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

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.

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.

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 A_1g 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.

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 ...

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.

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.

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.

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

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)

''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.

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.

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.

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.

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.

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

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

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

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.

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.

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.

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

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.

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.

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.

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

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)

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.

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.

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.

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.

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)

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.

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

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.

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.

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.

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.

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

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.

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.

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

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

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...

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.

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

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.

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.

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

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

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)

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.

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

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.

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

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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.

Magnetic properties of novel epitaxial films

International Nuclear Information System (INIS)

Bader, S.D.; Moog, E.R.

1986-09-01

The surface magneto-optic Kerr effect (SMOKE) is used to explore the magnetism of ultra-thin Fe Films extending into the monolayer regime. Both bcc α-Fe and fcc γ-Fe single-crystalline, multilayer films are prepared on the bulk-terminated (1 x 1) structures of Au(100) and Cu(100), respectively. The characterizations of epitaxy and growth mode are performed using low energy electron diffraction and Auger electron spectroscopy. Monolayer-range Fe/Au(100) is ferromagnetic with a lower Curie temperature than bulk α-Fe. The controversial γ-Fe/Cu(100) system exhibits a striking, metastable, surface magnetic phase at temperatures above room temperature, but does not exhibit bulk ferromagnetism

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)

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.

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)

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.

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.

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

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.

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)

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.

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

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.)

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.

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.

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

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.

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...

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.

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

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.

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

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.

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

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.

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.

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.

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.

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

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.)

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

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.

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.

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)

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

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....

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

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.

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

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)

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.

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

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

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

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%)

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

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.

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

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.

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.

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

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.

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

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)

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

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)

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.

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.

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.

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

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...

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.

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.

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

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.

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

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.)

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

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)

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.

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...

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.

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.

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.

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.

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

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.

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.

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.

Interface magnetism of 3d transition metals

DEFF Research Database (Denmark)

Niklasson, A. M. N.; Johansson, B.; Skriver, Hans Lomholt

1999-01-01

The layered resolved magnetic spin moments of the magnetic 3d bilayer interfaces Fe/V bcc, Fe/Co bcc, Fe/Cu bcc, Co/V bcc, Co/Ni fee, Co/Cu fee, Ni/V fee, Ni/Cr fcc, Ni/Cu fee and the magnetic surfaces Fe bcc, Co bcc, Co fee, and Ni fee are calculated for the (001), (011), and (111) orientations...

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)

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

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

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

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.

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.

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.

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.

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

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.

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

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.

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.

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.

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.

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)

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.

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.

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.

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.

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

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

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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

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).

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.

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

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.

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.

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.

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.

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

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...

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.

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.

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.)

Effect of Ti content on structure and properties of Al2CrFeNiCoCuTix high-entropy alloy coatings

International Nuclear Information System (INIS)

Qiu, X.W.; Zhang, Y.P.; Liu, C.G.

2014-01-01

Highlights: • Al 2 CrFeNiCoCuTi x high-entropy alloy coatings were prepared by laser cladding. • Al 2 CrFeNiCoCuTi x coatings show excellent corrosion resistance and wear resistance. • Al 2 CrFeNiCoCuTi x coatings play a good protective effect on Q235 steel. • Ti element promotes the formation of a BCC structure in a certain extent. -- Abstract: The Al 2 CrFeNiCoCuTi x high-entropy alloy coatings were prepared by laser cladding. The structure, hardness, corrosion resistance, wear resistance and magnetic property were studied by metallurgical microscope, scanning electron microscopy with spectroscopy (SEM/EDS), X-ray diffraction, micro/Vickers hardness tester, electrochemical workstation tribometer and multi-physical tester. The result shows that, Al 2 CrFeNiCoCuTi x high-entropy alloy samples consist of the cladding zone, bounding zone, heat affected zone and substrate zone. The bonding between the cladding layer and the substrate of a good combination; the cladding zone is composed mainly of equiaxed grains and columnar crystal; the phase structure of Al 2 CrFeNiCoCuTi x high-entropy alloy coatings simple for FCC, BCC and Laves phase due to high-entropy affect. Ti element promotes the formation of a BCC structure in a certain extent. Compared with Q235 steel, the free-corrosion current density of Al 2 CrFeNiCoCuTi x high-entropy alloy coatings is reduced by 1–2 orders of magnitude, the free-corrosion potential is more “positive”. With the increasing of Ti content, the corrosion resistance of Al 2 CrFeCoCuNiTi x high-entropy alloy coatings enhanced in 0.5 mol/L HNO 3 solution. Compared with Q235 steel, the relative wear resistance of Al 2 CrFeCoCuNiTi x high-entropy alloy coatings has improved greatly; both the hardness and plasticity are affecting wear resistance. Magnetization loop shows that, Ti 0.0 high-entropy alloy is a kind of soft magnetic materials

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)

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.

The application of photoelectron spectroscopy in the study of corrosion and oxidation mechanisms of alloys: Inconel 182, Fe/Cu(100 and U-Zr-Nb

International Nuclear Information System (INIS)

Mendonca, Renato de

2011-05-01

In. this work a study of the oxidation/corrosion process of three systems of metallic materials by Photoemission Spectroscopy is presented. In the first system, it was investigated the corrosion of Ineonel 182 at simulated Pressurized Water Reactor (PWR) environment. Samples with and without surface chemical treatment were exposed to the simulated environment for until 18 weeks. The oxide layer formed on the surfaces of the samples at different conditions was characterized by Scanning Electron Microscopy and XPS coupled with argon ion sputtering. The comparison between the oxide films grown on the samples showed that the oxide layer formed on the chemically treated sample is thinner and relatively Cr-rich. In second system it was studied the initial oxidation at room temperature of epitaxial films of Fe evapored on Cu (100). The films were deposited with two different thicknesses in order to get tbe fcc Fe (100) and bcc Fe (110) surfaces. The results, obtained by photoemission spectroscopy at the TEMPO beamline of the Synchrotron Soleil, showed the formation of distinct oxides films. The surfaces also presented different kinetics of oxidation and the (110) Fe-bcc showed highest reactivity. The analysis of the data indicated the Fe 1-x O formation on fcc Fe (100) and suggested the Fe 1-x O and FC 3 0 4 formation on (110) Fe-bcc surface. In the last system, it was investigated the initial oxidation of U-Zr-Nb alloys at room temperature. For this experiment, the alloys were exposed to oxygen in ultra high vacuum. The analysis of the U 4f peak showed the fast formation of U) 2 on the surfaces and similar kinetics of oxidation between the U and the U-Zr-Nb alloy. The alloying elements showed slower oxidation. The Zr 3d peak suggested the zr0 2 formation while the Nb 3d peak showed a remarkable enlargement that became necessary a deconvolution which indicated the formation ofNhO , Nb0 2 and N 2 0 5 . (author)

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.

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

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. �

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.

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

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

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.

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)

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.

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...

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)

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.

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.

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.

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

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

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.

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

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.

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.

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 .

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

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...

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.

High-induction nanocrystalline soft magnetic Fe{sub X}Ti{sub Y}B{sub Z} films prepared by magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Sheftel, Elena N.; Tedzhetov, Valentin A.; Harin, Eugene V.; Usmanova, Galina Sh. [A.A. Baikov Institute of Metallurgy and Material Science, Russian Academy of Sciences, Moscow (Russian Federation); Kiryukhantsev-Korneev, Filipp V. [National University of Science and Technology ' ' MISIS' ' , Moscow (Russian Federation)

2016-12-15

To design films with the Fe/TiB{sub 2} nanocomposite structure, which are characterized by high saturation induction B{sub s}, the phase and structural states and static magnetic properties of Fe-TiB{sub 2} films prepared by magnetron sputtering and subjected to subsequent annealing have been studied. According to X-ray diffraction data, either amorphous or nanocrystalline single-phase structure (an α-Fe(Ti,B) supersaturated solid solution with a bcc crystal lattice) is formed in the as-sputtered films. Depending on the film composition, the grain size of the α-Fe(Ti,B) phase varies from 45.6 to 6.5 nm; grains are characterized by high microstrain (0.21-4.96%). The annealing at 200-500 C leads to a decrease in the lattice parameter of the α-Fe(Ti,B) phase, i.e. to its depletion of titanium and boron and to the formation of two-phase α-Fe + Fe{sub 3}B structure after annealing at 500 C. The annealing at 200-500 C almost does not affect the grain size and microstrain of the bcc α-Fe-based phase. The amorphous state of the films is stable up to 500 C. All studied films are ferromagnets; the saturation induction B{sub s}(0.95-2.13 T) and coercive field H{sub c} (0.4-5 kA/m) of the films were determined. Correlations between the B{sub s} and H{sub c} magnitudes and the chemical composition of the films, their phase and structural states and magnetic structure are discussed. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

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.

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)

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.

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

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.

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

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.

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.

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.

Lattice location of O{sup 18} in ion implanted Fe crystals by Rutherford backscattering spectrometry, channeling and nuclear reaction analysis

Energy Technology Data Exchange (ETDEWEB)

Vairavel, Mathayan; Sundaravel, Balakrishnan, E-mail: bsundar@igcar.gov.in; Panigrahi, Binaykumar

2016-09-15

There are contradictory theoretical predictions of lattice location of oxygen interstitial atom at tetrahedral and octahedral interstices in bcc Fe. For validating these predictions, 300 keV O{sup 18} ions with fluence of 5 × 10{sup 15} ions/cm{sup 2} are implanted into bcc Fe single crystals at room temperature and annealed at 400 °C. The Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA)/channeling measurements are carried out with 850 keV protons. The lattice location of implanted O{sup 18} is analysed using the α-particles yield from O{sup 18}(p,α)N{sup 15} nuclear reaction. The tilt angular scans of α-particle yield along 〈110〉 and 〈100〉 axial directions are performed at room temperature. Lattice location of O{sup 18} is found to be at tetrahedral interstitial site by comparing the experimental scan with simulated scans using FLUX7 software.

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.

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.

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)

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.

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.

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.

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.

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.

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

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

Synthesis and Characterization of High-Entropy Alloy AlFeCoNiCuCr by Laser Cladding

Directory of Open Access Journals (Sweden)

Xiaoyang Ye

2011-01-01

Full Text Available High-entropy alloys have been recently found to have novel microstructures and unique properties. In this study, a novel AlFeCoNiCuCr high-entropy alloy was prepared by laser cladding. The microstructure, chemical composition, and constituent phases of the synthesized alloy were characterized by SEM, EDS, XRD, and TEM, respectively. High-temperature hardness was also evaluated. Experimental results demonstrate that the AlFeCoNiCuCr clad layer is composed of only BCC and FCC phases. The clad layers exhibit higher hardness at higher Al atomic content. The AlFeCoNiCuCr clad layer exhibits increased hardness at temperature between 400–700°C.

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

Electroplated Fe-Co-Ni films prepared in ammonium-chloride-based plating baths

Science.gov (United States)

Yanai, T.; Koda, K.; Kaji, J.; Aramaki, H.; Eguchi, K.; Takashima, K.; Nakano, M.; Fukunaga, H.

2018-05-01

We electroplated Fe-Co-Ni films in ammonium-chloride-based plating baths, and investigated the effect of the Co content on the magnetic properties and the structural ones of the as-plated films. The coercivity increased abruptly when the Co content become more than 60 at.%. As the rough surfaces were observed in the high Co content region, we considered that degradation of the surface is a factor of the abrupt increase in the coercivity. From the XRD analysis, we found that another factor of the abrupt increase is fcc-bcc phase transformation, and concluded that we need to keep the fcc structure to obtain Fe-Co-Ni films with low coercivity.

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...

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.

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.

Study of defect annealing behaviour in neutron irradiated Cu and Fe using positron annihilation and electrical conductivity

International Nuclear Information System (INIS)

Eldrup, M.; Singh, B.N.

2000-01-01

To compare the defect accumulation and the annealing behaviour in an fcc and a bcc metal, OFHC-Cu and pure Fe were neutron irradiated at 100 deg. C to a fluence of 1.5 x 10 24 n/m 2 , (E > 1 MeV). Isochronal annealing was carried out and the annealing behaviour followed by positron annihilation spectroscopy (PAS) as well as electrical conductivity measurements. The results for the two specimens in the as-irradiated state are very different. In Cu the defect positron lifetime is characteristic of single vacancies, very small vacancy clusters or stacking fault tetrahedra, while in Fe the defect lifetimes confirm the presence of micro-voids and voids. The electrical conductivity, on the other hand does not discriminate between the two types of damage in the irradiated specimens. During annealing of the irradiated Fe below stage V, the average void size grows by migration and coalescence of the micro-voids and voids. At and above stage V the void density decreases and the voids finally anneal out at ∼500 deg. C. In contrast, the annealing of irradiated Cu below stage V does not yield any evidence for the evolution of micro-voids or voids. The implications of these results are discussed. One conclusion is that neutron irradiation below stage V causes higher void swelling in bcc iron than in fcc copper

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

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.

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...

Shape-Memory Effect and Pseudoelasticity in Fe-Mn-Based Alloys

Science.gov (United States)

La Roca, P.; Baruj, A.; Sade, M.

2017-03-01

Several Fe-based alloys are being considered as potential candidates for applications which require shape-memory behavior or superelastic properties. The possibility of using fabrication methods which are well known in the steel industry is very attractive and encourages a large amount of research in the field. In the present article, Fe-Mn-based alloys are mainly addressed. On the one hand, attention is paid to the shape-memory effect where the alloys contain (a) a maximum amount of Mn up to around 30 wt%, (b) several possible substitutional elements like Si, Cr, Ni, Co, and Nb and (c) some possible interstitial elements like C. On the other hand, superelastic alloys are analyzed, mainly the Fe-Mn-Al-Ni system discovered a few years ago. The most noticeable properties resulting from the martensitic transformations which are responsible for the mentioned properties, i.e., the fcc-hcp in the first case and the bcc-fcc in the latter are discussed. Selected potential applications are also analyzed.

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)

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.

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.

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%

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.

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.

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)

Microstructural characterisation of high-entropy alloy AlCoCrFeNi fabricated by laser engineered net shaping

Energy Technology Data Exchange (ETDEWEB)

Kunce, I., E-mail: ikunce@wat.edu.pl [Department of Advanced Materials and Technology, Military University of Technology, 2 Kaliskiego Str., 01-908 Warsaw (Poland); Polanski, M.; Karczewski, K. [Department of Advanced Materials and Technology, Military University of Technology, 2 Kaliskiego Str., 01-908 Warsaw (Poland); Plocinski, T.; Kurzydlowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, 141 Wołoska Str., 02-507 Warsaw (Poland)

2015-11-05

Laser engineered net shaping (LENS) was used to produce thin-walled samples of the high-entropy alloy AlCoCrFeNi from a prealloyed powder. To determine the effect of the cooling rate during solidification on the microstructure of the alloy, different laser scanning rates were used. A microstructural study of the surfaces of the sample walls was performed using X-ray diffraction analysis and optical and scanning/transmission electron microscopy. The crystal structure of the alloy was determined to be a body-centred cubic (bcc)-derivative B2-ordered type. The microstructure of the alloy produced by LENS was dendritic. Further, it was found that with an increase in the laser scanning rate from 2.5 to 40 mm s{sup −1}, the average grain size decreased from 108.3 ± 32.4 μm to 30.6 ± 9.2 μm. The maximum cooling rate achieved during the laser cladding of the alloy was 44 × 10{sup 3} K s{sup −1}. The electron microscopy study of the alloy showed the presence of precipitates. The morphology of the disordered bcc (Fe, Cr)-rich precipitates in the ordered B2 (Al, Ni)-rich matrix changed in the dendritic and interdendritic regions from fine and spherical (with a diameter of less 100 nm) to spinodal (with the thickness being less than 100 nm). The LENS- produced AlCoCrFeNi alloy exhibited an average microhardness of approximately 543 HV0.5; this was approximately 13% higher than the hardness in the as-cast state and can be attributed to the grain refinemet in the LENS- produced alloy. Moreover, it was found that increasing the cooling rate during laser cladding increasess the microhardness of the alloy. - Highlights: • Laser-engineered net shaping is used to produce samples of AlCoCrFeNi alloy. • The alloy has a body-centred cubic (bcc)-derivative B2-ordered crystal structure. • Electron microscopy images of the alloy show the presence of precipitates. • The microhardness of the laser-clad alloy is higher than that of the as-cast alloy. • The cooling rate

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.

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

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.

Tunneling-Magnetoresistance Ratio Comparison of MgO-Based Perpendicular-Magnetic-Tunneling-Junction Spin Valve Between Top and Bottom Co2Fe6B2 Free Layer Structure.

