GPa). In this project, a process of rapid solidification was utilized in 4 different alloys of Ti-Mo-Fe-Sn, in order to produce ultrafine nanocrystalline eutectic alloys, which present high strength (1800-2500 MPa), low elastic modulus (50-110 GPa) and good corrosion resistance. The alloys Ti{sub 62}Fe{sub 30}Mo{sub 8}, Ti{sub 56}Fe{sub 30}Mo{sub 8}Sn{sub 6}, Ti{sub 63}Fe{sub 23}Mo{sub 8}Sn{sub 6}, Ti{sub 60}Fe{sub 23}Mo{sub 8}Sn{sub 9} show Vickers microhardness de, respectively, 745 (1mm), 733 (1mm), 609 (1mm) e 651(1mm) HV. The characterization was performed using scanning electron microscopy (SEM) and X- ray diffraction (XRD). The results indicated the presence of a β-Ti (bcc) matrix and the intermetallic TiFe and Ti{sub 3}Sn phases, and the microstructure were formed by dendrites, and eutectic constituents, which were present in the compositions Ti{sub 62}Fe{sub 30}Mo{sub 8}, Ti{sub 56}Fe{sub 30}Mo{sub 8}Sn{sub 6}, Ti{sub 63}Fe{sub 23}Mo{sub 8}Sn{sub 6}, Ti{sub 60}Fe{sub 23}Mo{sub 8}Sn{sub 9}. (author)

  11. Comparative study of radiation damage accumulation in Cu and Fe

    International Nuclear Information System (INIS)

    Caturla, M.J.; Soneda, N.; Alonso, E.; Wirth, B.D.; Diaz de la Rubia, T.; Perlado, J.M.

    2000-01-01

    Bcc and fcc metals exhibit significant differences in behavior when exposed to neutron or heavy ion irradiation. Transmission electron microscopy (TEM) observations reveal that damage in the form of stacking fault tetrahedra (SFT) is visible in copper irradiated to very low doses, but that no damage is visible in iron irradiated to the same total dose. In order to understand and quantify this difference in behavior, we have simulated damage production and accumulation in fcc Cu and bcc Fe. We use 20 keV primary knock-on atoms (PKAs) at a homologous temperature of 0.25 of the melting point. The primary damage state was calculated using molecular dynamics (MD) with empirical, embedded-atom interatomic potentials. Damage accumulation was modeled using a kinetic Monte Carlo (kMC) algorithm to follow the evolution of all defects produced in the cascades. The diffusivities and binding energies of defects are input data for this simulation and were either extracted from experiments, the literature, or calculated using MD. MD simulations reveal that vacancy clusters are produced within the cascade core in the case of copper. In iron, most of the vacancies do not cluster during cooling of the cascade core and are available for diffusion. In addition, self-interstitial atom (SIA) clusters are produced in copper cascades but those observed in iron are smaller in number and size. The combined MD/kMC simulations reveal that the visible cluster densities obtained as a function of dose are at least one order of magnitude lower in Fe than in Cu. We compare the results with experimental measurements of cluster density and find excellent agreement between the simulations and experiments when small interstitial clusters are considered to be mobile as suggested by recent MD simulations

  12. Effect of cooling rate on the phase structure and magnetic properties of Fe{sub 26.7}Co{sub 28.5}Ni{sub 28.5}Si{sub 4.6}B{sub 8.7}P{sub 3} high entropy alloy

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Ran; Sun, Huan; Chen, Chen [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Han, Zhenhua [School of Materials Science and Engineering, Xi’an University of Technology, Xi’an 710068 (China); Li, Fushan, E-mail: fsli@zzu.edu.cn [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China)

    2017-08-01

    Highlights: • High entropy alloy with amorphous phase and FCC solid solution phase are successfully developed respectively. • The amorphous phase exhibits better soft magnetic properties than that of the solid solution phase. • The BCC phase transformed into FCC phase, and then into BCC phase was found in this HEA. - Abstract: The effect of cooling rate on phase structure and magnetic properties of the Fe{sub 26.7}Co{sub 28.5}Ni{sub 28.5}Si{sub 4.6}B{sub 8.7}P{sub 3} high entropy alloy (HEA) was investigated. The HEA forms into amorphous phase by melt spinning method at high cooling rate and FCC solid solution phase at low cooling rate. The soft magnetic properties of the amorphous phase (saturation magnetization B{sub s} of 1.07T and coercivity H{sub c} of 4 A/m) are better than that of the solid solution phase (B{sub s} of 1.0 T and H{sub c} of 168 A/m). In order to study the phase evolution of the present HEA, anneal experiments were conducted. It is found that crystallization products of amorphous phase are solid solution phase which constitute much of FCC and a small amount of BCC. BCC phase transforms into FCC phase, and then into BCC phase with the increase of annealing temperature.

  13. Multifunctional Fe3O4/Au core/satellite nanocubes: an efficient chemical synthesis, characterization and functionalization of streptavidin protein.

