Single-crystal study of the charge density wave metal LuNiC2

NASA Astrophysics Data System (ADS)

Steiner, S.; Michor, H.; Sologub, O.; Hinterleitner, B.; Höfenstock, F.; Waas, M.; Bauer, E.; Stöger, B.; Babizhetskyy, V.; Levytskyy, V.; Kotur, B.

2018-05-01

We report on single-crystal growth, single-crystal x-ray diffraction, physical properties, and density functional theory (DFT) electronic structure as well as Fermi surface calculations for two ternary carbides, LuCoC2 and LuNiC2. Electrical resistivity measurements reveal for LuNiC2 a charge density wave (CDW) transition at TCDW≃450 K and, for T >TCDW , a significant anisotropy of the electrical resistivity, which is lowest along the orthorhombic a axis. The analysis of x-ray superstructure reflections suggest a commensurate CDW state with a Peierls-type distortion of the Ni atom periodicity along the orthorhombic a axis. DFT calculations based on the CDW modulated monoclinic structure model of LuNiC2 as compared to results of the orthorhombic parent type reveal the formation of a partial CDW gap at the Fermi level which reduces the electronic density of states from N (EF)=1.03 states/eV f.u. without CDW to N (EF)=0.46 states/eV f.u. in the CDW state. The corresponding bare DFT Sommerfeld value of the latter, γDFTCDW=0.90 mJ/mol K2, reaches reasonable agreement with the experimental value γ =0.83 (5 ) mJ/mol K2 of LuNiC2. LuCoC2 displays a simple metallic behavior with neither CDW ordering nor superconductivity above 0.4 K. Its experimental Sommerfeld coefficient, γ =5.9 (1) mJ/mol K2, is in realistic correspondence with the calculated, bare Sommerfeld coefficient, γDFT=3.82 mJ/mol K2, of orthorhombic LuCoC2.

Magnetic anisotropy and spin-flop transition of NiWO4 single crystals

NASA Astrophysics Data System (ADS)

Liu, C. B.; He, Z. Z.; Liu, Y. J.; Chen, R.; Shi, M. M.; Zhu, H. P.; Dong, C.; Wang, J. F.

2017-12-01

NiWO4 exhibits a spin chain structure built by magnetic Ni2+ ions, which may be considered as a one dimensional S = 1 system. In this work, large-sized single crystals of NiWO4 were successfully synthesized by a flux method and the crystal quality was confirmed by X-ray diffraction. Magnetic properties of obtained single crystals were studied by means of magnetic susceptibility and high field magnetization along crystallographic axes. The results demonstrate that NiWO4 is highly magnetic anisotropic and possesses a three-dimensional long range ordering below 60 K, where a spin flop transition can be observed at 17.5 T in applied magnetic fields along the magnetic easy axis (c-axis).

Ab initio prediction of stable nanotwin double layers and 4O structure in Ni2MnGa

NASA Astrophysics Data System (ADS)

Zelený, Martin; Straka, Ladislav; Sozinov, Alexei; Heczko, Oleg

2016-12-01

The ab initio electronic structure calculations of the Ni2MnGa alloy indicate that the orthorhombic 4O structure exhibits the lowest energy compared to all known martensitic structures. The 4O structure is formed by nanotwin double layers, i.e., oppositely oriented nanotwins consisting of two (101) lattice planes of nonmodulated martensitic structure. It exhibits the lowest occupation of density of states at the Fermi level. The total energy 1.98 meV/atom below the energy of nonmodulated martensite is achieved within structural relaxation by shifting Mn and Ga atoms at the nanotwin boundaries. The same atomic shift can also be found in other martensitic nanotwinned or modulated structures such as 10M and 14M, which indicates the importance of the nanotwin double layer for the stability of these structures. Our discovery shows that the nanotwinning or modulation is a natural property of low-temperature martensitic phases in Ni-Mn-Ga alloys.

1100 to 1500 K Slow Plastic Compressive Behavior of NiAl-xCr Single Crystals

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Darolia, Ram

2003-01-01

The compressive properties of near <001> and <111> oriented NiAl-2Cr single crystals and near <011> oriented NiAl-6Cr samples have been measured between 1100 and 1500 K. The 2Cr addition produced significant solid solution strengthening in NiAl, and the <111> and <001> single crystals possessed similar strengths. The 6Cr crystals were not stronger than the 2Cr versions. At 1100 and 1200 K plastic flow in all three Cr-modified materials was highly dependent on stress with exponents > 10. The <011> oriented 6Cr alloy exhibited a stress exponent of about 8 at 1400 and 1500 K; whereas both <001> and <111> NiAl-2Cr crystals possessed stress exponents near 3 which is indicative of a viscous dislocation glide creep mechanism. While the Cottrell-Jaswon solute drag model predicted creep rates within a factor of 3 at 1500 K for <001>-oriented NiAl-2Cr; this mechanism greatly over predicted creep rates for other orientations and at 1400 K for <001> crystals.