Science.gov (United States)

Lee, Du-Yeong; Lee, Seung-Eun; Shim, Tae-Hun; Park, Jea-Gun

2016-12-01

For the perpendicular-magnetic-tunneling-junction (p-MTJ) spin valve with a nanoscale-thick bottom Co2Fe6B2 free layer ex situ annealed at 400 °C, which has been used as a common p-MTJ structure, the Pt atoms of the Pt buffer layer diffused into the MgO tunneling barrier. This transformed the MgO tunneling barrier from a body-centered cubic (b.c.c) crystallized layer into a mixture of b.c.c, face-centered cubic, and amorphous layers and rapidly decreased the tunneling-magnetoresistance (TMR) ratio. The p-MTJ spin valve with a nanoscale-thick top Co2Fe6B2 free layer could prevent the Pt atoms diffusing into the MgO tunneling barrier during ex situ annealing at 400 °C because of non-necessity of a Pt buffer layer, demonstrating the TMR ratio of ~143 %.

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.

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.

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.

Mössbauer study of alloy Fe{sub 67.5}Ni{sub 32.5}, prepared by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Benitez Rodríguez, Edson Daniel, E-mail: edbenitezr@ut.edu.co; Bustos Rodríguez, Humberto; Oyola Lozano, Dagoberto; Rojas Martínez, Yebrail Antonio [University of Tolima, Department of Physics (Colombia); Pérez Alcázar, German Antonio [University of Valle, Department of Physics (Colombia)

2015-06-15

We present the study of effect of the particle size on the structural and magnetic properties of the Fe{sub 67.5}Ni{sub 32.5} alloy, prepared by mechanical alloying (MA). After milling the powders during 10 hours they were separated by sieving using different meshes. The refinement of the X-ray patterns showed the coexistence of the BCC (Body Centered Cubic) and the FCC (Face Centered Cubic) phases in all samples with lattice parameters and crystallite sizes independent of the mean particle size. However, big particles presented bigger volumetric fraction of BCC grains. The Mossbauer spectra were fitted with a broad sextet corresponding to the ferromagnetic BCC phase, a hyperfine magnetic field distribution and a broad singlet which correspond to the ferromagnetic and paramagnetic sites of the FCC phase, respectively. Hysteresis loops showed a magnetically, soft behavior for all the samples, however, the saturation magnetization values are smaller for the original powder and for the powders with small, mean, particle size due to the dipolar magnetic interaction and the smaller mean magnetic moment, respectively. These effects were proved by Henkel plots that were made to the samples.

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

Magnetic and structural properties of Fe/Pd multilayers studied by magnetic x-ray dichroism and x-ray absorption spectroscopy

International Nuclear Information System (INIS)

Mini, S.M.; Fullerton, E.E.; Sowers, C.H.; Fontaine, A.; Pizzini, S.; Bommannavar, A.S.; Traverse, A.; Baudelet, F.

1994-12-01

The results of magnetic circular x-ray dichroism (MCXD) measurements and extended x-ray absorption fine structure measurements (EXAFS) of the Fe K-edges of textured Fe(110)/Pd(111) multilayers are reported. The EXAFS results indicates that the iron in the system goes from bcc to a more densely packed system as the thickness of the iron layer is decreased. The magnetic properties were measured by SQUID magnetometry from 5-350 K. For all the samples, the saturation magnetization was significantly enhanced over the bulk values indicating the interface Pd atoms are polarized by the Fe layer. The enhancement corresponds to a moment of ∼2.5μ B per interface Pd atom

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.

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

The Phase Evolution and Property of FeCoCrNiAlTix High-Entropy Alloying Coatings on Q253 via Laser Cladding

Directory of Open Access Journals (Sweden)

Bin He

2017-09-01

Full Text Available High-entropy alloys (HEAs are emerging as a hot research frontier in the metallic materials field. The study on the effect of alloying elements on the structure and properties of HEAs may contribute to the progress of the research and accelerate the application in actual production. FeCoCrNiAlTix (x = 0, 0.25, 0.5, 0.75, and 1 in at.%, respectively HEA coatings with different Ti concentrations were produced on Q235 steel via laser cladding. The constituent phases, microstructure, hardness, and wear resistance of the coatings were investigated by XRD, SEM, microhardness tester and friction-wear tester, respectively. The results show that the structure of the coating is a eutectic microstructure of FCC and BCC1 at x = 0. The structure of coatings consists of both proeutectic FCC phase and the eutectic structure of BCC1 and BCC2. With the continuous addition of Ti, the amount of eutectic structure decreases. The average hardness of the FeCoCrNiAlTix HEA coatings at x = 0, 0.25, 0.5, 0.75, and 1 are 432.73 HV, 548.81 HV, 651.03 HV, 769.20 HV, and 966.29 HV, respectively. The hardness of coatings increases with the addition of Ti, where the maximum hardness is achieved for the HEA at x = 1. The wear resistance of the HEA coatings is enhanced with the addition of Ti, and the main worn mechanism is abrasive wear.

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.

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)

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.

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.

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.

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

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.

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.

Nanocrystalline (Fe{sub 60}Al{sub 40}){sub 80}Cu{sub 20} alloy prepared by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Krifa, M.; Mhadhbi, M. [Laboratoire de Chimie Inorganique, 99/UR/12-22, FSS – Université de Sfax, B.P. 1171, Sfax 3018 (Tunisia); Escoda, L.; Güell, J.M. [Dept. de Fisica, Universitat de Girona, Campus Montilivi, 17071 Girona (Spain); Suñol, J.J., E-mail: joanjosep.sunyol@udg.edu [Dept. de Fisica, Universitat de Girona, Campus Montilivi, 17071 Girona (Spain); Llorca-Isern, N.; Artieda-Guzmán, C. [Dept. CMEM, Universitat de Barcelona, Martí Franques 1, 08028 Barcelona (Spain); Khitouni, M. [Laboratoire de Chimie Inorganique, 99/UR/12-22, FSS – Université de Sfax, B.P. 1171, Sfax 3018 (Tunisia)

2013-03-25

Highlights: ► Nanocrystalline Fe(Al, Cu) powdered alloy (10 nm) has been synthesized by MA. ► Decreasing the crystallite size increases coercivity and squareness ratio. ► As low crystallites size stronger hard ferromagnetic material results. -- Abstract: A nanostructured disordered Fe(Al, Cu) solid solution was obtained from prealloyed FeAl and elemental Cu powders using a high-energy ball mill. The transformations occurring in the material during milling were studied with the use of X-ray diffraction. The transformation of the phase depends upon the milling time. With the increase of milling time all Cu atoms became dissolved in the bcc Fe and the final product of the MA process was the nanocrystalline Fe(Al, Cu) solid solution with a mean crystallite size of 10 nm. Scanning electron microscopy (SEM) was employed to examine the morphology of the samples as a function of milling times. Magnetic properties were also investigated and were related to the microstructural changes. The system showed hard magnetic behavior.

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...

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

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.

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.

Fe Core–Carbon Shell Nanoparticles as Advanced MRI Contrast Enhancer

Directory of Open Access Journals (Sweden)

Rakesh P. Chaudhary

2017-10-01

Full Text Available The aim of this study is to fabricate a hybrid composite of iron (Fe core–carbon (C shell nanoparticles with enhanced magnetic properties for contrast enhancement in magnetic resonance imaging (MRI. These new classes of magnetic core–shell nanoparticles are synthesized using a one-step top–down approach through the electric plasma discharge generated in the cavitation field in organic solvents by an ultrasonic horn. Transmission electron microscopy (TEM observations revealed the core–shell nanoparticles with 10–85 nm in diameter with excellent dispersibility in water without any agglomeration. TEM showed the structural confirmation of Fe nanoparticles with body centered cubic (bcc crystal structure. Magnetic multi-functional hybrid composites of Fe core–C shell nanoparticles were then evaluated as negative MRI contrast agents, displaying remarkably high transverse relaxivity (r2 of 70 mM−1·S−1 at 7 T. This simple one-step synthesis procedure is highly versatile and produces desired nanoparticles with high efficacy as MRI contrast agents and potential utility in other biomedical applications.

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.

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

A popular metastable omega phase in body-centered cubic steels

Energy Technology Data Exchange (ETDEWEB)

Ping, D.H., E-mail: ping.de-hai@nims.go.jp [National Institute for Materials Science, Sengen 1-2-1, Tsukuba 305-0047 (Japan); Geng, W.T., E-mail: geng@ustb.edu.cn [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China)

2013-05-15

Steel remains to be one of the most common structural materials in the world as human civilization advances from the Iron Age to the ongoing Silicon Age. Our knowledge of its microstructure evolution and structure–performance relationship is nevertheless still incomplete. We report the observation and characterization of a long ignored metastable phase formed in steels with body-centered cubic (bcc) structure using both transmission electron microscopy and density functional theory calculations. This ω phase has a hexagonal structure and coherent interface with the matrix: a{sub ω} = √2 × a{sub bcc} and c{sub ω} = √3/2 × a{sub bcc}. It is 3.6% smaller in volume and 0.18 eV higher in energy than bcc-Fe, with atoms in alternating close- and loose-packed layers couple anti-ferromagnetically. Carbon plays a crucial role in promoting bcc to ω transformation. At a concentration higher than 4 at.% they tend to segregate from the bcc matrix to the ω-phase; at about 14 at.%, they can induce bcc to ω transformation; and finally at 25 at.%, they stabilize the ω phase as ω-Fe{sub 3}C. The ω phase in bcc Fe can serve as sinks for vacancies, H, and He atoms, leading to improved resistance of martensitic steels to irradiation damage. - Highlights: ► A long-ignored metastable ω phase in body-centered cubic (bcc) steel. ► The ω phase has hexagonal structure with lattice parameters a{sub ω} = √2 × a{sub bcc} and c{sub ω} = √3/2 × a{sub bcc}. ► Carbon enrichment is found to play a crucial role on the bcc-to-ω phase transformation. ► The ω phase is strongly related to the martensitic transformation and twinning structure. ► The ω phase in bcc Fe can serve as sinks for vacancies, H, and He atoms.

Microstrucural characterization of gas atomized Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} and Fe{sub 97}Si{sub 3} alloys

Energy Technology Data Exchange (ETDEWEB)

Garcia-Escorial, A., E-mail: age@cenim.csic.es [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lieblich, M. [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lopez, M.; Marin, P. [Instituto de Magnetismo Aplicado, P.O. Box 155, 28230 Madrid (Spain)

2011-06-15

Research highlights: > Two FeSi-base alloys as precursors for small dimension soft magnets. > Small particles rapidly solidified by gas atomisation. > Increase effective magnetic anisotropy constant by alloying segregation. > Magnetic hardenning due to volume decrease. - Abstract: Powder particles of Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} and Fe{sub 97}Si{sub 3} soft magnetic alloys have been prepared by gas atomization. The gas atomized powder was microstructurally characterized and the dependence of coercivity with the composition and powder particle size investigated. As-atomized powder particles of both compositions were constituted by a bcc {alpha}-Fe (Si) solid solution. The Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} powder particles presented a grain microstructure with dendrite structure, which dendrite arms were enriched in Nb. The coercivity increased as the particle size decreased, with a minimum coercivity, of 5 Oe, measured in the Fe{sub 97}Si{sub 3} alloy in the range of 50-100 {mu}m powder particle size. The coercive fields were quite higher in the Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} than in the Fe{sub 97}Si{sub 3} powder, due to the Nb addition, which produced a phase segregation that leads to a noticeable magnetic hardening.

Nanowire decorated, ultra-thin, single crystalline silicon for photovoltaic devices.

Science.gov (United States)

Aurang, Pantea; Turan, Rasit; Unalan, Husnu Emrah

2017-10-06

Reducing silicon (Si) wafer thickness in the photovoltaic industry has always been demanded for lowering the overall cost. Further benefits such as short collection lengths and improved open circuit voltages can also be achieved by Si thickness reduction. However, the problem with thin films is poor light absorption. One way to decrease optical losses in photovoltaic devices is to minimize the front side reflection. This approach can be applied to front contacted ultra-thin crystalline Si solar cells to increase the light absorption. In this work, homojunction solar cells were fabricated using ultra-thin and flexible single crystal Si wafers. A metal assisted chemical etching method was used for the nanowire (NW) texturization of ultra-thin Si wafers to compensate weak light absorption. A relative improvement of 56% in the reflectivity was observed for ultra-thin Si wafers with the thickness of 20 ± 0.2 μm upon NW texturization. NW length and top contact optimization resulted in a relative enhancement of 23% ± 5% in photovoltaic conversion efficiency.

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

Effect of heat sink layer on ultrafast magnetization recovery of FeCo films

International Nuclear Information System (INIS)

Ren, Y; Zhao, J Q; Zhang, Z Z; Jin, Q Y; Hu, H N; Zhou, S M

2008-01-01

For FeCo alloy thin films with Ag, Cu, Pt, Ta and Cr as heat sink layers, ultrafast demagnetization and recovery processes of transient magnetization have been studied by the time-resolved magneto-optical Kerr effect. For all samples, the ultrafast demagnetization process is accomplished within almost the same time interval of 500 fs, which is independent of the heat sink layer material and the pump fluence. The recovery rate of the FeCo film grown on the Si(1 0 0) substrate is enhanced with a heat sink layer. In addition, the recovery rate is found to be independent of the heat sink layer thickness; it decreases with increasing pump fluence. Among all heat sink layers, the sample with the Cr layer achieves the highest recovery rate because it has the same bcc structure as that of the FeCo layer and the small lattice mismatch. The sample with the Ta layer, has the largest damage threshold of pump fluence because of the highest melting point

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.

Moessbauer spectroscopy of the Zr-rich region in Zr-Nb-Fe alloys with low Nb content

International Nuclear Information System (INIS)

Ramos, C.; Saragovi, C.; Granovsky, M.; Arias, D.

1999-01-01

Intermetallic phases and solid solutions in the Zr-rich region of the Zr-Nb-Fe system with low Nb content are studied by Moessbauer spectroscopy complemented with X-ray diffraction, optical and scanning electron microscopy and electron microprobe analysis. The phases found in each sample were those expected from the corresponding binary Zr-Fe system. Furthermore, one of the samples showed a ternary cubic Ti 2 Ni type phase with a similar stoichiometry to the tetragonal Zr 2 Fe compound. Moessbauer parameters were suggested to this phase (IS: - 0.12 mm/s, QS: 0.30 mm/s), to the bcc Zr(β) phase (IS: (-0.11 α 0.01) mm/s, QS: (0.23 α 0.02) mm/s), and to the hcp Zr(β T ) phase (IS: (-0.24 α 0.02) mm/s, QS: (0.45 α 0.02) mm/s)

Morphology and magnetism of Fe monolayers and small Fen clusters (n 2-19) supported on the Ni(111) surface

International Nuclear Information System (INIS)

Longo, R C; MartInez, E; Dieguez, O; Vega, A; Gallego, L J

2007-01-01

Using the modified embedded atom model in conjunction with a self-consistent tight-binding method, we investigated the lowest-energy structures of Fe monolayers and isolated Fe n clusters (n = 2-19) supported on the Ni(111) surface. In keeping with experimental findings, our calculations predict that the atoms of the monolayer occupy face-centred cubic (fcc) rather than hexagonal close-packed (hcp) sites. Likewise in agreement with experiment we found that Fe layers stack with a pseudomorphic fcc structure up to two monolayers, beyond which they stack as bcc(110). The structures of supported Fe clusters are predicted to be two-dimensional islands maximizing the number of nearest-neighbour bonds among the adsorbed Fe atoms, and their average magnetic moments per atom decrease towards that of the supported Fe monolayer almost monotonically as n increases. Finally, a pair of Fe 3 clusters on Ni(111) were found to exhibit virtually no interaction with each other even when separated by only one atomic row, i.e. so long as they do not coalesce they retain their individual magnetic properties

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.

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.

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.