    Science.gov (United States)

    Abbas, Mohamed; RamuluTorati, Sri; Kim, CheolGi

    2017-02-14

    A novel and efficient chemical approach for the synthesis of Fe 3 O 4 /Au core/satellite nanocubes is reported. In a one-pot reaction, metallic Au nanodots were successfully deposited on the polyvinylpyrrolidone (PVP) functionalized Fe 3 O 4 nanocube surface for the fabrication of a core/satellite structure (Fe 3 O 4 /Au) by the reduction of HAuCl 4 using ammonia. Transmission electron microscopy and energy dispersive spectroscopy mapping revealed that small Au nanodots of about 2 nm average size decorated the surface of Fe 3 O 4 nanocubes. X-ray diffraction data was used to confirm the formation of both the phases of a cubic inverse spinel structure for Fe 3 O 4 and a bcc structure for Au in the core/satellite structure of Fe 3 O 4 /Au nanocubes. The magnetic properties of the seed Fe 3 O 4 nanocubes and Fe 3 O 4 /Au core/satellite nanocubes were measured by using a superconducting quantum interference device at 300 K. For biological application purposes, the as-synthesized Fe 3 O 4 /Au core/satellite nanocubes were functionalized by cysteamine followed by successful immobilization of streptavidin protein as confirmed through the fluorescence confocal microscopy images.

  14. A Mössbauer and magnetic study of ball milled Fe-doped ZnO Powders

    Energy Technology Data Exchange (ETDEWEB)

    Zamora, Ligia E., E-mail: ligia.zamora@correounivalle.edu.co; Paz, J. C.; Piamba, J. F.; Tabares, J. A.; Alcázar, G. A. Pérez [Universidad del Valle, Departamento de física (Colombia)

    2015-06-15

    The structural and magnetic properties of Fe-doped ZnO are reported in this study, as obtained by mechanical alloying from elemental powders of ZnO and Fe. The properties of Zn{sub 0.90}Fe{sub 0.10}O samples alloying while varying the milling time (6, 12, 24 and 36 h) are also reported. The Rietveld refinement of X-ray Diffraction (XRD) patterns revealed that the system presents two structures: the würtzite structure of ZnO and the bcc structure of α-Fe. The Mössbauer spectra show that the samples present three components: a ferromagnetic component, associated with the Fe phase and two paramagnetic components, associated with the Fe atoms, which penetrate inside the ZnO matrix behaving as Fe{sup 3+} and Fe{sup 2+}. The milling time contributes to an increase in the paramagnetic sites, and a solubility limit of the Fe atoms in the ZnO lattice was detected. The VSM measurements at room temperature detected ferromagnetic behavior with a saturation magnetization of 11 emu/g and a coercive field of 330 Oe for the sample alloyed over 24 h. A similar behavior was shown by the other samples.

  15. Converting hcp Mg-Al-Zn alloy into bcc Mg-Li-Al-Zn alloy by electrolytic deposition and diffusion of reduced lithium atoms in a molten salt electrolyte LiCl-KCl

    International Nuclear Information System (INIS)

    Lin, M.C.; Tsai, C.Y.; Uan, J.Y.

    2007-01-01

    A body-centered cubic (bcc) Mg-12Li-9Al-1Zn (wt.%) alloy was fabricated in air by electrolysis from LiCl-KCl molten salt at 500 deg. C. Electrolytic deposition of Li atoms on cathode (Mg-Al-Zn alloy) and diffusion of the Li atoms formed the bcc Mg-Li-Al-Zn alloy with 12 wt.% Li and only 0.264 wt.% K. Low K concentration in the bcc Mg alloy strip after the electrolysis process resulted from 47% atomic size misfit between K and Mg atoms and low solubility of K in Mg matrix

  16. Microstructure, thermophysical and electrical properties in AlxCoCrFeNi (0 ≤ x ≤2) high-entropy alloys

    International Nuclear Information System (INIS)

    Chou, H.-P.; Chang, Y.-S.; Chen, S.-K.; Yeh, J.-W.

    2009-01-01

    Al x CoCrFeNi (0 ≤ x ≤2) alloys were prepared by an arc remelter and investigated. With increasing x, the Al x CoCrFeNi alloys change from single FCC phase to single BCC phase with a transition duplex FCC/BCC region. The weak X-ray diffraction intensities indicate severe X-ray scattering effect of lattice in these high-entropy alloys. Electrical conductivity and thermal conductivity much smaller than those of pure component metals is ascribed as due to this lattice effect. The behavior of electrical conductivity and thermal conductivity can be divided into three parts according to microstructure. Both values of electrical conductivity and thermal conductivity decrease with increasing x in single-phase regions. Values of electrical conductivity and thermal conductivity are even higher than those in the duplex phase region because of the additional scattering effect of FCC/BCC phase boundaries in the alloys. Relative contribution of electron and phonon to electrical resistivity and thermal conductivity is evaluated in this study. It is shown that both electron and phonon components are comparable in these high-entropy alloys, and their transport properties are similar to that of semi-metal.

  17. The strength limits of ultra-thin copper films

    Energy Technology Data Exchange (ETDEWEB)