Interdiffusion behavior between NiAlHf coating and Ni-based single crystal superalloy with different crystal orientations

NASA Astrophysics Data System (ADS)

Wang, Ruili; Gong, Xueyuan; Peng, Hui; Ma, Yue; Guo, Hongbo

2015-01-01

NiAlHf coatings were deposited onto Ni-based single crystal (SC) superalloy with different crystal orientations by electron beam physical vapor deposition (EB-PVD). The effects of the crystal orientations of the superalloy substrate on inter-diffusion behavior between the substrate and the NiAlHf coating were investigated. Substrate diffusion zone (SDZ) containing needle-like μ phases and interdiffusion zone (IDZ) mainly consisting of the ellipsoidal and rod-like μ phases were formed in the SC alloy after heat-treatment 10 h at 1100 °C. The thickness of secondary reaction zone (SRZ) formed in the SC alloy with (0 1 1) crystal orientation is about 14 μm after 50 h heat-treatment at 1100 °C, which is relatively thicker than that in the SC alloy with (0 0 1) crystal orientation, whereas the IDZ revealed similar thickness.

Fist Principles Approach to the Magneto Caloric Effect: Application to Ni2MnGa

NASA Astrophysics Data System (ADS)

Odbadrakh, Khorgolkhuu; Nicholson, Don; Rusanu, Aurelian; Eisenbach, Markus; Brown, Gregory; Evans, Boyd, III

2011-03-01

The magneto-caloric effect (MCE) has potential application in heating and cooling technologies. In this work, we present calculated magnetic structure of a candidate MCE material, Ni 2 MnGa. The magnetic configurations of a 144 atom supercell is first explored using first-principle, the results are then used to fit exchange parameters of a Heisenberg Hamiltonian. The Wang-Landau method is used to calculate the magnetic density of states of the Heisenberg Hamiltonian. Based on this classical estimate, the magnetic density of states is calculated using the Wang Landau method with energies obtained from the first principles method. The Currie temperature and other thermodynamic properties are calculated using the density of states. The relationships between the density of magnetic states and the field induced adiabatic temperature change and isothermal entropy change are discussed. This work was sponsored by the Laboratory Directed Research and Development Program (ORNL), by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research (US DOE), and by the Materials Sciences and Engineering Division; Office of Basic Energy Sciences (US DOE).

High-pressure floating-zone growth of perovskite nickelate LaNiO 3 single crystals

DOE PAGES

Zhang, Junjie; Zheng, Hong; Ren, Yang; ...

2017-04-07

We report the first single crystal growth of the correlated metal LaNiO 3 using a high-pressure optical-image floating zone furnace. The crystals were studied using single crystal/powder X-ray diffraction, resistivity, specific heat, and magnetic susceptibility. The availability of bulk LaNiO 3 crystals will (i) promote deep understanding in this correlated material, including the mechanism of enhanced paramagnetic susceptibility, and (ii) provide rich opportunities as a substrate for thin film growth such as important ferroelectric and/or multiferroic materials. As a result, this study demonstrates the power of high pO 2 single crystal growth of nickelate perovskites and correlated electron oxides moremore » generally.« less

Fracture Toughness Evaluation of a Ni2MnGa Alloy Through Micro Indentation Under Magneto-Mechanical Loading

NASA Astrophysics Data System (ADS)