Effects of Zn additions to highly magnetoelastic FeGa alloys

Energy Technology Data Exchange (ETDEWEB)

Lograsso, Thomas A., E-mail: lograsso@ameslab.gov [Division of Materials Sciences and Engineering, Ames Laboratory, Ames, Iowa 50011 (United States); Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011 (United States); Jones, Nicholas J.; Wun-Fogle, Marilyn; Restorff, James B. [Metallurgy and Fasteners Branch, Naval Surface Warfare Center, Carderock Division, Maryland 20817 (United States); Schlagel, Deborah L. [Division of Materials Sciences and Engineering, Ames Laboratory, Ames, Iowa 50011 (United States); Petculescu, Gabriela [University of Louisiana at Lafayette, Louisiana 70504 (United States); Clark, Arthur E. [Clark Associates, Adelphi, Maryland 20783 (United States); Hathaway, Kristl B. [Spectrum Technology Group, Inc., Gaithersburg, Maryland 20877 (United States)

2015-05-07

Fe{sub 1−x}M{sub x} (M = Ga, Ge, Si, Al, Mo and x ∼ 0.18) alloys offer an extraordinary combination of magnetoelasticity and mechanical properties. They are rare-earth-free, can be processed using conventional deformation techniques, have high magnetic permeability, low hysteresis, and low magnetic saturation fields, making them attractive for device applications such as actuators and energy harvesters. Starting with Fe-Ga as a reference and using a rigid-band-filling argument, Zhang et al. predicted that lowering the Fermi level by reducing the total number of electrons could enhance magnetoelasticity. To provide a direct experimental validation for Zhang's hypothesis, elemental additions with lower-than-Ga valence are needed. Of the possible candidates, only Be and Zn have sufficient solubility. Single crystals of bcc Fe-Ga-Zn have been grown with up to 4.6 at. % Zn in a Bridgman furnace under elevated pressure (15 bars) in order to overcome the high vapor pressure of Zn and obtain homogeneous crystals. Single-crystal measurements of magnetostriction and elastic constants allow for the direct comparison of the magnetoelastic coupling constants of Fe-Ga-Zn with those of other magnetoelastic alloys in its class. The partial substitution of Ga with Zn yields values for the magnetoelastic coupling factor, −b{sub 1}, comparable to those of the binary Fe-Ga alloy.

Origin of room temperature ferromagnetic moment in Rh-rich [Rh/Fe] multilayer thin films

International Nuclear Information System (INIS)

Kande, Dhishan; Laughlin, David; Zhu Jiangang

2010-01-01

B2 ordered FeRh thin films switch from antiferromagnetic (AFM) to ferromagnetic (FM) state on heating above 350 K and switch back on cooling, with a hysteresis. This property makes FeRh a very attractive choice as a write-assist layer material for low temperature heat assisted magnetic recording (HAMR) media. Studies have shown that as we decrease the thickness of the FeRh films, the B2 phase is no longer AFM even below 350 K and there is a thickness dependant FM stabilization of the B2 phase. It was also proved that slightly Rh-richer compositions (>50 at. % Rh) were more preferable to stabilize the AFM phase. The current study focuses on growing highly ordered FeRh films by alternate layer rf sputtering of thin layers of iron and rhodium onto a heated substrate. It has been shown that films with rhodium content beyond 55 at. % contain a disordered bcc FM phase which gives rise to residual moment at room temperature even for thicker films.

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)

Processing and characterization of AlCoFeNiXTi0,5 (X = Mn, V) high entropy alloys

International Nuclear Information System (INIS)

Triveno Rios, C.; Kiminami, C.S.

2014-01-01

The microstructure of high entropy alloys consists of solid solution phases with FC and BCC simple structures, contrary to classical metallurgy where they form complex structures of intermetallic compounds. Because of this they have several attractive properties for engineering applications. In this work the AlCoFeNiMnTi 0,5 and AlCoFeNiVTi 0,5 alloys were processed by melting arc. Since the main objective was the microstructural and mechanical characterization of ingots as-cast. The alloys were characterized by scanning electron microscopy, X-ray diffraction, microhardness and cold compression test. The results showed that the microstructure consists mainly of dendrites and interdendritic regions consisting of metastable crystalline phases. It was also observed that the AlCoFeNiVTi 0,5 alloy showed better mechanical properties than the AlCoFeNiMnTi 0,5 alloy. This may be associated with differences in the parameters of formation of simple solid solution phases between the two alloys. (author)

Structure and electronic properties of Zn-tetra-phenyl-porphyrin single- and multi-layers films grown on Fe(001)-p(1 × 1)O

Energy Technology Data Exchange (ETDEWEB)

Bussetti, Gianlorenzo, E-mail: gianlorenzo.bussetti@polimi.it; Calloni, Alberto; Celeri, Matteo; Yivlialin, Rossella; Finazzi, Marco; Bottegoni, Federico; Duò, Lamberto; Ciccacci, Franco

2016-12-30

Highlights: • ZnTPP/Fe(001)-p(1 × 1)O is a prototypical system to investigate the porphyrin/thin metal oxide film interaction. • Oxygen layer plays a crucial role in decreasing the porphyrin-substrate interaction. • An ordered ZnTPP (5 × 5) reconstruction is found on the nominal 1 ML-thick film. • On Fe(001)-p(1 × 1)O the electronic properties of the ZnTPP film are preserved with respect to other substrates. - Abstract: The structure and the electronic properties of thin (1 molecular layer) and thick (20 molecular layers) Zn-tetra-phenyl-porphyrin (ZnTPP) films grown on a single metal oxide (MO) layer, namely Fe(001)-p(1 × 1)O, are shown and discussed. During the first stages of deposition, the ultra-thin MO layer reduces the molecule-substrate interaction enhancing the molecular diffusivity with the respect to other investigated substrates [namely, Si(111), Au(001) and oxygen-free Fe(001)]. On Fe(001)-p(1 × 1)O, ZnTPP molecules form an ordered and stable square-lattice array. The photoemission analysis of the valence bands reveals that all the characteristic features of the molecule are already visible in the 1 monolayer-thick sample spectrum. Similarly, the core level investigation suggests a weak molecule perturbation. The ZnTPP/Fe(001)-p(1 × 1)O interface represents a prototypical system to investigate the organic film adhesion on ultra-thin MO layers and the processes involved during the film growth.

Direct peroral cholangioscopy using an ultrathin endoscope: making technique easier

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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.

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.

Ultra-thin ZnSe: Anisotropic and flexible crystal structure

Energy Technology Data Exchange (ETDEWEB)

Bacaksiz, C., E-mail: cihanbacaksiz@iyte.edu.tr [Department of Physics, Izmir Institute of Technology, 35430 Izmir (Turkey); Senger, R.T. [Department of Physics, Izmir Institute of Technology, 35430 Izmir (Turkey); Sahin, H. [Department of Photonics, Izmir Institute of Technology, 35430 Izmir (Turkey)

2017-07-01

Highlights: • Ultra-thin ZnSe is dynamically stable. • Ultra-thin ZnSe is electronically direct-gap semiconductor. • Ultra-thin ZnSe is ultra-flexible. • Ultra-thin ZnSe is mechanically in-plane anisotropic. - Abstract: By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal . The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications.

Ultra-thin ZnSe: Anisotropic and flexible crystal structure

International Nuclear Information System (INIS)

Bacaksiz, C.; Senger, R.T.; Sahin, H.

2017-01-01

Highlights: • Ultra-thin ZnSe is dynamically stable. • Ultra-thin ZnSe is electronically direct-gap semiconductor. • Ultra-thin ZnSe is ultra-flexible. • Ultra-thin ZnSe is mechanically in-plane anisotropic. - Abstract: By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal . The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications.

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.

Enhancement of superconducting transition temperature in FeSe electric-double-layer transistor with multivalent ionic liquids

Science.gov (United States)

Miyakawa, Tomoki; Shiogai, Junichi; Shimizu, Sunao; Matsumoto, Michio; Ito, Yukihiro; Harada, Takayuki; Fujiwara, Kohei; Nojima, Tsutomu; Itoh, Yoshimitsu; Aida, Takuzo; Iwasa, Yoshihiro; Tsukazaki, Atsushi

2018-03-01

We report on an enhancement of the superconducting transition temperature (Tc) of the FeSe-based electric-double-layer transistor (FeSe-EDLT) by applying the multivalent oligomeric ionic liquids (ILs). The IL composed of dimeric cation (divalent IL) enables a large amount of charge accumulation on the surface of the FeSe ultrathin film, resulting in inducing electron-rich conduction even in a rather thick 10 nm FeSe channel. The onset Tc in FeSe-EDLT with the divalent IL is enhanced to be approaching about 50 K at the thin limit, which is about 7 K higher than that in EDLT with conventional monovalent ILs. The enhancement of Tc is a pronounced effect of the application of the divalent IL, in addition to the large capacitance, supposing preferable interface formation of ILs driven by geometric and/or Coulombic effect. The present finding strongly indicates that multivalent ILs are powerful tools for controlling and improving physical properties of materials.

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.

Coercivity and nanostructure of melt-spun Ti-Fe-Co-B-based alloys

Directory of Open Access Journals (Sweden)

W. Y. Zhang

2016-05-01

Full Text Available Nanocrystalline Ti-Fe-Co-B-based alloys, prepared by melt spinning and subsequent annealing, have been characterized structurally and magnetically. X-ray diffraction and thermomagnetic measurements show that the ribbons consist of tetragonal Ti3(Fe,Co5B2, FeCo-rich bcc, and NiAl-rich L21 phases; Ti3(Fe,Co5B2, is a new substitutional alloy series whose end members Ti3Co5B2 and Ti3Fe5B2 have never been investigated magnetically and may not even exist, respectively. Two compositions are considered, namely Ti11+xFe37.5-0.5xCo37.5−0.5xB14 (x = 0, 4 and alnico-like Ti11Fe26Co26Ni10Al11Cu2B14, the latter also containing an L21-type alloy. The volume fraction of the Ti3(Fe,Co5B2 phase increases with x, which leads to a coercivity increase from 221 Oe for x = 0 to 452 Oe for x = 4. Since the grains are nearly equiaxed, there is little or no shape anisotropy, and the coercivity is largely due to the magnetocrystalline anisotropy of the tetragonal Ti3(Fe,Co5B2 phase. The alloy containing Ni, Al, and Cu exhibits a magnetization of 10.6 kG and a remanence ratio of 0.59. Our results indicate that magnetocrystalline anisotropy can be introduced in alnico-like magnets, adding to shape anisotropy that may be induced by field annealing.

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.

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

High rectification ratios of Fe-porphyrin molecules on Au facets

Energy Technology Data Exchange (ETDEWEB)

Wang, Xiaoyu; Wang, Gwo-Ching [Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, 110, 8th Street, Troy, NY 12180 (United States); Lewis, Kim M., E-mail: lewisk2@rpi.edu [Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, 110, 8th Street, Troy, NY 12180 (United States)

2012-09-14

We report room temperature measurements of current vs. voltage (I-V) from self-assembled Fe porphyrin [Fe(III) 5,15-di[4-(s-acetylthio)phenyl]-10,20-diphenyl porphine] molecular layers formed on annealed gold crystal facets on glass substrates. I-V curves were measured using an atomic force microscope with a conductive platinum tip. We observed a rectifier effect that shows asymmetric I-V curves from a monolayer of molecules. The majority rectification ratios at {+-}1 V obtained from hundreds of I-V lie in between 20 and 200, with the highest up to 9000. This is in contrast to the symmetric I-V curves measured from a few nm thick multilayer molecular islands. We contribute the observed rectification in ultrathin FeP molecular layers from asymmetric Schottky barriers that result from molecules in different bonding strengths to electrodes of gold and platinum. -- Highlights: Black-Right-Pointing-Pointer FeP molecular layers or islands of different thickness were self-assembled on Au. Black-Right-Pointing-Pointer High rectification ratios up to 9000 observed in sub-nm thick FeP molecular layers. Black-Right-Pointing-Pointer Measured current vs. voltage using a conductive AFM tip as one electrode. Black-Right-Pointing-Pointer Observed rectification of symmetric molecules using two different electrodes.

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.)

Moessbauer spectroscopy of the Zr-rich region in Zr-Nb-Fe alloys with low Nb content

Energy Technology Data Exchange (ETDEWEB)

Ramos, C. [Universidad de Buenos, Facultad de Ciencias Exactas y Naturales (Argentina); Saragovi, C. [Departamento de Fisica, Comision Nacional de Energia Atomica (Argentina); Granovsky, M.; Arias, D. [Departamento de Materiales, Comision Nacional de Energia Atomica (Argentina)

1999-11-15

Intermetallic phases and solid solutions in the Zr-rich region of the Zr-Nb-Fe system with low Nb content are studied by Moessbauer spectroscopy complemented with X-ray diffraction, optical and scanning electron microscopy and electron microprobe analysis. The phases found in each sample were those expected from the corresponding binary Zr-Fe system. Furthermore, one of the samples showed a ternary cubic Ti{sub 2}Ni type phase with a similar stoichiometry to the tetragonal Zr{sub 2}Fe compound. Moessbauer parameters were suggested to this phase (IS: - 0.12 mm/s, QS: 0.30 mm/s), to the bcc Zr({beta}) phase (IS: (-0.11 {alpha} 0.01) mm/s, QS: (0.23 {alpha} 0.02) mm/s), and to the hcp Zr({beta}{sup T}) phase (IS: (-0.24 {alpha} 0.02) mm/s, QS: (0.45 {alpha} 0.02) mm/s)

Temperature dependence of the interfacial magnetic anisotropy in W/CoFeB/MgO

Directory of Open Access Journals (Sweden)

Kyoung-Min Lee

2017-06-01

Full Text Available The interfacial perpendicular magnetic anisotropy in W/CoFeB (1.2 ∼ 3 nm/MgO thin film structures is strongly dependent on temperature, and is significantly reduced at high temperature. The interfacial magnetic anisotropy is generally proportional to the third power of magnetization, but an additional factor due to thermal expansion is required to explain the temperature dependence of the magnetic anisotropy of ultrathin CoFeB films. The reduction of the magnetic anisotropy is more prominent for the thinner films; as the temperature increases from 300 K to 400 K, the anisotropy is reduced ∼50% for the 1.2-nm-thick CoFeB, whereas the anisotropy is reduced ∼30% for the 1.7-nm-thick CoFeB. Such a substantial reduction of magnetic anisotropy at high temperature is problematic for data retention when incorporating W/CoFeB/MgO thin film structures into magneto-resistive random access memory devices. Alternative magnetic materials and structures are required to maintain large magnetic anisotropy at elevated temperatures.

Eutectic Al-Si-Cu-Fe-Mn alloys with enhanced mechanical properties at room and elevated temperature

International Nuclear Information System (INIS)

Wang, E.R.; Hui, X.D.; Chen, G.L.

2011-01-01

Highlights: → Fabricated a kind of high performance Al-Si alloy with low production costs. → Clarified two different morphologies of α-Fe and corresponding crystal structures. → Analyzed the crystallography of Cu-rich phases before and after T6 treatment. → Fracture mechanism of precipitates in experimental alloys during tensile process. -- Abstract: In this paper, we report a novel kind of eutectic Al-Si-Cu-Fe-Mn alloy with ultimate tensile strength up to 336 MPa and 144.3 MPa at room temperature and 300 o C, respectively. This kind of alloy was prepared by metal mold casting followed by T6 treatment. The microstructure is composed of eutectic and primary Si, α-Fe, Al 2 Cu and α-Al phases. Iron-rich phases, which were identified as BCC type of α-Fe (Al 15 (Fe,Mn) 3 Si 2 ), exist in blocky and dendrite forms. Tiny blocky Al 2 Cu crystals disperse in α-Fe dendrites or at the grain boundaries of α-Al. During T6 treatment, Cu atoms aggregate from the super-saturation solid solution to form GP zones, θ'' or θ'. Further analysis found that the enhanced mechanical properties of the experimental alloy are mainly attributed to the formation of α-Fe and copper-rich phases.

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

Luminescence properties of Si-capped β-FeSi{sub 2} nanodots epitaxially grown on Si(001) and (111) substrates

Energy Technology Data Exchange (ETDEWEB)

Amari, Shogo; Ichikawa, Masakazu [Department of Applied Physics, Graduate School of Engineering, The University of Tokyo, Bunkyo-ku, Tokyo 113-8656 (Japan); Nakamura, Yoshiaki, E-mail: nakamura@ee.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama-cho, Toyonaka, Osaka 560-8531 (Japan); PRESTO, JST, 4-1-8 Honcho Kawaguchi, Saitama 332-0012 (Japan)

2014-02-28

We studied the luminescence properties of Si-capped β-FeSi{sub 2} nanodots (NDs) epitaxially grown on Si substrates by using photoluminescence (PL) and electroluminescence (EL) spectroscopies. Codepositing Fe and Si on ultrathin SiO{sub 2} films induced the self-assembly of epitaxial β-FeSi{sub 2} NDs. The PL spectra of the Si/β-FeSi{sub 2} NDs/Si structure depended on the crystal orientation of the Si substrate. These structures exhibited a broad PL peak near 0.8 eV on both Si(001) and (111) substrates. The PL intensity depended on the shape of the β-FeSi{sub 2} NDs. For the flat NDs, which exhibited higher PL intensity, we also recorded EL spectra. We explained the luminescence properties of these structures by the presence of nanostructured Si offering radiative electronic states in the Si cap layers, generated by nano-stressors for upper Si layer: the strain-relaxed β-FeSi{sub 2} NDs.