    Wiederhirn, Guillaume

    2007-07-02

    Elucidating size effects in ultra-thin films is essential to ensure the performance and reliability of MEMS and electronic devices. In this dissertation, the influence of a capping layer on the mechanical behavior of copper (Cu) films was analyzed. Passivation is expected to shut down surface diffusion and thus to alter the contributions of dislocation- and diffusion-based plasticity in thin films. Experiments were carried out on 25 nm to 2 {mu}m thick Cu films magnetron-sputtered onto amorphous-silicon nitride coated silicon (111) substrates. These films were capped with 10 nm of aluminum oxide or silicon nitride passivation without breaking vacuum either directly after Cu deposition or after a 500 C anneal. The evolution of thermal stresses in these films was investigated mainly by the substrate curvature method between -160 C and 500 C. Negligible differences were detected for the silicon nitride vs. the aluminum oxide passivated Cu films. The processing parameters associated with the passivation deposition also had no noticeable effect on the stress-temperature behavior of the Cu. However, the thermomechanical behavior of passivated Cu films strongly depended on the Cu film thickness. For films in the micrometer range, the influence of the passivation layer was not significant, which suggests that the Cu deformed mainly by dislocation plasticity. However, diffusional creep plays an increasing role with decreasing film thickness since it becomes increasingly difficult to nucleate dislocations in smaller grains. Size effects were investigated by plotting the stress at room temperature after thermal cycling as a function of the inverse film thickness. Between 2 {mu}m and 200 nm, the room temperature stress was inversely proportional to the film thickness. The passivation exerted a strong effect on Cu films thinner than 100 nm by effectively shutting down surface diffusion mechanisms. Since dislocation processes were also shut off in these ultra-thin films, they

  18. Ultra-Thin Solid-State Nanopores: Fabrication and Applications

    Science.gov (United States)

    Kuan, Aaron Tzeyang

    Solid-state nanopores are a nanofluidic platform with unique advantages for single-molecule analysis and filtration applications. However, significant improvements in device performance and scalable fabrication methods are needed to make nanopore devices competitive with existing technologies. This dissertation investigates the potential advantages of ultra-thin nanopores in which the thickness of the membrane is significantly smaller than the nanopore diameter. Novel, scalable fabrication methods were first developed and then utilized to examine device performance for water filtration and single molecule sensing applications. Fabrication of nanometer-thin pores in silicon nitride membranes was achieved using a feedback-controlled ion beam method in which ion sputtering is arrested upon detection of the first few ions that drill through the membrane. Performing fabrication at liquid nitrogen temperatures prevents surface atom rearrangements that have previously complicated similar processes. A novel cross-sectional imaging method was also developed to allow careful examination of the full nanopore geometry. Atomically-thin graphene nanopores were fabricated via an electrical pulse method in which sub-microsecond electrical pulses applied across a graphene membrane in electrolyte solution are used to create a defect in the membrane and controllably enlarge it into a nanopore. This method dramatically increases the accuracy and reliability of graphene nanopore production, allowing consistent production of single nanopores down to subnanometer sizes. In filtration applications in which nanopores are used to selectively restrict the passage of dissolved contaminants, ultra-thin nanopores minimize the flow resistance, increasing throughput and energy-efficiency. The ability of graphene nanopores to separate different ions was characterized via ionic conductance and reversal potential measurements. Graphene nanopores were observed to conduct cations preferentially over

  19. Structure, magnetism, and interface properties of epitactical thin Fe and FePt films on GaAs(001) substrates; Struktur, Magnetismus und Grenzflaecheneigenschaften epitaktischer duenner Fe- und FePt-Filme auf GaAs(001)-Substraten

    Energy Technology Data Exchange (ETDEWEB)

    Schuster, Ellen Ursula

    2007-12-17

    The research in this thesis is focused on the study of the Fe spin structure and interface magnetism of thin epitaxial Fe layers or epitaxial FePt alloy films with chemical L1{sub 0} order on GaAs(001) surfaces. The main method of investigation was isotope-specific conversion electron Moessbauer spectroscopy (CEMS) combined with the {sup 57}Fe probe-layer technique in the temperature range of 4.2-300 K. The film structure was studied using electron diffraction (RHEED) and X-ray diffraction (XRD). The chemical order parameter S determined by XRD was found to increase with rising growth temperature, T{sub S}, to a maximum value of 0.71, until long range order is destroyed at T{sub S}>350 C by alloying with the substrate. As an important result a linear correlation between short-range order (revealed by the relative spectral area of the L1{sub 0} phase) and long-range order S was observed. The observed perpendicular Fe spin texture, characterized by the mean tilting angle left angle {theta} right angle of the Fe spins (relative to the film normal direction), was found to correlate with the L1{sub 0} phase content and with S. Furthermore, epitaxial Fe(001) films on GaAs(001)-(4 x 6) and on GaAs(001)-LED surfaces were grown successfully. In the initial stage of Fe film growth non-monotonous behavior of the in-plane lattice parameter was observed by RHEED. The magnetic hyperfine field distributions P(B{sub hf}) at the Fe/GaAs interface extracted from CEMS spectra for T{sub S}=-140 C or room temperature (RT) were found to be very similar. The observed large mean hyperfine fields of left angle B{sub hf} right angle {approx}25-27 T at the interface indicate the presence of high average Fe moments of 1.7-1.8 {mu}{sub B}. Nonmagnetic interface layers either can be excluded (Fe/GaAs) or are very thin (0.5 ML,Fe/GaAs-LED). Owing to its island structure an ultrathin (1.9 ML thick) uncoated Fe(001) film on GaAs(001)-(4 x 6) shows superparamagnetism with a blocking temperature of

  20. Multi-band tight-binding calculation of electronic transport in Fe/trans-polyacetylene/Fe tunnel junctions

    International Nuclear Information System (INIS)

    Abedi Ravan, B

    2012-01-01

    In this paper, the electronic transport characteristics of Fe/trans-polyacetylene/Fe magnetic tunnel junctions (MTJs) are investigated using multi-band tight-binding calculations within the framework of nonequilibrium Green function theory. A CH 2 radical is added to different positions on the polymer chain and its effects on the tunnelling magnetoresistance of the MTJ are studied. The ferromagnetic electrodes are assumed to be single-band and their tight-binding parameters are chosen in such a way as to simulate the ab initio density functional calculations of the band structure of bcc-Fe along its [001] crystallographic direction. In building the Hamiltonian of the trans-polyacetylene (t-PA) chain, we have assumed an s orbital on the H atoms and one s and three p(p x ,p y ,p z ) orbitals on the C atoms, and the dimerization effects are taken into account. It is found that moving the radical out of the centre of the polymer chain enhances the tunnelling magnetoresistance of the MTJ.