Goanţă, Viorel; Ciocanel, Constantin

2017-12-01

Ni2MnGa is a ferromagnetic alloy that exhibits the shape memory effect either induced by an externally applied magnetic field or mechanical stress. Due to the former, the alloy is commonly called magnetic shape memory alloy or MSMA. The microstructure of the MSMA consists of tetragonal martensite variants (three in the most general case) that are characterized by a magnetization vector which is aligned with the short side of the tetragonal unit cell. Exposing the MSMA to a magnetic field causes the magnetization vector to rotate and align with the external field, eventually leading to variant reorientation. The variant reorientation is observed macroscopically in the form of recoverable strain of up to 6% [1, 2]. As the magnetic field induced reorientation happens instantaneously [1, 3], MSMAs are suitable for fast actuation, sensing, or power harvesting applications. However, actuation applications are limited by the maximum actuation stress of the material that is about 3.5MPa at approximately 2 to 3% reorientation strain. During MSMA fatigue magneto-mechanical characterization studies [4, 5] it was observed that cracks nucleate and grow on the surface of material samples, after a relatively small number of cycles, leading to loss in material performance. This triggered the need for understanding the mechanisms that govern crack nucleation and growth in MSMAs, as well as the nature of the material, i.e. ductile or brittle. The experimental study reported in this paper was carried out to determine material's fracture toughness, the predominant crack growth directions, and the orientation of the cracks relative to the mechanical loading direction and to the material's microstructure. A fixture has been developed to allow Vickers micro indentation of 3mm by 3mm by 20mm Ni2MnGa samples exposed to different levels of magnetic field and/or mechanical stress. Using the measured characteristics of the impression generated during micro indentation, the lengths of

Creep Properties of NiAl-1Hf Single Crystals Re-Investigated

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Locci, Ivan E.; Darolia, Ram; Bowman, Randy R.

2000-01-01

ingots were subjected to several heat treatment schedules, examined by transmission electron microscopy, and tested in both compression and tension. An example of the microstructure found in a [001]-oriented NiAl-1Hf specimen after a solution treatment at 1317 C for 50 hr followed by air cooling is illustrated in the image on the left, where the NiAl matrix contains a uniform distribution of nanometer-scale Gphase (Ni16Hf6Si7) precipitates. Other heat treating schedules produced microstructures with nanometer-sized G-phase cubes and plates or, in an extreme case, produced a microstructure with all the G-phase converted to Heusler (Ni2AlHf) particles. The results of 1027 C creep strength and strain rate testing are illustrated which summarizes data from tensile and compressive testing of samples cut from all four NiAl-1Hf ingots and subjected to a variety of heat treatment schedules. With one exception, all the strength values lie in a narrow band that spans six orders of magnitude in strain rate. The only factor that produced results outside of this band was the heat treatment schedule that dissolved all the G-phase and replaced it with Heusler precipitates. The results portrayed in this figure lead to the important practical conclusion that the elevated-temperature creep properties of NiAl-1Hf single crystals are reproducible and are not affected by small variations in alloy chemistry from ingot to ingot or by different initial distributions of G-phase in the heat-treated alloy. The only variable in this study that produced a significant and delerious effect on mechanical strength was a post-solution heat treatment that lead to the complete disappearance of the G-phase in favor of Heusler precipitates.

Crystallography of the NiHfSi Phase in a NiAl (0.5 Hf) Single-Crystal Alloy

NASA Technical Reports Server (NTRS)

Garg, A.; Noebe, R. D.; Darolia, R.

1996-01-01

Small additions of Hf to conventionally processed NiAl single crystals result in the precipitation of a high density of cuboidal G-phase along with a newly identified silicide phase. Both of these phases form in the presence of Si which is not an intentional alloying addition but is a contaminant resulting from contact with the ceramic shell molds during directional solidification of the single-crystal ingots. The morphology, crystal structure and Orientation Relationship (OR) of the silicide phase in a NiAl (0.5 at.%Hf) single-crystal alloy have been determined using transmission electron microscopy, electron microdiffraction and energy dispersive X-ray spectroscopy. Qualitative elemental analysis and indexing of the electron microdiffraction patterns from the new phase indicate that it is an orthorhombic NiHfSi phase with unit cell parameters, a = 0.639 nm, b = 0.389 nm and c = 0.72 nm, and space group Pnma. The NiHfSi phase forms as thin rectangular plates on NiAl/111/ planes with an OR that is given by NiHfSi(100))(parallel) NiAl(111) and NiHfSi zone axes(010) (parallel) NiAl zone axes (101). Twelve variants of the NiHfSi phase were observed in the alloy and the number of variants and rectangular morphology of NiHfSi plates are consistent with symmetry requirements. Quenching experiments indicate that nucleation of the NiHfSi phase in NiAI(Hf) alloys is aided by the formation of NiAl group of zone axes (111) vacancy loops that form on the NiAl /111/ planes.

The Ni and Co substitutions in iron chalcogenide single crystals

NASA Astrophysics Data System (ADS)

Bezusyy, V. L.; Gawryluk, D. J.; Malinowski, A.; Berkowski, M.; Cieplak, Marta Z.