Martensitic Transformation and Superelasticity in Fe-Mn-Al-Based Shape Memory Alloys

Science.gov (United States)

Omori, Toshihiro; Kainuma, Ryosuke

2017-12-01

Ferrous shape memory alloys showing superelasticity have recently been obtained in two alloy systems in the 2010s. One is Fe-Mn-Al-Ni, which undergoes martensitic transformation (MT) between the α (bcc) parent and γ' (fcc) martensite phases. This MT can be thermodynamically understood by considering the magnetic contribution to the Gibbs energy, and the β-NiAl (B2) nanoprecipitates play an important role in the thermoelastic MT. The temperature dependence of critical stress for the MT is very small (about 0.5 MPa/°C) due to the small entropy difference between the parent and martensite phases in the Fe-Mn-Al-Ni alloy, and consequently, superelasticity can be obtained in a wide temperature range from cryogenic temperature to about 200 °C. Microstructural control is of great importance for obtaining superelasticity, and the relative grain size is among the most crucial factors.

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.)

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

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.

Processing and characterization of AlCoFeNiXTi{sub 0,5} (X = Mn, V) high entropy alloys; Processamento e caracterizacao de ligas de alta entropia AlCoFeNixTi{sub 0,5} (X = Mn, V)

Energy Technology Data Exchange (ETDEWEB)

Triveno Rios, C., E-mail: carlos.triveno@ufabc.edu.br [Universidade Federal do ABC (CECS/UFABC), Santo Andre, SP (Brazil). Engenharia de Materiais; Lopes, E.S.N.; Caram, R. [Universidade Estadual de Campinas (FEM/DEMA/UNICAMP), Campinas, SP (Brazil); Kiminami, C.S. [Universidade Federal de Sao Carlos (DEMa/UFSCar), Sao Carlos, SP (Brazil). Departamento de Engenharia de Materiais

2014-07-01

The microstructure of high entropy alloys consists of solid solution phases with FC and BCC simple structures, contrary to classical metallurgy where they form complex structures of intermetallic compounds. Because of this they have several attractive properties for engineering applications. In this work the AlCoFeNiMnTi{sub 0,5} and AlCoFeNiVTi{sub 0,5} alloys were processed by melting arc. Since the main objective was the microstructural and mechanical characterization of ingots as-cast. The alloys were characterized by scanning electron microscopy, X-ray diffraction, microhardness and cold compression test. The results showed that the microstructure consists mainly of dendrites and interdendritic regions consisting of metastable crystalline phases. It was also observed that the AlCoFeNiVTi{sub 0,5} alloy showed better mechanical properties than the AlCoFeNiMnTi{sub 0,5} alloy. This may be associated with differences in the parameters of formation of simple solid solution phases between the two alloys. (author)

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.

Soft magnetic properties and damping parameter of (FeCo-Al alloy thin films

Directory of Open Access Journals (Sweden)

Isao Kanada

2017-05-01

Full Text Available For high frequency device applications, a systematic study of the soft magnetic properties and magnetization dynamics of (FeCo-Al alloy thin films has been carried out. A low effective damping parameter αeff of 0.002 and a high saturation magnetization of about 1,800 emu/cc are obtained at y=0.2∼0.3 for (Fe1-yCoy98Al2 alloy thin films deposited onto fused silica and MgO(100 at an ambient temperature during deposition. Those films are of the bcc structure with the orientation normal to the film plane. They possess a columnar structure, grown along the film normal. The column width is found to be about 20 nm for y=0.25. It is concluded that the (FeCo-Al thin films with a damping parameter as low as 0.002 and high saturation magnetization of about 1,800 emu/cc have been successfully fabricated, and that they are potential for future high frequency device applications.

Self-organized nano-structuring of CoO islands on Fe(001)

Science.gov (United States)

Brambilla, A.; Picone, A.; Giannotti, D.; Riva, M.; Bussetti, G.; Berti, G.; Calloni, A.; Finazzi, M.; Ciccacci, F.; Duò, L.

2016-01-01

The realization of nanometer-scale structures through bottom-up strategies can be accomplished by exploiting a buried network of dislocations. We show that, by following appropriate growth steps in ultra-high vacuum molecular beam epitaxy, it is possible to grow nano-structured films of CoO coupled to Fe(001) substrates, with tunable sizes (both the lateral size and the maximum height scale linearly with coverage). The growth mode is discussed in terms of the evolution of surface morphology and chemical interactions as a function of the CoO thickness. Scanning tunneling microscopy measurements reveal that square mounds of CoO with lateral dimensions of less than 25 nm and heights below 10 atomic layers are obtained by growing few-nanometers-thick CoO films on a pre-oxidized Fe(001) surface covered by an ultra-thin Co buffer layer. In the early stages of growth, a network of misfit dislocations develops, which works as a template for the CoO nano-structuring. From a chemical point of view, at variance with typical CoO/Fe interfaces, neither Fe segregation at the surface nor Fe oxidation at the buried interface are observed, as seen by Auger electron spectroscopy and X-ray Photoemission Spectroscopy, respectively.

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.

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)

Enhancement of the Rate Capability of LiFePO4 by a New Highly Graphitic Carbon-Coating Method.

Science.gov (United States)

Song, Jianjun; Sun, Bing; Liu, Hao; Ma, Zhipeng; Chen, Zhouhao; Shao, Guangjie; Wang, Guoxiu

2016-06-22

Low lithium ion diffusivity and poor electronic conductivity are two major drawbacks for the wide application of LiFePO4 in high-power lithium ion batteries. In this work, we report a facile and efficient carbon-coating method to prepare LiFePO4/graphitic carbon composites by in situ carbonization of perylene-3,4,9,10-tetracarboxylic dianhydride during calcination. Perylene-3,4,9,10-tetracarboxylic dianhydride containing naphthalene rings can be easily converted to highly graphitic carbon during thermal treatment. The ultrathin layer of highly graphitic carbon coating drastically increased the electronic conductivity of LiFePO4. The short pathway along the [010] direction of LiFePO4 nanoplates could decrease the Li(+) ion diffusion path. In favor of the high electronic conductivity and short lithium ion diffusion distance, the LiFePO4/graphitic carbon composites exhibit an excellent cycling stability at high current rates at room temperature and superior performance at low temperature (-20 °C).

Solid-state reaction in Fe/V multilayers by ion beam mixing with thermal annealing

International Nuclear Information System (INIS)

Borges, J.F.M.; Costa, M.I. da Jr.; Teixeira, S.R.; Cunha, J.B.M. da; Alves, M.C.M.

2001-01-01

We report a study on the structural and magnetic properties of iron-vanadium thin films, originally grown in multilayer form [Fe(20 A)/V(20 A)] 20 , and mixed by ion beam mixing (IBM) and a subsequent thermal treatment. The samples were structurally characterised by X-ray diffraction (XRD) in the θ-2θ geometry and X-ray absorption spectroscopy (XAS). The magnetic characterisation was made using conversion electron Moessbauer spectroscopy (CEMS). The XRD result for the as-deposited multilayer shows a high-degree crystallinity, while CEMS suggests abrupt interface, since no significant contribution from vanadium in iron is observed. After the IBM and thermal treatment, the results from XRD show an FeV solid solution indexed as a bcc-disordered structure (α phase). XAS structural results are consistent with the XRD observations. CEMS results show a magnetic moment reduction for mixed samples

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

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.

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.

Electronic structures and magnetic properties of 3d and 4d transition-metal impurities in ferromagnetic Fe

CERN Document Server

Park, J H; Min, B I; Cho, H S

2000-01-01

Employing the self-consistent local approach, the tight-binding linear-muffin-tin orbital recursion method, we have investigated the electronic structures and the magnetic properties of 3d and 4d transition-metal (TM) impurities in ferromagnetic bcc Fe. In both 3d and 4d TM impurities, virtual bound states appear and are characterized by a high density of states in the energy spectrum. The characters of the states are studied by calculating the bond order between interaction orbitals. For early TM impurities, the states at the impurity sites have more antibonding characters, while the states at neighboring Fe sites have more bonding characters. For late TM impurities, the situation is reversed. late TM impurities of both the 3d and the 4d TM series have the same magnetic ordering as the host Fe atoms whereas early TM impurities have magnetic moments antiparallel to that of the host. As for the Mn impurity, an inward relaxation of neighboring Fe atoms stabilizes the antiferromagnetic ordering with respect to t...

Structural, microstructural and Mössbauer studies of nanocrystalline Fe100-x Alx powders elaborated by mechanical alloying

Directory of Open Access Journals (Sweden)

Akkouche K.

2012-06-01

Full Text Available Nanocrystalline Fe100-xAlx powders (x= 25, 30, 34 and 40 at % were prepared by the mechanical alloying process using a vario-planetary high-energy ball mill for a milling time of 35 h. The formation and physical properties of the alloys were investigated as a function of Al content by means of X-ray diffraction, scanning electron microscopy (SEM, energy dispersive X-ray and Mössbauer spectroscopy. For all Fe100-xAlx samples, the complete formation of bcc phase was observed after 35 h of milling. As Al content increases, the lattice parameter increases, whereas the grain size decreases from 106 to 12 nm. The powder particle morphology for different compositions was observed by SEM. The Mössbauer spectra were adjusted with a singlet line and a sextet containing two components. The singlet was attributed to the formation of paramagnetic A2 disordered structure rich with Al. About the sextet, the first component indicated the formation of Fe clusters/ Fe-rich phases; however, the second component is characteristic of disordered ferromagnetic phase.

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)

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

Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

Energy Technology Data Exchange (ETDEWEB)

Kaur, Maninder; Dai, Qilin; Bowden, Mark; Engelhard, Mark; Wu, Yaqiao; Tang, Jinke; Qiang, You

2013-01-01

Cr-doped core-shell Fe/Fe-oxide nanoclusters (NCs) were synthesized at varied atomic percentages of Cr from 0 at. % to 8 at. %. The low concentrations of Cr (<10 at. %) were selected in order to inhibit the complete conversion of the Fe-oxide shell to Cr2O3 and the Fe core to FeCr alloy. The magnetic interaction in Fe/Fe-oxide NCs (rv25 nm) can be controlled by antiferromagnetic Cr-dopant. We report the origin of r-FeCr phase at very low Cr concentration (2 at. %) unlike in previous studies, and the interaction reversal from dipolar to exchange interaction in watermelon-like Cr-doped core-shell NCs. The giant magnetoresistance (GMR) effect,1,2 where an antiferromagnetic (AFM) exchange coupling exists between two ferromagnetic (FM) layers separated by a certain type of magnetic or non-magnetic spacer,3 has significant potential for application in the magnetic recording industry. Soon after the discovery of the GMR, the magnetic properties of multilayer systems (FeCr) became a subject of intensive study. The application of bulk iron-chromium (Fe-Cr) alloys has been of great interest, as these alloys exhibit favorable prop- erties including corrosion resistance, high strength, hardness, low oxidation rate, and strength retention at elevated temper- ature. However, the structural and magnetic properties of Cr-doped Fe nanoclusters (NCs) have not been investigated in-depth. Of all NCs, Fe-based clusters have unique magnetic properties as well as favorable catalytic characteristics in reactivity, selectivity, and durability.4 The incorporation of dopant of varied type and concentration in Fe can modify its chemical ordering, thereby optimizing its electrical, optical, and magnetic properties and opening up many new applications. The substitution of an Fe atom (1.24 A°) by a Cr atom (1.25 A° ) can easily modify the magnetic properties, since (i) the curie temperature (Tc ) of Fe is 1043 K, while Cr is an itinerant AFM with a bulk Neel temperature TN =311 K, and (ii) Fe

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.

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.

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

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.

Subatomic deformation driven by vertical piezoelectricity from CdS ultrathin films.

Science.gov (United States)

Wang, Xuewen; He, Xuexia; Zhu, Hongfei; Sun, Linfeng; Fu, Wei; Wang, Xingli; Hoong, Lai Chee; Wang, Hong; Zeng, Qingsheng; Zhao, Wu; Wei, Jun; Jin, Zhong; Shen, Zexiang; Liu, Jie; Zhang, Ting; Liu, Zheng

2016-07-01

Driven by the development of high-performance piezoelectric materials, actuators become an important tool for positioning objects with high accuracy down to nanometer scale, and have been used for a wide variety of equipment, such as atomic force microscopy and scanning tunneling microscopy. However, positioning at the subatomic scale is still a great challenge. Ultrathin piezoelectric materials may pave the way to positioning an object with extreme precision. Using ultrathin CdS thin films, we demonstrate vertical piezoelectricity in atomic scale (three to five space lattices). With an in situ scanning Kelvin force microscopy and single and dual ac resonance tracking piezoelectric force microscopy, the vertical piezoelectric coefficient (d 33) up to 33 pm·V(-1) was determined for the CdS ultrathin films. These findings shed light on the design of next-generation sensors and microelectromechanical devices.

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

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

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...

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.

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

Morphologic, magnetic, and Moessbauer spectral properties of Fe75Co25 nanoparticles prepared by ultrasound-assisted electrochemistry

International Nuclear Information System (INIS)

Mancier, Valerie; Delplancke, J.-L.; Delwiche, Jacques; Hubin-Franskin, M.-J.; Piquer, Cristina; Rebbouh, Leila; Grandjean, Fernande

2004-01-01

Nanopowders of Fe 75 Co 25 alloys have been prepared by ultrasound-assisted electrochemistry. Their composition, crystallographic structure, morphology, have been studied by X-ray diffraction, transmission electron microscopy, X-ray fluorescence, and high-energy electron diffraction. The nanopowders are found to present a composition well determined by the electrolyte bath composition, they show a bcc structure. The iron and cobalt atoms exhibit a very homogeneous distribution in the particles. The magnetic properties of the nanopowders have been measured between 5 and 295 K with a vibrating sample magnetometer and their Moessbauer spectra have been obtained at 295 K. The saturation magnetization is characteristic of FeCo alloys. The magnetic behavior and transmission electron microscopy observations of the particles indicate strongly interacting particles with a radius of ca. 2-4 nm, particles which may form agglomerates of larger size. The measured average hyperfine field is situated at the maximum of the Slater-Pauling curve for the FeCo alloys

Ultra-thin film encapsulation processes for micro-electro-mechanical devices and systems

International Nuclear Information System (INIS)

Stoldt, Conrad R; Bright, Victor M

2006-01-01

A range of physical properties can be achieved in micro-electro-mechanical systems (MEMS) through their encapsulation with solid-state, ultra-thin coatings. This paper reviews the application of single source chemical vapour deposition and atomic layer deposition (ALD) in the growth of submicron films on polycrystalline silicon microstructures for the improvement of microscale reliability and performance. In particular, microstructure encapsulation with silicon carbide, tungsten, alumina and alumina-zinc oxide alloy ultra-thin films is highlighted, and the mechanical, electrical, tribological and chemical impact of these overlayers is detailed. The potential use of solid-state, ultra-thin coatings in commercial microsystems is explored using radio frequency MEMS as a case study for the ALD alloy alumina-zinc oxide thin film. (topical review)

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)

Giant electroresistance of super-tetragonal BiFeO3-based ferroelectric tunnel junctions.

Science.gov (United States)

Yamada, Hiroyuki; Garcia, Vincent; Fusil, Stéphane; Boyn, Sören; Marinova, Maya; Gloter, Alexandre; Xavier, Stéphane; Grollier, Julie; Jacquet, Eric; Carrétéro, Cécile; Deranlot, Cyrile; Bibes, Manuel; Barthélémy, Agnès

2013-06-25

Ferroelectric tunnel junctions enable a nondestructive readout of the ferroelectric state via a change of resistance induced by switching the ferroelectric polarization. We fabricated submicrometer solid-state ferroelectric tunnel junctions based on a recently discovered polymorph of BiFeO3 with giant axial ratio ("T-phase"). Applying voltage pulses to the junctions leads to the highest resistance changes (OFF/ON ratio >10,000) ever reported with ferroelectric tunnel junctions. Along with the good retention properties, this giant effect reinforces the interest in nonvolatile memories based on ferroelectric tunnel junctions. We also show that the changes in resistance scale with the nucleation and growth of ferroelectric domains in the ultrathin BiFeO3 (imaged by piezoresponse force microscopy), thereby suggesting potential as multilevel memory cells and memristors.