  1. Tensile ductility of an AlCoCrFeNi multi-phase high-entropy alloy through hot isostatic pressing (HIP) and homogenization

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhi, E-mail: Zhi.Tang@alcoa.com [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Department of Materials Science and Engineering, Virginia Tech, Blacksburg, VA 24061 (United States); Senkov, Oleg N. [Air Force Research Laboratory, Materials and Manufacturing Directorate, Wright-Patterson Air Force Base, OH 45433 (United States); Parish, Chad M. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Zhang, Chuan; Zhang, Fan [CompuTherm LLC, 437 S. Yellowstone Dr., Suite 217, Madison, WI 53719 (United States); Santodonato, Louis J. [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Wang, Gongyao [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Zhao, Guangfeng; Yang, Fuqian [Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY 40506 (United States); Liaw, Peter K., E-mail: pliaw@utk.edu [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States)

    2015-10-28

    The microstructure and phase composition of an AlCoCrFeNi high-entropy alloy (HEA) were studied in as-cast (AlCoCrFeNi-AC, AC represents as-cast) and homogenized (AlCoCrFeNi-HP, HP signifies hot isostatic pressed and homogenized) conditions. The AlCoCrFeNi-AC ally has a dendritric structure in the consisting primarily of a nano-lamellar mixture of A2 (disordered body-centered-cubic (BCC)) and B2 (ordered BCC) phases, formed by an eutectic reaction. The homogenization heat treatment, consisting of hot isostatic pressed for 1 h at 1100 °C, 207 MPa and annealing at 1150 °C for 50 h, resulted in an increase in the volume fraction of the A1 phase and formation of a Sigma (σ) phase. Tensile properties in as-cast and homogenized conditions are reported at 700 °C. The ultimate tensile strength was virtually unaffected by heat treatment, and was 396±4 MPa at 700 °C. However, homogenization produced a noticeable increase in ductility. The AlCoCrFeNi-AC alloy showed a tensile elongation of only 1.0%, while after the heat-treatment, the elongation of AlCoCrFeNi-HP was 11.7%. Thermodynamic modeling of non-equilibrium and equilibrium phase diagrams for the AlCoCrFeNi HEA gave good agreement with the experimental observations of the phase contents in the AlCoCrFeNi-AC and AlCoCrFeNi-HP. The reasons for the improvement of ductility after the heat treatment and the crack initiation subjected to tensile loading were discussed.

  2. Investigation on the formation of Cu-Fe nano crystalline super-saturated solid solution developed by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Mojtahedi, M., E-mail: m.mojtahedi@gmail.com [School of Materials Science and Engineering, Iran University of Science and Technology, Narmak, Tehran 16846-13114 (Iran, Islamic Republic of); Goodarzi, M.; Aboutalebi, M.R. [School of Materials Science and Engineering, Iran University of Science and Technology, Narmak, Tehran 16846-13114 (Iran, Islamic Republic of); Ghaffari, M. [Department of Electrical and Electronics Engineering, UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800 (Turkey); Soleimanian, V. [Department of Physics, Faculty of Science, Shahrekord University, P.O. Box 115, Shahrekord (Iran, Islamic Republic of)

    2013-02-15

    Highlights: Black-Right-Pointing-Pointer The deformation of the mechanically alloyed Cu-Fe powder is anisotropic. Black-Right-Pointing-Pointer The Rietveld method is more proper and results in smaller crystallite size than the Scherer and Williamson-Hall methods. Black-Right-Pointing-Pointer A dual phase super saturated solid solution achieved after 96 h of milling of the mixtures with 30, 50 and 70 wt.% of Iron. Black-Right-Pointing-Pointer A final proportion of approximately 85% FCC and 15% BCC structure obtained in all of the applied compositions. - Abstract: In this study, the formation of super saturated solid solution in the binary Cu-Fe system was investigated. Three powder blends with 30, 50 and 70 wt.% of Fe were milled for different times to 96 h. The variations of lattice parameter and inter-planar spacing were calculated and analyzed using X-ray diffraction analysis (XDA). The anisotropy of lattice deformation in the FCC phase was studied and the obtained results were compared to milled pure Cu powder. Furthermore, crystallite size was calculated using Scherer formula in comparison with Rietveld full profile refinement method. Considering the previous studies about the formation of non-equilibrium FCC and BCC phases, the phase evolution has been discussed and the proportion of each phase was calculated using Rietveld refinement method. Supplementary studies on the evolution of microstructure and formation of solid solution were carried out using high resolution transmission electron microscopy (HRTEM). Finally, high angle annular dark field (HAADF) imaging was utilized to find out the level of homogeneity in the resulting phases. While true alloying takes place in each phase, the final structure consists of both FCC and BCC nano-crystallites.