Microstructure and mechanical properties of ion-beam-produced Fe-Ti-(N), Fe-Ti-(C), and Fe-Ti-(C,N) surface films

Science.gov (United States)

Hirvonen, J.-P.; Nastasi, M.; Zocco, T. G.; Jervis, T. R.

1990-06-01

Ion-mixed films of Fe53 Ti47 were produced by ion irradiating a Fe-Ti multilayer structure on AISI 304 stainless steel. The ion-mixed films were subsequently implanted with nitrogen, carbon, or both carbon and nitrogen. The microstructure following nitrogen implantation consisted of a bcc solid solution of iron and titanium and finely dispersed TiN precipitates. In the cases of carbon or carbon and nitrogen implantation, a two-phase structure consisting of an amorphous matrix with TiC or Ti(C,N) precipitates was found. All these films initially possessed improved tribological properties as revealed by lowered friction and increased wear resistance. However, after an extended test of 1000 wear cycles, a reduced friction was only observed for the carbon or carbon and nitrogen implanted samples. The wear track on the dual implanted surface was extremely smooth, while the surface of the nitrogen-implanted sample was partly worn through, causing the friction to increase to the level of the untreated sample. The improved tribological properties of the implanted films are attributed to an increase in surface hardness. However, the surface hardness is unable to explain differences between different implantations. In the case of the dual carbon and nitrogen implantation, improvements appear to be in part the result from an increased capability to accommodate plastic deformation. These conclusions are supported by transmission electron microscope studies of the wear tracks as well as by nanoindentation measurements.

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.

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.

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

Controlled Growth of Ultrathin Film of Organic Semiconductors by Balancing the Competitive Processes in Dip-Coating for Organic Transistors.

Science.gov (United States)

Wu, Kunjie; Li, Hongwei; Li, Liqiang; Zhang, Suna; Chen, Xiaosong; Xu, Zeyang; Zhang, Xi; Hu, Wenping; Chi, Lifeng; Gao, Xike; Meng, Yancheng

2016-06-28

Ultrathin film with thickness below 15 nm of organic semiconductors provides excellent platform for some fundamental research and practical applications in the field of organic electronics. However, it is quite challenging to develop a general principle for the growth of uniform and continuous ultrathin film over large area. Dip-coating is a useful technique to prepare diverse structures of organic semiconductors, but the assembly of organic semiconductors in dip-coating is quite complicated, and there are no reports about the core rules for the growth of ultrathin film via dip-coating until now. In this work, we develop a general strategy for the growth of ultrathin film of organic semiconductor via dip-coating, which provides a relatively facile model to analyze the growth behavior. The balance between the three direct factors (nucleation rate, assembly rate, and recession rate) is the key to determine the growth of ultrathin film. Under the direction of this rule, ultrathin films of four organic semiconductors are obtained. The field-effect transistors constructed on the ultrathin film show good field-effect property. This work provides a general principle and systematic guideline to prepare ultrathin film of organic semiconductors via dip-coating, which would be highly meaningful for organic electronics as well as for the assembly of other materials via solution processes.

Atomistic modeling of an impurity element and a metal-impurity system: pure P and Fe-P system

International Nuclear Information System (INIS)

Ko, Won-Seok; Lee, Byeong-Joo; Kim, Nack J

2012-01-01

An interatomic potential for pure phosphorus, an element that has van der Waals, covalent and metallic bonding character, simultaneously, has been developed for the purpose of application to metal-phosphorus systems. As a simplification, the van der Waals interaction, which is less important in metal-phosphorus systems, was omitted in the parameterization process and potential formulation. On the basis of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential formalism applicable to both covalent and metallic materials, a potential that can describe various fundamental physical properties of a wide range of allotropic or transformed crystalline structures of pure phosphorus could be developed. The potential was then extended to the Fe-P binary system describing various physical properties of intermetallic compounds, bcc and liquid alloys, and also the segregation tendency of phosphorus on grain boundaries of bcc iron, in good agreement with experimental information. The suitability of the present potential and the parameterization process for atomic scale investigations about the effects of various non-metallic impurity elements on metal properties is demonstrated. (paper)

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

Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system

Directory of Open Access Journals (Sweden)

Udovskya A.

2012-01-01

Full Text Available The three- sub-lattice model (3SLM for description of atom’s distribution of two components with different coordination numbers (12, 14 and 15, into s-phase structure depended on composition and temperature is depictured in this paper. Energetic parameters of 3SLM were calculated by fitting procedure fixed to results obtained by ab-initio calculations conducted for paramagnetic states of differently ordered complexes stayed at the sigma-phase’s crystal structure for Fe-Cr system at 0 K. Respective algorithm and computer program have allowed to calculate an atom distribution of components upon the sub-lattices of s-phase at 300 - 1100 K. There is satisfactory agreement between calculated results and the experimental data obtained by neutron and structural research methods. Obtained results demonstrate satisfactory agreement between calculated and experimental data of BCC solutions and sigma - phase of the Fe-Cr system stayed at an equilibrium state.

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

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.

A novel needle-type sampling device for flexible ultrathin bronchoscopy

International Nuclear Information System (INIS)

Suda, Yuji; Hayashi, Katsutoshi; Shindoh, Yuriko; Iijima, Hideya; Tanaka, Akiko

2008-01-01

Diagnosis of suspected cancer in the periphery of the lung is difficult. A flexible ultrathin bronchoscope has been developed for the diagnosis of peripherally located pulmonary lesions that cannot be reached with the sampling devices for standard flexible bronchoscopes. The diagnostic yield with forceps and a brush for ultrathin bronchoscopes, however, is not adequate, especially when a lesion is not exposed to the bronchial lumen. We have thus developed a novel needle-type sampling device and tested its yield in transbronchial cytology. The device consists of an elongated dental H-file (0.4 mm in diameter and 110 cm in length), a housing sheath (1.0 mm in outer diameter), and a novel handle, which enables rapid out-and-in motion of the needle. Ten consecutive patients with a peripheral pulmonary lesion who had an indication for diagnostic procedure with a flexible ultrathin bronchoscope were enrolled. The optimal bronchial route to the lesion was analyzed with virtual bronchoscopy in a data set obtained with high-resolution computed tomography, and a novel bronchial route labeling system (prior-ridge-based relative orientation nomenclature) was employed to guide insertion of the bronchoscope. Sampling with the novel needle was performed prior to use of the forceps and brush under conventional fluoroscopy. In all the cases, sampling with the needle was successful and the amount of the specimen was sufficient for cytology. Our novel sampling system with flexible ultrathin bronchoscopes may contribute to accurate and minimally invasive diagnosis of peripheral pulmonary lesions. (author)

Effect of thermal cycling on the microstructure of a directionally solidified Fe, Cr, Al-TaC eutectic alloy

Science.gov (United States)

Harf, F. H.; Tewari, S. N.

1977-01-01

Cylindrical bars (1.2 cm diameter) of Fe-13.6Cr-3.7Al-9TaC (wt %) eutectic alloy were directionally solidified in a modified Bridgman type furnace at 1 cm/h. The alloy microstructure consisted of aligned TaC fibers imbedded in a bcc Fe-Cr-Al matrix. Specimens of the alloy were thermally cycled from 1100 to 425 C in a burner rig. The effects of 1800 thermal cycles on the microstructure was examined by scanning electron microscopy, revealing a zig-zag shape of TaC fibers aligned parallel to the growth direction. The mechanism of carbide solution and reprecipitation on the (111) easy growth planes, suggested previously to account for the development of irregular serrations in Co-Cr-Ni matrix alloys, is believed to be responsible for these zig-zag surfaces.

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

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.

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

Ultrathin Interface Regime of Core-Shell Magnetic Nanoparticles for Effective Magnetism Tailoring.

Science.gov (United States)

Moon, Seung Ho; Noh, Seung-Hyun; Lee, Jae-Hyun; Shin, Tae-Hyun; Lim, Yongjun; Cheon, Jinwoo

2017-02-08

The magnetic exchange coupling interaction between hard and soft magnetic phases has been important for tailoring nanoscale magnetism, but spin interactions at the core-shell interface have not been well studied. Here, we systematically investigated a new interface phenomenon termed enhanced spin canting (ESC), which is operative when the shell thickness becomes ultrathin, a few atomic layers, and exhibits a large enhancement of magnetic coercivity (H C ). We found that ESC arises not from the typical hard-soft exchange coupling but rather from the large magnetic surface anisotropy (K S ) of the ultrathin interface. Due to this large increase in magnetism, ultrathin core-shell nanoparticles overreach the theoretical limit of magnetic energy product ((BH) max ) and exhibit one of the largest values of specific loss power (SLP), which testifies to their potential capability as an effective mediator of magnetic energy conversion.

Microstructure and magnetic properties of nanostructured (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} alloy produced by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Boukherroub, N. [UR-MPE, M' hamed Bougara University, Boumerdes 35000 (Algeria); Guittoum, A., E-mail: aguittoum@gmail.com [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399 Alger-Gare, Algiers (Algeria); Laggoun, A. [UR-MPE, M' hamed Bougara University, Boumerdes 35000 (Algeria); Hemmous, M. [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399 Alger-Gare, Algiers (Algeria); Martínez-Blanco, D. [SCTs, University of Oviedo, EPM, 33600 Mieres (Spain); Blanco, J.A. [Department of Physics, University of Oviedo, Calvo Sotelo St., 33007 Oviedo (Spain); Souami, N. [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399 Alger-Gare, Algiers (Algeria); Gorria, P. [Department of Physics and IUTA, EPI, University of Oviedo, 33203 Gijón (Spain); Bourzami, A. [Laboratoire d' Etudes des Surfaces et Interfaces des Matériaux Solides (LESIMS), Université Sétif1, 19000 Sétif (Algeria); Lenoble, O. [Institut Jean Lamour, CNRS-Université de Lorraine, Boulevard des aiguillettes, BP 70239, F-54506 Vandoeuvre lès Nancy (France)

2015-07-01

We report on how the microstructure and the silicon content of nanocrystalline ternary (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} powders (x=0, 5, 10, 15 and 20 at%) elaborated by high energy ball milling affect the magnetic properties of these alloys. The formation of a single-phase alloy with body centred cubic (bcc) crystal structure is completed after 72 h of milling time for all the compositions. This bcc phase is in fact a disordered Fe(Al,Si) solid solution with a lattice parameter that reduces its value almost linearly as the Si content is increased, from about 2.9 Å in the binary Fe{sub 80}Al{sub 20} alloy to 2.85 Å in the powder with x=20. The average nanocrystalline grain size also decreases linearly down to 10 nm for x=20, being roughly half of the value for the binary alloy, while the microstrain is somewhat enlarged. Mössbauer spectra show a sextet thus suggesting that the disordered Fe(Al,Si) solid solution is ferromagnetic at room temperature. However, the average hyperfine field diminishes from 27 T (x=0) to 16 T (x=20), and a paramagnetic doublet is observed for the powders with higher Si content. These results together with the evolution of both the saturation magnetization and the coercive field are discussed in terms of intrinsic and extrinsic properties. - Highlights: • Single-phase nanocrystalline (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} (x=0, 5, 10, 15 and 20 at%) powders were successfully fabricated by mechanical alloying for a milling time of 72 h. • The insertion of Si atoms leads to a unit-cell contraction and a decrease in the average crystallite size. • The hyperfine and magnetic properties of (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} were influenced by the Si content.

Spinel FeCo2S4 nanoflower arrays grown on Ni foam as novel binder-free electrodes for long-cycle-life supercapacitors

Science.gov (United States)

Deng, Cuifen; Yang, Lishan; Yang, Chunming; Shen, Ping; Zhao, Liping; Wang, Zhiyu; Wang, Chunhui; Li, Junhua; Qian, Dong

2018-01-01

Spinel FeCo2S4 nanoflower arrays grown on Ni foam (FeCo2S4@Ni) have been successfully fabricated via a facile hydrothermal sulfurization of the corresponding FeCo2O4 precursor. The results of X-ray diffraction and X-ray photoelectron spectroscopy characterizations affirm that partial Co2+/Co3+ ions in Co3S4 have been substituted by Fe2+/Fe3+ ions to form FeCo2S4. The obtained FeCo2S4@Ni exhibits an ultrahigh specific capacitance (1644.07 mF cm-2 at 50 mA cm-2) and a supreme cycling stability (∼100% after 10,000 cycles at 50 mA cm-2) as binder-free electrodes for supercapacitors. The cycling stability of the fabricated product is the highest among the documented ternary metallic sulfides so far. The excellent supercapacitive performance of FeCo2S4@Ni emanates from the unique architectures of Fe2Co2S4 nanoflower arrays constituted by ultrathin nanoflakes, three-dimensional porous and conductive Ni foam, and solid skeleton of Ni foam for robust connections to the Fe2Co2S4.

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.

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)

X-ray photoemission spectroscopy investigation of the early stages of the oxygen aided Cr growth on Fe(0 0 1)

Energy Technology Data Exchange (ETDEWEB)

Brambilla, A., E-mail: alberto.brambilla@polimi.it [CNISM and Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo Da Vinci 32, 20133 Milano (Italy); Calloni, A.; Picone, A.; Finazzi, M.; Duò, L.; Ciccacci, F. [CNISM and Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo Da Vinci 32, 20133 Milano (Italy)

2013-02-15

We report on an X-ray photoemission spectroscopy investigation of the early stages of growth of ultra-thin Cr films on the oxygen-passivated Fe(0 0 1)–p(1 × 1)O surface. The Cr coverages ranged from sub-monolayer up to a few atomic layers. Cr has been grown either at 380 K or at 570 K. Our investigation reveals that during the Cr film growth oxygen floats toward the free surface. The presence of a metallic Cr signal from the very beginning of film growth is discussed in relation to Cr–Fe intermixing and alloy formation at the interface. Our findings are independent from the growth temperature, indicating that it has a very little influence on the chemical interactions at the interface, at variance with the oxygen-free Cr/Fe interface.

X-ray photoemission spectroscopy investigation of the early stages of the oxygen aided Cr growth on Fe(0 0 1)

International Nuclear Information System (INIS)

Brambilla, A.; Calloni, A.; Picone, A.; Finazzi, M.; Duò, L.; Ciccacci, F.

2013-01-01

We report on an X-ray photoemission spectroscopy investigation of the early stages of growth of ultra-thin Cr films on the oxygen-passivated Fe(0 0 1)–p(1 × 1)O surface. The Cr coverages ranged from sub-monolayer up to a few atomic layers. Cr has been grown either at 380 K or at 570 K. Our investigation reveals that during the Cr film growth oxygen floats toward the free surface. The presence of a metallic Cr signal from the very beginning of film growth is discussed in relation to Cr–Fe intermixing and alloy formation at the interface. Our findings are independent from the growth temperature, indicating that it has a very little influence on the chemical interactions at the interface, at variance with the oxygen-free Cr/Fe interface.

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.

Structure and mechanical properties of as-cast Ti-5Nb-xFe alloys

International Nuclear Information System (INIS)

Hsu, Hsueh-Chuan; Hsu, Shih-Kuang; Wu, Shih-Ching; Lee, Chih-Jhan; Ho, Wen-Fu

2010-01-01

In this study, as-cast Ti-5Nb and a series of Ti-5Nb-xFe alloys were investigated and compared with commercially pure titanium (c.p. Ti) in order to determine their structure and mechanical properties. The series of Ti-5Nb-xFe alloys contained an iron content ranging from 1 to 5 mass% and were prepared by using a commercial arc-melting vacuum-pressure casting system. Additionally, X-ray diffraction (XRD) for phase analysis was conducted with a diffractometer, and three-point bending tests were performed to evaluate the mechanical properties of all specimens. The fractured surfaces were observed by using scanning electron microscopy (SEM). The experimental results indicated that these alloys possessed a range of different structures and mechanical properties dependent upon the various additions of Fe. With an addition of 1 mass% Fe, retention of the metastable β phase began. However, when 4 mass% Fe or greater was added, the β phase was entirely retained with a bcc crystal structure. Moreover, the ω phase was only detected in the Ti-5Nb-2Fe, Ti-5Nb-3Fe and Ti-5Nb-4Fe alloys. The largest quantity of ω phase and the highest bending modulus were found in the Ti-5Nb-3Fe alloy. The Ti-5Nb-2Fe alloy had the lowest bending modulus, which was lower than that of c.p. Ti by 20%. This alloy exhibited the highest bending strength/modulus ratio of 26.7, which was higher than that of c.p. Ti by 214%, and of the Ti-5Nb alloy (14.4 ) by 85%. Additionally, the elastically recoverable angles of the ductile Ti-5Nb-1Fe (19.9 o ) and Ti-5Nb-5Fe (29.5 o ) alloys were greater than that of c.p. Ti (2.7 o ) by as much as 637% and 993%, respectively. Furthermore, the preliminary cell culturing results revealed that the Ti-5Nb-xFe alloys were not only biocompatible, but also supported cell attachment.

Structure and mechanical properties of as-cast Ti-5Nb-xFe alloys

Energy Technology Data Exchange (ETDEWEB)

Hsu, Hsueh-Chuan; Hsu, Shih-Kuang; Wu, Shih-Ching [Department of Dental Laboratory Technology, Central Taiwan University of Science and Technology, Taichung 40605, Taiwan (China); Institute of Biomedical Engineering and Material Science, Central Taiwan University of Science and Technology, Changhua 51591, Taiwan (China); Lee, Chih-Jhan [Department of Materials Science and Engineering, Da-Yeh University, Changhua 51591, Taiwan (China); Ho, Wen-Fu, E-mail: fujii@mail.dyu.edu.tw [Department of Materials Science and Engineering, Da-Yeh University, Changhua 51591, Taiwan (China)

2010-09-15

In this study, as-cast Ti-5Nb and a series of Ti-5Nb-xFe alloys were investigated and compared with commercially pure titanium (c.p. Ti) in order to determine their structure and mechanical properties. The series of Ti-5Nb-xFe alloys contained an iron content ranging from 1 to 5 mass% and were prepared by using a commercial arc-melting vacuum-pressure casting system. Additionally, X-ray diffraction (XRD) for phase analysis was conducted with a diffractometer, and three-point bending tests were performed to evaluate the mechanical properties of all specimens. The fractured surfaces were observed by using scanning electron microscopy (SEM). The experimental results indicated that these alloys possessed a range of different structures and mechanical properties dependent upon the various additions of Fe. With an addition of 1 mass% Fe, retention of the metastable {beta} phase began. However, when 4 mass% Fe or greater was added, the {beta} phase was entirely retained with a bcc crystal structure. Moreover, the {omega} phase was only detected in the Ti-5Nb-2Fe, Ti-5Nb-3Fe and Ti-5Nb-4Fe alloys. The largest quantity of {omega} phase and the highest bending modulus were found in the Ti-5Nb-3Fe alloy. The Ti-5Nb-2Fe alloy had the lowest bending modulus, which was lower than that of c.p. Ti by 20%. This alloy exhibited the highest bending strength/modulus ratio of 26.7, which was higher than that of c.p. Ti by 214%, and of the Ti-5Nb alloy (14.4 ) by 85%. Additionally, the elastically recoverable angles of the ductile Ti-5Nb-1Fe (19.9{sup o}) and Ti-5Nb-5Fe (29.5{sup o}) alloys were greater than that of c.p. Ti (2.7{sup o}) by as much as 637% and 993%, respectively. Furthermore, the preliminary cell culturing results revealed that the Ti-5Nb-xFe alloys were not only biocompatible, but also supported cell attachment.

X-ray studies of interface Fe-oxide in annealed MgO based magnetic tunneling junctions

Energy Technology Data Exchange (ETDEWEB)

Telesca, D., E-mail: donaldtelesca@gmail.com [Department of Physics, University of Connecticut, 2152 Hillside Road, Storrs, CT 06269 (United States); Space Vehicles Directorate, Air Force Research Lab (AFRL), Kirtland AFB, NM 87117 (United States); Sinkovic, B. [Space Vehicles Directorate, Air Force Research Lab (AFRL), Kirtland AFB, NM 87117 (United States); Yang, See-Hun; Parkin, S.S.P. [IBM Amaden Research Center, 650 Harry Road, San Jose, CA 95120 (United States)

2012-08-15

Highlights: Black-Right-Pointing-Pointer This work concludes the presence of oxide in MgO/transition-metal bi-layers. Black-Right-Pointing-Pointer Thermal annealing causes a possible structural transformation of the oxide. Black-Right-Pointing-Pointer This is first evidence for a possible structural change of the oxide. Black-Right-Pointing-Pointer First use of the O K-edge XAS signature of TM oxides to confirm presence of oxide. Black-Right-Pointing-Pointer We see a diffusion of oxygen and a decrease in interface roughness. -- Abstract: X-ray absorption spectroscopy and X-ray scattering have been used to determine the oxidation reactions at the buried MgO/Fe interface as a result of the deposition of MgO. We confirm that Fe-oxide is present at the MgO/Fe and MgO/CoFe interfaces and amounts to less than 1 mL in thickness. The Fe-oxide is a mixture of different iron oxide phases within the ultra-thin layer which can be reduced following annealing. We observe the transformation of the interfacial oxide from a more Fe{sub 2}O{sub 3}-like phase to a more FeO-like phase following annealing, and that this process is most noticeable between the 200 and 350 Degree-Sign C annealing steps. In addition, the formation of a more bulk like MgO electronic structure following annealing was observed.

Reliability assessment of ultra-thin HfO2 films deposited on silicon wafer

International Nuclear Information System (INIS)

Fu, Wei-En; Chang, Chia-Wei; Chang, Yong-Qing; Yao, Chih-Kai; Liao, Jiunn-Der

2012-01-01

Highlights: ► Nano-mechanical properties on annealed ultra-thin HfO 2 film are studied. ► By AFM analysis, hardness of the crystallized HfO 2 film significantly increases. ► By nano-indention, the film hardness increases with less contact stiffness. ► Quality assessment on the annealed ultra-thin films can thus be achieved. - Abstract: Ultra-thin hafnium dioxide (HfO 2 ) is used to replace silicon dioxide to meet the required transistor feature size in advanced semiconductor industry. The process integration compatibility and long-term reliability for the transistors depend on the mechanical performance of ultra-thin HfO 2 films. The criteria of reliability including wear resistance, thermal fatigue, and stress-driven failure rely on film adhesion significantly. The adhesion and variations in mechanical properties induced by thermal annealing of the ultra-thin HfO 2 films deposited on silicon wafers (HfO 2 /SiO 2 /Si) are not fully understood. In this work, the mechanical properties of an atomic layer deposited HfO 2 (nominal thickness ≈10 nm) on a silicon wafer were characterized by the diamond-coated tip of an atomic force microscope and compared with those of annealed samples. The results indicate that the annealing process leads to the formation of crystallized HfO 2 phases for the atomic layer deposited HfO 2 . The HfSi x O y complex formed at the interface between HfO 2 and SiO 2 /Si, where the thermal diffusion of Hf, Si, and O atoms occurred. The annealing process increases the surface hardness of crystallized HfO 2 film and therefore the resistance to nano-scratches. In addition, the annealing process significantly decreases the harmonic contact stiffness (or thereafter eliminate the stress at the interface) and increases the nano-hardness, as measured by vertically sensitive nano-indentation. Quality assessments on as-deposited and annealed HfO 2 films can be thereafter used to estimate the mechanical properties and adhesion of ultra-thin HfO 2

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

Self-Assembly of Antisite Defectless nano-LiFePO4 @C/Reduced Graphene Oxide Microspheres for High-Performance Lithium-Ion Batteries.

Science.gov (United States)

Wang, Hongbin; Liu, Lijia; Wang, Runwei; Yan, Xiao; Wang, Ziqi; Hu, Jiangtao; Chen, Haibiao; Jiang, Shang; Ni, Ling; Qiu, Hailong; Tang, Haitong; Wei, Yingjin; Zhang, Zongtao; Qiu, Shilun; Pan, Feng

2018-05-18

LiFePO 4 @C/reduced graphene oxide (rGO) hierarchical microspheres with superior electrochemical activity and a high tap density were first synthesized by using a Fe 3+ -based single inorganic precursor (LiFePO 4 OH@RF/GO; RF=resorcinol-formaldehyde, GO=graphene oxide) obtained from a template-free self-assembly synthesis followed by direct calcination. The synthetic process requires no physical mixing step. The phase transformation pathway from tavorite LiFePO 4 OH to olivine LiFePO 4 upon calcination was determined by means of the in situ high-temperature XRD technique. Benefitting from the unique structure of the material, these microspheres can be densely packed together, giving a high tap density of 1.3 g cm -3 , and simultaneously, defectless LiFePO 4 primary nanocrystals modified with a highly conductive surface carbon layer and ultrathin rGO provide good electronic and ionic kinetics for fast electron/Li + ion transport. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Microstructure and Tribological Properties of AlCoCrFeNiTi0.5 High-Entropy Alloy in Hydrogen Peroxide Solution

Science.gov (United States)

Yu, Y.; Liu, W. M.; Zhang, T. B.; Li, J. S.; Wang, J.; Kou, H. C.; Li, J.

2014-01-01

Microstructure and tribological properties of an AlCoCrFeNiTi0.5 high-entropy alloy in high-concentration hydrogen peroxide solution were investigated in this work. The results show that the sigma phase precipitates and the content of bcc2 decrease during the annealing process. Meanwhile, the complex construction of the interdendrite region changes into simple isolated-island shape, and much more spherical precipitates are formed. Those changes of microstructure during the annealing process lead to the increase of hardness of this alloy. In the testing conditions, the AlCoCrFeNiTi0.5 alloy shows smoother worn surfaces and steadier coefficient of friction curves than does the 1Cr18Ni9Ti stainless steel, and SiC ceramic preserves better wear resistance than ZrO2 ceramic. After annealing, the wear resistance of the AlCoCrFeNiTi0.5 alloy increases coupled with SiC counterface but decreases with ZrO2 counterface.

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.

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.

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)

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...

Universal liquid-phase laser fabrication of various nano-metals encapsulated by ultrathin carbon shells for deep-UV plasmonics.

Science.gov (United States)

Yu, Miao; Yang, Chao; Li, Xiao-Ming; Lei, Tian-Yu; Sun, Hao-Xuan; Dai, Li-Ping; Gu, Yu; Ning, Xue; Zhou, Ting; Wang, Chao; Zeng, Hai-Bo; Xiong, Jie

2017-06-29

The exploration of localized surface plasmon resonance (LSPR) beyond the usual visible waveband, for example within the ultraviolet (UV) or deep-ultraviolet (D-UV) regions, is of great significance due to its unique applications in secret communications and optics. However, it is still challenging to universally synthesize the corresponding metal nanostructures due to their high activity. Herein, we report a universal, eco-friendly, facile and rapid synthesis of various nano-metals encapsulated by ultrathin carbon shells, significantly with a remarkable deep-UV LSPR characteristic, via a liquid-phase laser fabrication method. Firstly, a new generation of the laser ablation in liquid (LAL) method has been developed with an emphasis on the elaborate selection of solvents to generate ultrathin carbon shells, and hence to stabilize the formed metal nanocrystals. As a result, a series of metal@carbon nanoparticles (NPs), including Cr@C, Ti@C, Fe@C, V@C, Al@C, Sn@C, Mn@C and Pd@C, can be fabricated by this modified LAL method. Interestingly, these NPs exhibit LSPR peaks in the range of 200-330 nm, which are very rare for localized surface plasmon resonance. Consequently, the UV plasmonic effects of these metal@carbon NPs were demonstrated both by the observed enhancement in UV photoluminescence (PL) from the carbon nanoshells and by the improvement of the photo-responsivity of UV GaN photodetectors. This work could provide a universal method for carbon shelled metal NPs and expand plasmonics into the D-UV waveband.

Valence electron structure analysis of the cubic silicide intermetallics in rapidly solidified Al-Fe-V-Si alloy

International Nuclear Information System (INIS)

Wang, J.Q.; Qian, C.F.; Zhang, B.J.; Tseng, M.K.; Xiong, S.W.

1996-01-01

The application of rapid solidification for the development of elevated temperature aluminum alloys has resulted in the emergence of several alloys based on the Al-Fe alloy system. Of particular interest are Al-Fe-V-Si alloys which have excellent room temperature and high temperature mechanical properties. In a pioneering study, Skinner et al. showed the stabilization of the cubic phase in ternary Al-Fe-Si alloy by the addition of a quaternary element, vanadium. The evolution of the microstructure in these alloys both during rapid solidification and subsequent processing is of crucial importance. Kim has demonstrated that the composition of the silicide phase in rapidly solidified Al-Fe-V-Si alloy is very close to Al 12 (Fe,V) 3 Si with the body centered cubic (bcc) structure. The structure is closely related to that of quasicrystals.In view of the structural features and the relationship between the α 12 and α 13 phases, the researching emphasis should firstly be put on the α 12 phase. In this paper the authors analyzed the α -(AlFeSi)(α 12 -type) phase from the angle of atomic valence electron structure other than the traditional methods of obtaining the diffraction spots of the phase. Several pieces of information were obtained about the hybrid levels and bond natures of every kind of atom in the α -(AlFeSi) phase. Finally the authors explained the phenomenon which V atom can substitute for Fe atom in the α 12 phase and improve the thermal stability of the phase in Al-Fe-V-Si alloy

Time evolution of morphology in mechanically alloyed Fe-Cu

KAUST Repository

Wille, Catharina Gabriele

2011-05-01

Being widely accessible as well as already utilised in many applications, Fe-Cu acts as an ideal binary model alloy to elaborate the enforced nonequilibrium enhanced solubility in such a solution system that shows a limited regime of miscibility and characterised by a large positive heat of mixing. In addition to the detailed analysis of ball milled Fe-Cu powders by means of Atom Probe Tomography (APT), site specific structural analysis has been performed in this study using Transmission Electron Microscopy (TEM).In this contribution results on powders with low Cu concentrations (2.5-10 at%) are presented. Combining a ductile element (Cu, fcc) and a brittle one (Fe, bcc), striking differences in morphology were expected and found on all length-scales, depending on the mixing ratio of the two elements. However, not only could the atomic mixing of Fe and Cu be evaluated, but also the distribution of impurities, mostly stemming from the fabrication procedure. The combination of APT and TEM enables a correlation between the structural evolution and the chemical mixing during the milling process. For the first time, a clear distinction can be drawn between the morphological evolution at the surface and in the interior of the powder particles. This became possible owing to the site specific sample preparation of TEM lamellae by Focussed Ion Beam (FIB). Surprisingly, the texture arising from the ball milling process can directly be related to the classical rolling texture of cold rolled Fe. In addition, full homogeneity can be achieved even on the nano-scale for this material as shown by APT, resulting in an extended miscibility region in comparison to the equilibrium phase diagram. Grain sizes were determined by means of XRD and TEM. The strain corrected XRD results are in very good agreement with the values derived by TEM, both confirming a truly nanocrystalline structure. © 2011 Elsevier B.V.

Role of an ultrathin platinum seed layer in antiferromagnet-based perpendicular exchange coupling and its electrical manipulation

Energy Technology Data Exchange (ETDEWEB)

Wang, Y.Y., E-mail: wangyy@buaa.edu.cn [Department of Physics, Beihang University, Beijing 100191 (China); Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Song, C., E-mail: songcheng@mail.tsinghua.edu.cn [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Zhang, J.Y. [Department of Physics, Beihang University, Beijing 100191 (China); Pan, F. [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)

2017-04-15

The requirement for low-power consumption advances the development of antiferromagnetic (AFM) spintronics manipulated by electric fields. Here we report an electrical manipulation of metallic AFM moments within IrMn/[Co/Pt] by interface engineering, where ultrathin non-magnetic metals are highlighted between IrMn and ferroelectric substrates. Ultrathin Pt seed layers are proved to be vital in elevating the blocking temperature and enhancing the perpendicular exchange coupling through modulating the domain structures of as-prepared IrMn AFM. Further electrical manipulations of perpendicular magnetic anisotropy crucially verify the indispensable role of pre-deposited ultrathin Pt layers in modulating IrMn antiferromagnetic moments, which is confirmed by the intimate correlation between the electrically manipulating AFM and improving its blocking temperature. Instead of immediate contact between IrMn AFM and ferroelectric substrates in a conventional way, interface engineering by adopting ultrathin seed layers here adds a new twist to the electrical modulation of AFM metals. This would provide scientific basis on how to manipulate AFM moments and optimize the design of practical AFM spintronics. - Highlights: • An alternative for manipulating antiferromagnet by interface engineering is provided. • Ultrathin Pt seed layers are vital in elevating the blocking temperature of IrMn. • Perpendicular exchange coupling in IrMn/[Co/Pt] can be modulated by seed layers. • Ultrathin Pt seed layers enable electrical control of perpendicular exchange coupling.

Role of an ultrathin platinum seed layer in antiferromagnet-based perpendicular exchange coupling and its electrical manipulation

International Nuclear Information System (INIS)

Wang, Y.Y.; Song, C.; Zhang, J.Y.; Pan, F.