  3. Structural properties and stability of the bcc and omega phases in the Zr-Nb system. Pt. II. Composition dependence of the lattice parameters

    International Nuclear Information System (INIS)

    Grad, G.B.; Guillermet, A.F.; Pieres, J.J.; Cuello, G.J.; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires; Universidad Nacional del Comahue

    1996-01-01

    For pt.I see Guillermet, A.F., J. Nucl. Mater., vol.218, p.236-46, 1995. This paper deals with the composition dependence of the lattice parameters of the bcc and omega phases of the Zr-Nb system. The experimental part of the work comprises neutron scattering experiments on a Zr-10 at.% Nb alloy in the as-quenched state and after successive aging treatments at 773 K. This new information is combined with an extensive review of the available data, and a detailed analysis is performed of the effects of composition and heat-treatment upon the lattice parameters a Ω and c Ω of the omega phase and the lattice-parameter relations between bcc and omega. A striking behaviour is detected in the variation of a Ω with composition in low-Nb alloys. (orig.)

  4. Effects of the sp element additions on the microstructure and mechanical properties of NiCoFeCr based high entropy alloys

    International Nuclear Information System (INIS)

    Vida, Adam; Varga, Lajos K.; Chinh, Nguyen Quang; Molnar, David; Huang, Shuo; Vitos, Levente

    2016-01-01

    The effects of the sp (Al, Ga, Ge, Sn) element additions on the microstructure and mechanical properties of equimolar NiCoFeCr High Entropy Alloys (HEAs) are investigated. The results of X-ray diffraction measurements combined with scanning electron microscopy SEM investigations, as well as the results of nanoindentation test revealed that while the structure of the basic alloy is full FCC, the addition of sp elements has changed it to a multiphase containing both FCC and BCC components, but in different scales. Accordingly, the addition of sp elements strongly increases the strength of the basic state, especially in the case of alloys where the BCC phase is dominant in the microstructure. The physical properties as the Young’s- and shear moduli of the investigated HEAs were also determined using ultrasound methods. The correlation between these two moduli suggests a general relationship for metallic alloys.

  5. Neutron and PIMC determination of the longitudinal momentum distribution of HCP, BCC and normal liquid 4He

    International Nuclear Information System (INIS)

    Blasdell, R.C.; Ceperley, D.M.; Simmons, R.O.

    1993-07-01

    Deep inelastic neutron scattering has been used to measure the neutron Compton profile (NCP) of a series of condensed 4 He samples at densities from 28.8 atoms/nm 3 (essentially the minimum possible density in the solid phase) up to 39.8 atoms/nm 3 using a chopper spectrometer at the Argonne National Laboratory Intense Pulsed Neutron Source. At the lowest density, the NCP was measured along an isochore through the hcp, bcc, and normal liquid phases. Average atomic kinetic energies are extracted from each of the data sets and are compared to both published and new path integral Monte-Carlo (PIMC) calculations as well as other theoretical predictions. In this preliminary analysis of the data, account is taken of the effects of instrumental resolution, multiple scattering, and final-state interactions. Both our measurements and the PIMC theory show that there are only small differences in the kinetic energy and longitudinal momentum distribution of isochoric helium samples, regardless of their phase or crystal structure

  6. Atomistic simulations of screw dislocations in bcc tungsten: From core structures and static properties to interaction with vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Ke [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Niu, Liang-Liang [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Department of Nuclear Engineering and Radiological Science, University of Michigan, Ann Arbor, MI 48109 (United States); Jin, Shuo, E-mail: jinshuo@buaa.edu.cn [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Shu, Xiaolin [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Xie, Hongxian [School of Mechanical Engineering, Hebei University of Technology, Tianjin 300132 (China); Wang, Lifang; Lu, Guang-Hong [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China)

    2017-02-15

    Atomistic simulations have been used to investigate the core structures, static properties of isolated 1/2 <1 1 1> screw dislocations, and their interaction with vacancies in bcc tungsten (W) based on three empirical interatomic potentials. Differential displacement maps show that only one embedded atom method potential is able to reproduce the compact non-degenerate core as evidenced by ab initio calculations. The obtained strain energy and stress distribution from atomistic simulations are, in general, consistent with elasticity theory predictions. In particular, one component of the calculated shear stress, which is not present according to elasticity theory, is non-negligible in the core region of our dislocation model. The differences between the results calculated from three interatomic potentials are in details, such as the specific value and the symmetry, but the trend of spatial distributions of static properties in the long range are close to each other. By calculating the binding energies between the dislocations and vacancies, we demonstrate that the dislocations act as vacancy sinks, which may be important for the nucleation and growth of hydrogen bubbles in W under irradiation.