2017-01-01

The requirement for low-power consumption advances the development of antiferromagnetic (AFM) spintronics manipulated by electric fields. Here we report an electrical manipulation of metallic AFM moments within IrMn/[Co/Pt] by interface engineering, where ultrathin non-magnetic metals are highlighted between IrMn and ferroelectric substrates. Ultrathin Pt seed layers are proved to be vital in elevating the blocking temperature and enhancing the perpendicular exchange coupling through modulating the domain structures of as-prepared IrMn AFM. Further electrical manipulations of perpendicular magnetic anisotropy crucially verify the indispensable role of pre-deposited ultrathin Pt layers in modulating IrMn antiferromagnetic moments, which is confirmed by the intimate correlation between the electrically manipulating AFM and improving its blocking temperature. Instead of immediate contact between IrMn AFM and ferroelectric substrates in a conventional way, interface engineering by adopting ultrathin seed layers here adds a new twist to the electrical modulation of AFM metals. This would provide scientific basis on how to manipulate AFM moments and optimize the design of practical AFM spintronics. - Highlights: • An alternative for manipulating antiferromagnet by interface engineering is provided. • Ultrathin Pt seed layers are vital in elevating the blocking temperature of IrMn. • Perpendicular exchange coupling in IrMn/[Co/Pt] can be modulated by seed layers. • Ultrathin Pt seed layers enable electrical control of perpendicular exchange coupling.

Magnetic properties of ball-milled Fe0.6Mn0.1Al0.3 alloys

International Nuclear Information System (INIS)

Rebolledo, A.F.; Romero, J.J.; Cuadrado, R.; Gonzalez, J.M.; Pigazo, F.; Palomares, F.J.; Medina, M.H.; Perez Alcazar, G.A.

2007-01-01

The FeMnAl-disordered alloy system exhibits, depending on the composition and the temperature, a rich variety of magnetic phases including the occurrence of ferromagnetism, antiferromagnetism, paramagnetism and spin-glass and reentrant spin glass behaviors. These latter phases result from the presence of atomic disorder and magnetic dilution and from the competing exchange interactions taking place between an Fe atom and its Mn and Fe first neighbors. The use of mechanical alloying in order to prepare these alloys is specially interesting since it allows to introduce in a progressive way large amounts of disorder. In this work, we describe the evolution with the milling time of the temperature dependence of the magnetic properties of mechanically alloyed Fe 0.6 Mn 0.1 Al 0.3 samples. The materials were prepared in a planetary ball mill using a balls-to-powder mass ratio of 15:1 and pure (99.95 at%) Fe, Mn and Al powders for times up to 19 h. The X-rays diffraction (XRD) spectra show the coexistence of three phases at short milling times. For milling times over 6 h, only the FeMnAl ternary alloy BCC phase is observed. Moesbauer spectroscopy reveals the complete formation of the FeMnAl alloy after 9 h milling time. The magnetic characterization showed that all the samples were ferromagnetic at room temperature with coercivities decreasing from 105 Oe (3 h milled sample) down to 5 Oe in the case of the sample milled for 19 h

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

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.

Ferromagnetic resonance of facing-target sputtered epitaxial γ‧-Fe4N films: the influence of thickness and substrates

Science.gov (United States)

Lai, Zhengxun; Li, Zirun; Liu, Xiang; Bai, Lihui; Tian, Yufeng; Mi, Wenbo

2018-06-01

The microstructure and high frequency properties of facing-target sputtered epitaxial γ‧-Fe4N films were investigated in detail. It was found that the eddy current in ultrathin γ‧-Fe4N films is too small to influence the ferromagnetic resonance (FMR) linewidth, where the linewidth is mostly determined by intrinsic damping and the two-magnon scattering (TMS) process. In relatively thick films, the TMS process can significantly affect the linewidth due to the roughness on the sample surface. However, the TMS process in a thin film is quite weak because of its smooth surface. The Gilbert damping constant of about 0.0135 in our γ‧-Fe4N films is smaller than the experimental value in the previous work. Moreover, substrates can also influence the FMR linewidth of the γ‧-Fe4N films by the TMS process. Besides, the resonance field of polycrystalline γ‧-Fe4N film is larger than the epitaxial ones because of the lack of a magnetic anisotropic field, but the linewidth of the polycrystalline γ‧-Fe4N film is smaller.

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.

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

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

Photoresponsive layer-by-layer ultrathin films prepared from a hyperbranched azobenzene-containing polymeric diazonium salt

International Nuclear Information System (INIS)

Li Xinyang; Fan Pengwei; Tuo Xinlin; He Yaning; Wang Xiaogong

2009-01-01

In this work, a hyperbranched diazonium salt (HB-DAS), prepared through azo-coupling reaction of an AB 2 monomer (N, N-bis[2-(4-aminobenzoyloxy)ethyl]aniline), was used to prepare self-assembled multilayers and ultrathin films. Multilayer films were fabricated by dipping substrates in HB-DAS and other polyelectrolyte solutions alternately in a layer-by-layer (LBL) manner. It was somewhat surprising to observe that HB-DAS forms multilayer films with either a polyanion (poly(styrenesulfonate sodium salt), PSS) or a polycation (poly(diallyldimethylammonium chloride), PDAC) through alternate deposition in the solutions. Ultrathin films were formed in a sequential growth manner by dipping the substrates in the HB-DAS solution, washing with deionized water and drying repeatedly. In all the processes, the absorbance and thickness of the thin films linearly increase as the number of the dipping cycle increases. HB-DAS/PSS multilayer possesses an obviously larger bilayer thickness and lower density compared with the other two counterparts. The drying step after each deposition is necessary for the HB-DAS ultrathin film growth through the repeated dip-coating of HB-DAS. The multilayer and ultrathin films prepared by the above methods all show high resistance to erosion by organic solvents. The multilayers and ultrathin films exhibit photoinduced dichroism upon the irradiation of a polarized Ar + laser beam

Photoresponsive layer-by-layer ultrathin films prepared from a hyperbranched azobenzene-containing polymeric diazonium salt

Energy Technology Data Exchange (ETDEWEB)

Li Xinyang; Fan Pengwei; Tuo Xinlin; He Yaning [Department of Chemical Engineering, Laboratory for Advanced Materials, Tsinghua University, Beijing, 100084 (China); Wang Xiaogong [Department of Chemical Engineering, Laboratory for Advanced Materials, Tsinghua University, Beijing, 100084 (China)], E-mail: wxg-dce@mail.tsinghua.edu.cn

2009-01-30

In this work, a hyperbranched diazonium salt (HB-DAS), prepared through azo-coupling reaction of an AB{sub 2} monomer (N, N-bis[2-(4-aminobenzoyloxy)ethyl]aniline), was used to prepare self-assembled multilayers and ultrathin films. Multilayer films were fabricated by dipping substrates in HB-DAS and other polyelectrolyte solutions alternately in a layer-by-layer (LBL) manner. It was somewhat surprising to observe that HB-DAS forms multilayer films with either a polyanion (poly(styrenesulfonate sodium salt), PSS) or a polycation (poly(diallyldimethylammonium chloride), PDAC) through alternate deposition in the solutions. Ultrathin films were formed in a sequential growth manner by dipping the substrates in the HB-DAS solution, washing with deionized water and drying repeatedly. In all the processes, the absorbance and thickness of the thin films linearly increase as the number of the dipping cycle increases. HB-DAS/PSS multilayer possesses an obviously larger bilayer thickness and lower density compared with the other two counterparts. The drying step after each deposition is necessary for the HB-DAS ultrathin film growth through the repeated dip-coating of HB-DAS. The multilayer and ultrathin films prepared by the above methods all show high resistance to erosion by organic solvents. The multilayers and ultrathin films exhibit photoinduced dichroism upon the irradiation of a polarized Ar{sup +} laser beam.

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.

Synthesis of FeCo magnetic nanoalloys and investigation of heating properties for magnetic fluid hyperthermia

Science.gov (United States)

Çelik, Özer; Fırat, Tezer

2018-06-01

In this study, size controlled FeCo colloidal magnetic nanoalloys in the range of 11.5-37.2 nm were synthesized by surfactant assistant ball milling method. Magnetic separation technique was performed subsequent to synthesis process so as to obtain magnetic nanoalloy fluid with narrow size distribution. Particle distribution was determined by transmission electron microscope (TEM) while X-ray diffraction (XRD) measurements verified FeCo alloy formation as BCC structure. Vibrating sample magnetometer (VSM) method was used to investigate magnetic properties of nanoalloys. Maximum saturation magnetization and maximum coercivity were obtained as 172 Am2/kg for nanoparticles with the mean size of 37.2 nm and 19.4 mT for nanoparticles with the mean size of 13.3 nm, respectively. The heating ability of FeCo magnetic nanoalloys was determined through calorimetrical measurements for magnetic fluid hyperthermia (MFH) applications. Heat generation mechanisms were investigated by using linear response theory and Stoner-Wohlfarth (S-W) model. Specific absorption rate (SAR) values were obtained in the range of 2-15 W/g for magnetic field frequency of 171 kHz and magnetic field strength in between 6 and 14 mT.

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

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)

SERS active Ag encapsulated Fe@SiO2 nanorods in electromagnetic wave absorption and crystal violet detection.

Science.gov (United States)

Senapati, Samarpita; Srivastava, Suneel Kumar; Singh, Shiv Brat; Kulkarni, Ajit R

2014-11-01

The present work is focused on the preparation of Fe nanorods by the chemical reduction of FeCl3 (aq) using NaBH4 in the presence of glycerol as template followed by annealing of the product at 500°C in the presence of H2 gas flow. Subsequently, its surface has been modified by silica followed by silver nanoparticles to form silica coated Fe (Fe@SiO2) and Ag encapsulated Fe@SiO2 nanostructure employing the Stöber method and silver mirror reaction respectively. XRD pattern of the products confirmed the formation of bcc phase of iron and fcc phase of silver, though silica remained amorphous. FESEM images established the growth of iron nanorods from the annealed product and also formation of silica and silver coating on its surface. The appearance of the characteristics bands in FTIR confirmed the presence of SiO2 on the Fe surface. Magnetic measurements at room temperature indicated the ferromagnetic behavior of as prepared iron nanorods, Fe@SiO2 and silver encapsulated Fe@SiO2 nanostructures. All the samples exhibited strong microwave absorption property in the high frequency range (10GHz), though it is superior for Ag encapsulated Fe@SiO2 (-14.7dB) compared with Fe@SiO2 (-9.7dB) nanostructures of the same thickness. The synthesized Ag encapsulated Fe@SiO2 nanostructure also exhibited the SERS phenomena, which is useful in the detection of the carcinogenic dye crystal violet (CV) upto the concentration of 10(-10)M. All these findings clearly demonstrate that the Ag encapsulated Fe@SiO2 nanostructure could efficiently be used in the environmental remediation. Copyright © 2014 Elsevier Inc. All rights reserved.

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

Scaling of anomalous hall effect in amorphous CoFeB Films with accompanying quantum correction

KAUST Repository

Zhang, Yan

2015-05-08

Scaling of anomalous Hall effect in amorphous CoFeB films with thickness ranging from 2 to 160 nm have been investigated. We have found that the scaling relationship between longitudinal (ρxx) and anomalous Hall (ρAH) resistivity is distinctly different in the Bloch and localization regions. For ultrathin CoFeB films, the sheet resistance (Rxx) and anomalous Hall conductance (GAH) received quantum correction from electron localization showing two different scaling relationships at different temperature regions. In contrast, the thicker films show a metallic conductance, which have only one scaling relationship in the entire temperature range. Furthermore, in the dirty regime of localization regions, an unconventional scaling relationship View the MathML sourceσAH∝σxxα with α=1.99 is found, rather than α=1.60 predicted by the unified theory.

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.

The nucleation process and the roles of structure and density fluctuations in supercooled liquid Fe

International Nuclear Information System (INIS)

Li, Rong; Wu, Yongquan; Xiao, Junjiang

2014-01-01

We observed homogeneous nucleation process of supercooled liquid Fe by molecular dynamics simulations. Using bond-orientational order parameters together with Voronoi polyhedron method, we characterized local structure, calculated the volume of Voronoi polyhedra of atoms and identified the structure and density fluctuations. We monitored the formation of nucleus and analyzed its inner structure. The birth and growth of the pre-nucleus and nucleus are accompanied with aggregating and disaggregating processes in the time scale of femtosecond. Only the initial solid-like clusters (ISLC), ranging from 1 to 7 atoms, pop up directly from liquid. The relation between the logarithm of number of clusters and the cluster size was found to be linear for ISLCs and was observed to be parabolic for all solid-like clusters (SLC) due to aggregating and disaggregating effects. The nucleus and pre-nuclei mainly consist of body centered cubic (BCC) and hexagonal close packed atoms, while the BCC atoms tend to be located at the surface. Medium-range structure fluctuations induce the birth of ISLCs, benefit the aggregation of embryos and remarkably promote the nucleation. But density fluctuations contribute little to nucleation. The lifetime of most icosahedral-like atoms (ICO) is shorter than 0.7 ps. No obvious relationship was found between structure/density fluctuations and the appearance of ICO atoms

Powder metallurgical processing of equiatomic AlCoCrFeNi high entropy alloy: Microstructure and mechanical properties

Energy Technology Data Exchange (ETDEWEB)

Mohanty, S.; Maity, T.N.; Mukhopadhyay, S. [Department of Materials Science and Engineering, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Sarkar, S. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India); Gurao, N.P. [Department of Materials Science and Engineering, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Bhowmick, S. [Hysitron Inc., Eden Prairie, MN 55344 (United States); Biswas, Krishanu, E-mail: kbiswas@iitk.ac.in [Department of Materials Science and Engineering, Indian Institute of Technology Kanpur, Kanpur 208016 (India)

2017-01-02

Phase formation, microstructural evolution and the mechanical properties of novel multi-component equiatomic AlCoCrFeNi high entropy alloy synthesized by high energy ball milling followed by spark plasma sintering have been reported here. The microstructure of the mechanically alloyed (MA) powder and sintered samples were studied using X-ray diffraction, scanning electron and transmission electron microscopy, whereas the detailed investigation of the mechanical properties of the sintered samples were measured using micro and nano hardness techniques. The fracture toughness measurements were performed by applying single edge V notch beam (SEVNB) technique. The MA powder shows the presence of FCC (τ) and BCC (κ) solid solution phases. Extended ball milling (up to 60 h) does not change the phases present in MA powder. The sintered pellets show phase-separated microstructure consisting of Al-Ni rich L1{sub 2} phase, α′ and tetragonal Cr-Fe-Co based σ phase along with Al-Ni-Co-Fe FCC solid solution phase (ε) for sample sintered from 973 to 1273 K. The experimental evidences indicate that BCC (κ) solid solution undergoes eutectoid transformation during sintering leading to the formation of L1{sub 2} ordered α′ and σ phases, whereas FCC (τ) phase remains unaltered with a slight change in the lattice parameter. The hardness of the sample increases with sintering temperature and a sudden rise in hardness is observed 1173 K. The sample sintered at 1273 K shows the highest hardness of ~8 GPa. The elastic modulus mapping clearly indicates the presence of three phases having elastic moduli of about 300, 220 and 160 GPa. The fracture toughness obtained using SEVNB test shows a maximum value of 3.9 MPa m{sup 1/2}, which is attributed to the presence of brittle nanosized σ phase precipitates. It is proposed that significant increase in the fraction of σ phase precipitates and eutectoid transformation of the τ phase contribute to increase in hardness along with

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

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

Nano-Photonic Structures for Light Trapping in Ultra-Thin Crystalline Silicon Solar Cells

Directory of Open Access Journals (Sweden)

Prathap Pathi

2017-01-01

Full Text Available Thick wafer-silicon is the dominant solar cell technology. It is of great interest to develop ultra-thin solar cells that can reduce materials usage, but still achieve acceptable performance and high solar absorption. Accordingly, we developed a highly absorbing ultra-thin crystalline Si based solar cell architecture using periodically patterned front and rear dielectric nanocone arrays which provide enhanced light trapping. The rear nanocones are embedded in a silver back reflector. In contrast to previous approaches, we utilize dielectric photonic crystals with a completely flat silicon absorber layer, providing expected high electronic quality and low carrier recombination. This architecture creates a dense mesh of wave-guided modes at near-infrared wavelengths in the absorber layer, generating enhanced absorption. For thin silicon (<2 μm and 750 nm pitch arrays, scattering matrix simulations predict enhancements exceeding 90%. Absorption approaches the Lambertian limit at small thicknesses (<10 μm and is slightly lower (by ~5% at wafer-scale thicknesses. Parasitic losses are ~25% for ultra-thin (2 μm silicon and just 1%–2% for thicker (>100 μm cells. There is potential for 20 μm thick cells to provide 30 mA/cm2 photo-current and >20% efficiency. This architecture has great promise for ultra-thin silicon solar panels with reduced material utilization and enhanced light-trapping.

Structure Formation of Ultrathin PEO Films at Solid Interfaces—Complex Pattern Formation by Dewetting and Crystallization

Science.gov (United States)

Braun, Hans-Georg; Meyer, Evelyn

2013-01-01

The direct contact of ultrathin polymer films with a solid substrate may result in thin film rupture caused by dewetting. With crystallisable polymers such as polyethyleneoxide (PEO), molecular self-assembly into partial ordered lamella structures is studied as an additional source of pattern formation. Morphological features in ultrathin PEO films (thickness dewetting patterns and diffusion limited growth pattern of ordered lamella growing within the dewetting areas. Besides structure formation of hydrophilic PEO molecules, n-alkylterminated (hydrophobic) PEO oligomers are investigated with respect to self-organization in ultrathin films. Morphological features characteristic for pure PEO are not changed by the presence of the n-alkylgroups. PMID:23385233

On the advantages of spring magnets compared to pure FePt: Strategy for rare-earth free permanent magnets following a bottom-up approach

Energy Technology Data Exchange (ETDEWEB)

Pousthomis, M.; Garnero, C. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Marcelot, C.G. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Centre d’Elaboration de Matériaux et d’Etudes Structurales, CEMES-CNRS, 29 rue Jeanne Marvig, B.P. 94347, 31055 Toulouse (France); Blon, T.; Cayez, S. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Cassignol, C.; Du, V.A.; Krispin, M. [Siemens AG, Corporate Technology, Munich (Germany); Arenal, R. [Transpyrenean Advanced Laboratory for Electron Microscopy (TALEM), INSA - INA, CNRS - Universidad de Zaragoza, 30155 Toulouse (France); Laboratorio de Microscopias Avanzadas (LMA), Instituto de Nanociencia de Aragon (INA), U. Zaragoza, C/Mariano Esquillor s/n, 50018 Zaragoza (Spain); Fundacion ARAID, 50018 Zaragoza (Spain); Soulantica, K.; Viau, G. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Lacroix, L.-M., E-mail: lmlacroi@insa-toulouse.fr [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Transpyrenean Advanced Laboratory for Electron Microscopy (TALEM), INSA - INA, CNRS - Universidad de Zaragoza, 30155 Toulouse (France)

2017-02-15

Nanostructured magnets benefiting from efficient exchange-coupling between hard and soft grains represent an appealing approach for integrated miniaturized magnetic power sources. Using a bottom-up approach, nanostructured materials were prepared from binary assemblies of bcc FeCo and fcc FePt nanoparticles and compared with pure L1{sub 0}-FePt materials. The use of a bifunctional mercapto benzoic acid yields homogeneous assemblies of the two types of particles while reducing the organic matter amount. The 650 °C thermal annealing, mandatory to allow the L1{sub 0}-FePt phase transition, led to an important interdiffusion and thus decreased drastically the amount of soft phase present in the final composites. The analysis of recoil curves however evidenced the presence of an efficient interphase exchange coupling, which allows obtaining better magnetic performances than pure L1{sub 0} FePt materials, energy product above 100 kJ m{sup −3} being estimated for a Pt content of only 33%. These results clearly evidenced the interest of chemically grown nanoparticles for the preparation of performant spring-magnets, opening promising perspective for integrated subcentimetric magnets with optimized properties.

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

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

Energy Technology Data Exchange (ETDEWEB)

Higgins, M. P.; Wang, L. M.; Gao, F., E-mail: gaofeium@umich.edu [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, Michigan 48109 (United States); Lu, C. Y. [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, Michigan 48109 (United States); Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University, Shenyang, Liaoning 110819 (China); Lu, Z. [Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University, Shenyang, Liaoning 110819 (China); Shao, L. [Department of Nuclear Engineering, Texas A& M University, College Station, Texas 77843 (United States)

2016-07-18

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

Self-organized nano-structuring of CoO islands on Fe(001)

International Nuclear Information System (INIS)

Brambilla, A.; Picone, A.; Giannotti, D.; Riva, M.; Bussetti, G.; Berti, G.; Calloni, A.; Finazzi, M.; Ciccacci, F.; Duò, L.

2016-01-01

Highlights: • CoO grown on the Co(001)-p(1 × 1)O surface of a 5 ML thick Co layer on Fe(001). • The growth process does not induce Fe cation migration and/or oxidation. • A misfit dislocation network develops in the very early stages of CoO growth. • Such a network acts as a template for a three-dimensional CoO nanostructuration. • The dimensions of CoO wedding-cake square mounds scale linearly with thickness. - Abstract: The realization of nanometer-scale structures through bottom-up strategies can be accomplished by exploiting a buried network of dislocations. We show that, by following appropriate growth steps in ultra-high vacuum molecular beam epitaxy, it is possible to grow nano-structured films of CoO coupled to Fe(001) substrates, with tunable sizes (both the lateral size and the maximum height scale linearly with coverage). The growth mode is discussed in terms of the evolution of surface morphology and chemical interactions as a function of the CoO thickness. Scanning tunneling microscopy measurements reveal that square mounds of CoO with lateral dimensions of less than 25 nm and heights below 10 atomic layers are obtained by growing few-nanometers-thick CoO films on a pre-oxidized Fe(001) surface covered by an ultra-thin Co buffer layer. In the early stages of growth, a network of misfit dislocations develops, which works as a template for the CoO nano-structuring. From a chemical point of view, at variance with typical CoO/Fe interfaces, neither Fe segregation at the surface nor Fe oxidation at the buried interface are observed, as seen by Auger electron spectroscopy and X-ray Photoemission Spectroscopy, respectively.

A Simple Synthesis of Two-Dimensional Ultrathin Nickel Cobaltite Nanosheets for Electrochemical Lithium Storage

International Nuclear Information System (INIS)

Zhu, Youqi; Cao, Chuanbao

2015-01-01

We report a simple microwave-assisted method to fabricate high-quality two-dimensional (2D) ultrathin NiCo 2 O 4 nanosheets with a geometrically graphene-like architecture. The unique large-area nanostructures represent an ultrahigh surface atomic ratio with almost all active elements exposed outside for surface-dependent electrochemical reaction processes. Experimental results reveal that the as-synthesized ultrathin NiCo 2 O 4 nanosheets show excellent electrochemical performances for lithium storage application. The ultrathin NiCo 2 O 4 nanosheets could deliver a high first discharge capacity (1287.1 mAh g −1 ) with initial Coulombic efficiency of 80.0% at 200 mA g −1 current density. The reversible lithium storage capacity still retains at 804.8 mAh g −1 in the 100th cycle, suggesting a good cycling stability. The excellent electrochemical properties of the as-synthesized NiCo 2 O 4 nanosheets could be ascribed to the unique ultrathin 2D architecture, which could offer large exposed active surface with more lithium-insertion channels and significantly reduce lithium ion diffusion distance. The cost-efficient synthesis and excellent lithium storage properties make the 2D NiCo 2 O 4 nanosheets as a promising anode material for high-performance lithium ion batteries

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.)

Supramolecular architectures of iron phthalocyanine Langmuir-Blodgett films: The role played by the solution solvents

Science.gov (United States)

Rubira, Rafael Jesus Gonçalves; Aoki, Pedro Henrique Benites; Constantino, Carlos José Leopoldo; Alessio, Priscila

2017-09-01

The developing of organic-based devices has been widely explored using ultrathin films as the transducer element, whose supramolecular architecture plays a central role in the device performance. Here, Langmuir and Langmuir-Blodgett (LB) ultrathin films were fabricated from iron phthalocyanine (FePc) solutions in chloroform (CHCl3), dichloromethane (CH2Cl2), dimethylformamide (DMF), and tetrahydrofuran (THF) to determine the influence of different solvents on the supramolecular architecture of the ultrathin films. The UV-vis absorption spectroscopy shows a strong dependence of the FePc aggregation on these solvents. As a consequence, the surface pressure vs. mean molecular area (π-A) isotherms and Brewster angle microscopy (BAM) reveal a more homogeneous (surface morphology) Langmuir film at the air/water interface for FePc in DMF. The same morphological pattern observed for the Langmuir films is preserved upon LB deposition onto solid substrates. The Raman and FTIR analyses indicate the DMF-FePc interaction relies on coordination bonds between N atom (from DMF) and Fe atom (from FePc). Besides, the FePc molecular organization was also found to be affected by the DMF-FePc chemical interaction. It is interesting to note that, if the DMF-FePc leads to less aggregated FePc either in solution or ultrathin films (Langmuir and LB), with time (one week) the opposite trend is found. Taking into account the N-Fe interaction, the performance of the FePc ultrathin films with distinct supramolecular architectures composing sensing units was explored as proof-of-principle in the detection of trace amounts of atrazine herbicide in water using impedance spectroscopy. Further statistical and computational analysis reveal not only the role played by FePc supramolecular architecture but also the sensitivity of the system to detect atrazine solutions down to 10-10 mol/L, which is sufficient to monitor the quality of drinking water even according to the most stringent international

Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

International Nuclear Information System (INIS)

Moumeni, Hayet; Nemamcha, Abderrafik; Alleg, Safia; Grenèche, Jean Marc

2013-01-01

Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B 1 = 35.0 T and B 2 = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field

Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

Energy Technology Data Exchange (ETDEWEB)

Moumeni, Hayet, E-mail: hmoumeni@yahoo.fr [Laboratoire de Chimie Computationnelle et Nanostructures, Département des Sciences de la Matière, Faculté des Mathématiques et de l' Informatique et des Sciences de la Matière, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Nemamcha, Abderrafik [Laboratoire d' Analyses Industrielles et Génie des Matériaux, Faculté des Sciences et de la Technologie, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Alleg, Safia [Laboratoire de Magnétisme et de Spectroscopie des Solides, Département de Physique, Faculté des Sciences, Université de Annaba, B.P. 12, Annaba 23000 (Algeria); Grenèche, Jean Marc [Laboratoire de Physique de l' Etat Condensé, UMR CNRS 6087, Institut de Recherche en Ingénierie Moléculaire et Matériaux Fonctionnels IRIM2F, FR CNRS 2575, Université du Maine, 72085 Le Mans Cedex 9 (France)

2013-02-15

Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B{sub 1} = 35.0 T and B{sub 2} = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field.

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

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

Spin-orbit torque opposing the Oersted torque in ultrathin Co/Pt bilayers

Energy Technology Data Exchange (ETDEWEB)

Skinner, T. D., E-mail: tds32@cam.ac.uk; Irvine, A. C.; Heiss, D.; Kurebayashi, H.; Ferguson, A. J., E-mail: ajf1006@cam.ac.uk [Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom); Wang, M.; Hindmarch, A. T.; Rushforth, A. W. [School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

2014-02-10

Current-induced torques in ultrathin Co/Pt bilayers were investigated using an electrically driven ferromagnetic resonance technique. The angle dependence of the resonances, detected by a rectification effect as a voltage, was analysed to determine the symmetries and relative magnitudes of the spin-orbit torques. Both anti-damping (Slonczewski) and field-like torques were observed. As the ferromagnet thickness was reduced from 3 to 1 nm, the sign of the sum of the field-like torque and Oersted torque reversed. This observation is consistent with the emergence of a Rashba spin orbit torque in ultra-thin bilayers.

Ultra-thin solution-based coating of molybdenum oxide on multiwall carbon nanotubes for high-performance supercapacitor electrodes

KAUST Repository

Shakir, Imran

2014-02-01

Uniform and conformal coating of ultrathin molybdenum oxide (MoO 3) thin film onto conducting MWCNTs was successfully synthesized through a facile, nontoxic and generally applicable precipitation method, followed by a simple heat treatment. The ultrathin MoO3 coating enables a fast and reversible redox reaction which improves the specific capacitance by utilizing the maximum number of active sites for the redox reaction, while the high porosity of the MWCNTs facilitates ion migration in the electrolyte and shorten the ion diffusion path. The ultrathin MoO3 coated MWCNTs electrodes show a very high specific capacitance of 1145 Fg -1 in 2 M Na2SO4 aqueous solution when 5 nm thick MoO3 was considered alone despite the low weight percentage of the MoO3 (16wt%). Furthermore, the ultrathin MoO3 coated MWCNTs supercapacitor electrodes exhibited excellent cycling performance of > 97% capacitance retention over 1000 cycles. © 2013 Elsevier Ltd.

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.

Structure Formation of Ultrathin PEO Films at Solid Interfaces—Complex Pattern Formation by Dewetting and Crystallization

Directory of Open Access Journals (Sweden)

Hans-Georg Braun

2013-02-01

Full Text Available The direct contact of ultrathin polymer films with a solid substrate may result in thin film rupture caused by dewetting. With crystallisable polymers such as polyethyleneoxide (PEO, molecular self-assembly into partial ordered lamella structures is studied as an additional source of pattern formation. Morphological features in ultrathin PEO films (thickness < 10 nm result from an interplay between dewetting patterns and diffusion limited growth pattern of ordered lamella growing within the dewetting areas. Besides structure formation of hydrophilic PEO molecules, n-alkylterminated (hydrophobic PEO oligomers are investigated with respect to self-organization in ultrathin films. Morphological features characteristic for pure PEO are not changed by the presence of the n-alkylgroups.

Evaluate and Analysis Efficiency of Safaga Port Using DEA-CCR, BCC and SBM Models-Comparison with DP World Sokhna

Science.gov (United States)

Elsayed, Ayman; Shabaan Khalil, Nabil

2017-10-01

The competition among maritime ports is increasing continuously; the main purpose of Safaga port is to become the best option for companies to carry out their trading activities, particularly importing and exporting The main objective of this research is to evaluate and analyze factors that may significantly affect the levels of Safaga port efficiency in Egypt (particularly the infrastructural capacity). The assessment of such efficiency is a task that must play an important role in the management of Safaga port in order to improve the possibility of development and success in commercial activities. Drawing on Data Envelopment Analysis(DEA)models, this paper develops a manner of assessing the comparative efficiency of Safaga port in Egypt during the study period 2004-2013. Previous research for port efficiencies measurement usually using radial DEA models (DEA-CCR), (DEA-BCC), but not using non radial DEA model. The research applying radial - output oriented (DEA-CCR), (DEA-BCC) and non-radial (DEA-SBM) model with ten inputs and four outputs. The results were obtained from the analysis input and output variables based on DEA-CCR, DEA-BCC and SBM models, by software Max DEA Pro 6.3. DP World Sokhna port higher efficiency for all outputs were compared to Safaga port. DP World Sokhna position is below the southern entrance to the Suez Canal, on the Red Sea, Egypt, makes it strategically located to handle cargo transiting through one of the world's busiest commercial waterways.

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...

Nanocomposite Nd-Y-Fe-B-Mo bulk magnets prepared by injection casting technique

Energy Technology Data Exchange (ETDEWEB)

Tao, Shan [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China); Ahmad, Zubair [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, Pengyue [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China); Yan, Mi, E-mail: mse_yanmi@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zheng, Xiaomei [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China)

2017-09-01

Highlights: • Nanocomposite Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} sheet magnets were synthesized by injection casting. • High coercivity of 1289 kA/m was obtained for the directly casted magnet. • Magnetic properties arise from magnetically exchange coupled soft and hard phases. - Abstract: The phase composition, magnetic and microstructural properties of Nd{sub 2}Fe{sub 14}B/(α-Fe, Fe{sub 3}B) nanocomposite magnets produced by injection casting technique have been studied. Magnetic hysteresis loop of the Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} permanent magnet demonstrates the coercivity as high as 1289 kA/m. Electron microscopy elucidates a microstructure composed of magnetically soft α-Fe, Fe{sub 3}B and hard Nd{sub 2}Fe{sub 14}B/Y{sub 2}Fe{sub 14}B nanograins (20–50 nm) separated by ultra-thin grain boundary layer. The Henkel plot curve of the Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} magnet yields the existence of exchange coupling interactions between soft and hard phases. Macroscopically large size sheet magnet is obtained due to high glass forming ability of the Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} alloy derived from large atomic radius mismatch and negative enthalpy of alloy constituent elements. The high coercivity of the magnet is attributed to the magnetically hard phase increment, nucleation of reverse domains and the presence of thin grain boundary phase. Good magnetic properties such as remanence of 0.51 T, coercivity of 1289 kA/m and maximum energy product of 46.2 kJ/m{sup 3} are obtained in directly casted Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} sheet magnets.