  7. Differentiation of Leishmania (Viannia) panamensis and Leishmania (V.) guyanensis using BccI for hsp70 PCR-RFLP.

    Science.gov (United States)

    Montalvo Alvarez, Ana Margarita; Nodarse, Jorge Fraga; Goodridge, Ivón Montano; Fidalgo, Lianet Monzote; Marin, Marcel; Van Der Auwera, Gert; Dujardin, Jean-Claude; Bernal, Iván Darío Velez; Muskus, Carlos

    2010-05-01

    Leishmania panamensis and Leishmania guyanensis are two species of the subgenus Viannia that are genetically very similar. Both parasites are usually associated with cutaneous leishmaniasis, but also have the potential to cause the mucocutaneous form of the disease. In addition, the study of foci and consequently the identification of vectors and probable reservoirs involved in transmission require a correct differentiation between both species, which is important at epidemiological level. We explored the possibility of identifying these species by using restriction fragment length polymorphisms (RFLP) in the gene coding for heat-shock protein 70 (hsp70). Previously, an hsp70 PCR-RFLP assay proved to be very effective in differentiating other Leishmania species when HaeIII is used as restriction enzyme. Based on hsp70 sequences analysis, BccI was found to generate species-specific fragments that can easily be recognized by agarose gel electrophoresis. Using the analysis of biopsies, scrapings, and parasite isolates previously grouped in a cluster comprising both L. panamensis and L. guyanensis, we showed that our approach allowed differentiation of both entities. This offers the possibility not only for identification of parasites in biological samples, but also to apply molecular epidemiology in certain countries of the New World, where several Leishmania species could coexist. Copyright 2009 Royal Society of Tropical Medicine and Hygiene. Published by Elsevier Ltd. All rights reserved.

  8. Comparison between radiation effects in some fcc and bcc metals irradiated with energetic heavy ions - a review

    International Nuclear Information System (INIS)

    Iwase, A.; Ishino, S.

    2000-01-01

    It has been reported that there are substantial differences in radiation effects in fcc copper and bcc iron. Whether these differences are due to the difference in crystal structure or not is the subject of the present paper. These differences have been discussed in terms of microstructure and mechanical property changes, whereas in the present paper, results of electrical resistivity measurements are discussed in terms of damage production cross sections, defect annihilation cross sections, damage efficiency and so on during and after various ion irradiations with wide energy ranges from 1 MeV to more than 100 MeV. For crucial discussion on the effect of the difference in crystal structure, nickel and iron are compared. These metals are allotted closely in the periodic table, with similar melting points and fairly strong electron-lattice coupling, both ferromagnetic and yet with different crystal structure. It may be concluded that as far as the damage production and defect annihilation cross sections and survival ratio are concerned, the difference in crystal structure is not an essential factor. Electronic energy deposition may play an important role even for low energy ions as well as for high energies. The effect of electronic energy deposition on defect clustering is discussed

  9. Grain size engineering of bcc refractory metals: Top-down and bottom-up-Application to tungsten

    International Nuclear Information System (INIS)

    Kecskes, L.J.; Cho, K.C.; Dowding, R.J.; Schuster, B.E.; Valiev, R.Z.; Wei, Q.

    2007-01-01

    We have used two general methodologies for the production of ultrafine grained (UFG) and nanocrystalline (NC) tungsten (W) metal samples: top-down and bottom-up. In the first, Equal channel angular extrusion (ECAE), coupled with warm rolling has been used to fabricate UFG W, and high pressure torsion (HPT) was used to fabricate NC W. We demonstrate an abrupt shift in the deformation mechanism, particularly under dynamic compressive loading, in UFG and NC W. This novel deformation mechanism, a dramatic transition from a uniform deformation mode to that of localized shearing, is shared by other UFG and NC body-centerd cubic (BCC) metals. We have also conducted a series of bottom-up experiments to consolidate powdered UFG W precursors into solid bodies. The bottom-up approach relies on rapid, high-temperature consolidation, specifically designed for UFG and NC W powders. The mechanical property results from the top-down UFG and NC W were used as minimum property benchmarks to guide and design the experimental protocols and parameters for use in the bottom-up procedures. Preliminary results, showing rapid grain growth during the consolidation cycle, did not achieve full density in the W samples. Further development of high-purity W nanopowders and appropriate grain-growth inhibitors (e.g., Zener pinning) will be required to successfully produce bulk-sized UFG and NC W samples

  10. An MD simulation of interactions between self-interstitial atoms and edge dislocation in bcc transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Kamiyama, H. (Aomori Public College, 153-4 Yamazaki, Goushi-zawa, Aomori 030-01 (Japan)); Rafii-Tabar, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Kawazoe, Y. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Matsui, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan))

    1994-09-01

    According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))

  11. An MD simulation of interactions between self-interstitial atoms and edge dislocation in bcc transition metals

    International Nuclear Information System (INIS)

    Kamiyama, H.; Rafii-Tabar, H.; Kawazoe, Y.; Matsui, H.

    1994-01-01

    According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers ''below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))

  12. Synthesis of hexagonal ultrathin tungsten oxide nanowires with diameters below 5 nm for enhanced photocatalytic performance

    Science.gov (United States)

    Lu, Huidan; Zhu, Qin; Zhang, Mengying; Yan, Yi; Liu, Yongping; Li, Ming; Yang, Zhishu; Geng, Peng

    2018-04-01

    Semiconductor with one dimension (1D) ultrathin nanostructure has been proved to be a promising nanomaterial in photocatalytic field. Great efforts were made on preparation of monoclinic ultrathin tungsten oxide nanowires. However, non-monoclinic phase tungsten oxides with 1D ultrathin structure, especially less than 5 nm width, have not been reported. Herein, we report the synthesis of hexagonal ultrathin tungsten oxide nanowires (U-WOx NW) by modified hydrothermal method. Microstructure characterization showed that U-WOx NW have the diameters of 1-3 nm below 5 nm and are hexagonal phase sub-stoichiometric WOx. U-WOx NW show absorption tail in the visible and near infrared region due to oxygen vacancies. For improving further photocatalytic performance, Ag co-catalyst was grown directly onto U-WOx NW surface by in situ redox reaction. Photocatalytic measurements revealed hexagonal U-WOx NW have better photodegradation activity, compared with commercial WO3(C-WO3) and oxidized U-WOx NW, ascribe to larger surface area, short diffusion length of photo-generated charge carriers and visible absorption of oxygen-vacancy-rich hexagonal ultrathin nanostructures. Moreover, the photocatalytic activity and stability of U-WOx NW using Ag co-catalyst were further improved.

  13. Growth of ultra-thin Ag films on Ni(111)

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Axel; Flege, Jan Ingo; Falta, Jens [Institute of Solid State Physics, University of Bremen, 28359 Bremen (Germany); Senanayake, Sanjaya [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States); Alamgir, Faisal [Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States)

    2009-07-01

    The physical and chemical properties of ultra-thin metal films on metallic substrates strongly depend on their morphology and the structure of the buried interface. Hence, detailed knowledge of the growth mechanisms is essential for the creation of new functional materials with novel characteristics. In this contribution, we present a comprehensive structural study of the growth and properties of epitaxial Ag films on Ni(111) by in-situ low energy electron microscopy (LEEM). For lower temperatures, the growth of the Ag film proceeds in a Stranski-Krastanov mode after completion of the wetting layer, while for higher temperatures layer-by-layer growth is observed. Quantitative information about the film structure were obtained by analyzing the intensity-voltage (I-V) dependence of the local electron reflectivity (IV-LEEM). The corresponding I(V) spectra showed intensity oscillations depending on local thickness of the Ag film due to the quantum size effect (QSE). Modeling of the I(V) spectra was performed both within the framework of a one-dimensional Kronig-Penney model and multiple scattering IV-LEED calculations. The results of both approaches concerning the variation of the layer spacings and interface characteristics for different temperatures and film thicknesses will be discussed.

  14. Ultrathin Coaxial Fiber Supercapacitors Achieving High Energy and Power Densities.

    Science.gov (United States)

    Shen, Caiwei; Xie, Yingxi; Sanghadasa, Mohan; Tang, Yong; Lu, Longsheng; Lin, Liwei

    2017-11-15

    Fiber-based supercapacitors have attracted significant interests because of their potential applications in wearable electronics. Although much progress has been made in recent years, the energy and power densities, mechanical strength, and flexibility of such devices are still in need of improvement for practical applications. Here, we demonstrate an ultrathin microcoaxial fiber supercapacitor (μCFSC) with high energy and power densities (2.7 mW h/cm 3 and 13 W/cm 3 ), as well as excellent mechanical properties. The prototype with the smallest reported overall diameter (∼13 μm) is fabricated by successive coating of functional layers onto a single micro-carbon-fiber via a scalable process. Combining the simulation results via the electrochemical model, we attribute the high performance to the well-controlled thin coatings that make full use of the electrode materials and minimize the ion transport path between electrodes. Moreover, the μCFSC features high bending flexibility and large tensile strength (more than 1 GPa), which make it promising as a building block for various flexible energy storage applications.

  15. Thickness-dependent spontaneous dewetting morphology of ultrathin Ag films.

    Science.gov (United States)

    Krishna, H; Sachan, R; Strader, J; Favazza, C; Khenner, M; Kalyanaraman, R

    2010-04-16

    We show here that the morphological pathway of spontaneous dewetting of ultrathin Ag films on SiO2 under nanosecond laser melting is dependent on film thickness. For films with thickness h of 2 nm < or = h < or = 9.5 nm, the morphology during the intermediate stages of dewetting consisted of bicontinuous structures. For films with 11.5 nm < or = h < or = 20 nm, the intermediate stages consisted of regularly sized holes. Measurement of the characteristic length scales for different stages of dewetting as a function of film thickness showed a systematic increase, which is consistent with the spinodal dewetting instability over the entire thickness range investigated. This change in morphology with thickness is consistent with observations made previously for polymer films (Sharma and Khanna 1998 Phys. Rev. Lett. 81 3463-6; Seemann et al 2001 J. Phys.: Condens. Matter 13 4925-38). Based on the behavior of free energy curvature that incorporates intermolecular forces, we have estimated the morphological transition thickness for the intermolecular forces for Ag on SiO2. The theory predictions agree well with observations for Ag. These results show that it is possible to form a variety of complex Ag nanomorphologies in a consistent manner, which could be useful in optical applications of Ag surfaces, such as in surface enhanced Raman sensing.

  16. Thickness-dependent spontaneous dewetting morphology of ultrathin Ag films

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, H; Favazza, C [Department of Physics, Washington University in St Louis, MO 63130 (United States); Sachan, R; Strader, J; Kalyanaraman, R [Department of Material Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Khenner, M, E-mail: ramki@utk.edu [Department of Mathematics, Western Kentucky University, Bowling Green, KY 42101 (United States)

    2010-04-16

    We show here that the morphological pathway of spontaneous dewetting of ultrathin Ag films on SiO{sub 2} under nanosecond laser melting is dependent on film thickness. For films with thickness h of 2 nm {<=} h {<=} 9.5 nm, the morphology during the intermediate stages of dewetting consisted of bicontinuous structures. For films with 11.5 nm {<=} h {<=} 20 nm, the intermediate stages consisted of regularly sized holes. Measurement of the characteristic length scales for different stages of dewetting as a function of film thickness showed a systematic increase, which is consistent with the spinodal dewetting instability over the entire thickness range investigated. This change in morphology with thickness is consistent with observations made previously for polymer films (Sharma and Khanna 1998 Phys. Rev. Lett. 81 3463-6; Seemann et al 2001 J. Phys.: Condens. Matter 13 4925-38). Based on the behavior of free energy curvature that incorporates intermolecular forces, we have estimated the morphological transition thickness for the intermolecular forces for Ag on SiO{sub 2}. The theory predictions agree well with observations for Ag. These results show that it is possible to form a variety of complex Ag nanomorphologies in a consistent manner, which could be useful in optical applications of Ag surfaces, such as in surface enhanced Raman sensing.

  17. Axial ion channeling patterns from ultra-thin silicon membranes

    International Nuclear Information System (INIS)

    Motapothula, M.; Dang, Z.Y.; Venkatesan, T.; Breese, M.B.H.; Rana, M.A.; Osman, A.

    2012-01-01

    We present channeling patterns produced by MeV protons transmitted through 55 nm thick [0 0 1] silicon membranes showing the early evolution of the axially channeled beam angular distribution for small tilts away from the [0 0 1], [0 1 1] and [1 1 1] axes. Instead of a ring-like “doughnut” distribution previously observed at small tilts to major axes in thicker membranes, geometric shapes such as squares and hexagons are observed along different axes in ultra-thin membranes. The different shapes arise because of the highly non-equilibrium transverse momentum distribution of the channeled beam during its initial propagation in the crystal and the reduced multiple scattering which allows the fine angular structure to be resolved. We describe a simple geometric construction of the intersecting planar channels at an axis to gain insight into the origin of the geometric shapes observed in such patterns and how they evolve into the ‘doughnut’ distributions in thicker crystals.

  18. Spin accumulation in disordered topological insulator ultrathin films

    Science.gov (United States)

    Siu, Zhuo Bin; Ho, Cong Son; Tan, Seng Ghee; Jalil, Mansoor B. A.

    2017-08-01

    Topological insulator (TI) ultrathin films differ from the more commonly studied semi-infinite bulk TIs in that the former possess both top and bottom surfaces where the surface states localized at different surfaces can couple to one another across the finite thickness of the film. In the presence of an in-plane magnetization, the TI thin films display two distinct phases depending on which of the inter-surface coupling or the magnetization is stronger. In this work, we consider a Bi2Se3 TI thin film system with an in-plane magnetization and numerically calculate the resulting spin accumulation on both surfaces of the film due to an in-plane electric field to linear order. We describe a numerical scheme for performing the Kubo formula calculation in which we include impurity scattering and vertex corrections. We find that the sums of the spin accumulation over the two surfaces in the in-plane direction perpendicular to the magnetization and in the out of plane direction are antisymmetric in Fermi energy around the charge neutrality point and are non-vanishing only when the symmetry between the top and bottom TI surfaces is broken. The impurity scattering, in general, diminishes the magnitude of the spin accumulation.

  19. Development of Full-Scale Ultrathin Shell Reflector

    Directory of Open Access Journals (Sweden)

    Durmuş Türkmen

    2012-01-01

    Full Text Available It is aimed that a new ultrathin shell composite reflector is developed considering different design options to optimize the stiffness/mass ratio, cost, and manufacturing. The reflector is an offset parabolic reflector with a diameter of 6 m, a focal length of 4.8 m, and an offset of 0.3 m and has the ability of folding and self-deploying. For Ku-band missions a full-scale offset parabolic reflector antenna is designed by considering different concepts of stiffening: (i reflective surface and skirt, (ii reflective surface and radial ribs, and (iii reflective surface, skirt, and radial ribs. In a preliminary study, the options are modeled using ABAQUS finite element program and compared with respect to their mass, fundamental frequency, and thermal surface errors. It is found that the option of reflective surface and skirt is more advantageous. The option is further analyzed to optimize the stiffness/mass ratio considering the design parameters of material thickness, width of the skirt, and ply angles. Using the TOPSIS method is determined the best reflector concept among thirty different designs. Accordingly, new design can be said to have some advantages in terms of mass, natural frequency, number of parts, production, and assembly than both SSBR and AstroMesh reflectors.

  20. Extremely flexible nanoscale ultrathin body silicon integrated circuits on plastic.

    Science.gov (United States)

    Shahrjerdi, Davood; Bedell, Stephen W

    2013-01-09

    In recent years, flexible devices based on nanoscale materials and structures have begun to emerge, exploiting semiconductor nanowires, graphene, and carbon nanotubes. This is primarily to circumvent the existing shortcomings of the conventional flexible electronics based on organic and amorphous semiconductors. The aim of this new class of flexible nanoelectronics is to attain high-performance devices with increased packing density. However, highly integrated flexible circuits with nanoscale transistors have not yet been demonstrated. Here, we show nanoscale flexible circuits on 60 Å thick silicon, including functional ring oscillators and memory cells. The 100-stage ring oscillators exhibit the stage delay of ~16 ps at a power supply voltage of 0.9 V, the best reported for any flexible circuits to date. The mechanical flexibility is achieved by employing the controlled spalling technology, enabling the large-area transfer of the ultrathin body silicon devices to a plastic substrate at room temperature. These results provide a simple and cost-effective pathway to enable ultralight flexible nanoelectronics with unprecedented level of system complexity based on mainstream silicon technology.