2015-03-01

We study the ab-plane resistivity and Hall effect in Fe1-yMyTe0.65Se0.35 single crystals with M =Co or Ni, and y up to 0.2. The crystals are grown by Bridgman's method. The low-temperature Hall coefficient RH changes sign to negative for crystals with y exceeding 0.135 (Co) and 0.06 (Ni), consistent with the electron doping induced by these impurities. However, the RH remains positive for all samples at high T, suggesting that remnant hole pockets survive the doping, but the holes become localized at low T in heavily doped crystals. Superconducting transition temperature (Tc) approaches zero for y = 0.14 (Co), and 0.03 (Ni), while the resistivity at the Tc onset is only weakly affected by Co doping, but it increases strongly for the Ni. These results suggest that in case of Co impurity the Tc suppression may be attributed to electron doping. On the other hand, the Ni substitution, in addition to electron doping, induces strong localization effects at small impurity contents. Using two-band conduction model we argue that the localization of electron carriers is responsible for strong superconductivity suppression by Ni impurity. Supported by EC through the FunDMS Advanced Grant of the ERC (FP7 Ideas), by the Polish NCS Grant 2011/01/B/ST3/00462, and by the French-Polish Program PICS 2012. Performed in the laboratories co-financed by NanoFun Project POIG.02.02.00-00-025/09.

Cu-Al-Ni Shape Memory Single Crystal Wires with High Transformation Temperature

NASA Technical Reports Server (NTRS)

Hautcoeur, Alain; Fouché, Florian; Sicre, Jacques

2016-01-01

CN-250X is a new material with higher performance than Nickel-Titanium Shape Memory Alloy (SMA). For space mechanisms, the main disadvantage of Nickel-Titanium Shape Memory Alloy is the limited transformation temperature. The new CN-250X Nimesis alloy is a Cu-Al-Ni single crystal wire available in large quantity because of a new industrial process. The triggering of actuators made with this Cu-Al-Ni single crystal wire can range from ambient temperature to 200 C in cycling and even to 250 C in one-shot mode. Another advantage of CN-250X is a better shape recovery (8 to 10%) than Ni-Ti (6 to 7%). Nimesis is the first company able to produce this type of material with its new special industrial process. A characterization study is presented in this work, including the two main solicitation modes for this material: tensile and torsion. Different tests measure the shape recovery of Cu-Al-Ni single crystals wires during heating from room temperature to a temperature higher than temperature of end of martensitic transformation.

In vitro cytotoxicity evaluation of a 50.8% NiTi single crystal.

PubMed

Manceur, Aziza; Chellat, Fatiha; Merhi, Yahye; Chumlyakov, Yuriy; Yahia, L'Hocine

2003-11-01

To our knowledge, the biocompatibility of nickel-titanium (NiTi) single crystals has not been reported. Yet certain orientations of single crystals present several advantages over the polycrystalline form in terms of maximal strain, fatigue resistance, and temperature range of superelasticity. Therefore we tested the in vitro biocompatibility of 50.8% NiTi single crystals in the orientation <001> after four different heat treatments in a helium atmosphere followed by mechanical polishing. The study was performed on the material extracts after immersion of the specimens in cell culture medium (DMEM) for 7 days at 37 degrees C. Cytotoxicity studies were performed on L-929 mouse fibroblasts using the MTT assay. J-774 macrophages were used to assess the potential inflammatory effect of the extracts by IL1-beta and TNF-alpha dosages (sandwich ELISA method). Exposure of L-929 to material extracts did not affect cell viability. In addition, IL1-beta and TNF-alpha secretion was not stimulated after incubation with NiTi extracts compared to the negative controls. These results were predictable since atomic absorption spectroscopy did not detect nickel ions in the extracts with a resolution of 1 ppm. Within the limits of in vitro testing, our results demonstrate that the TiNi(50.8%) single crystals do not trigger a cytotoxic reaction. Copyright 2003 Wiley Periodicals, Inc.

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

NASA Astrophysics Data System (ADS)

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

2011-01-01

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

Antiferromagnetic defect structure in LaNi O3 -δ single crystals

NASA Astrophysics Data System (ADS)

Wang, Bi-Xia; Rosenkranz, S.; Rui, X.; Zhang, Junjie; Ye, F.; Zheng, H.; Klie, R. F.; Mitchell, J. F.; Phelan, D.

2018-06-01

The origins of the metal-insulator and magnetic transitions exhibited by perovskite rare-earth nickelates, RNiO3 (where R is a rare-earth element), remain open issues, with charge disproportionation, magnetic interactions, and lattice response across multiple length scales being among the many possible origins. Recently, growth of single crystals of LaNiO3, which is the only member of these compounds that remains metallic in its ground state, has been reported, opening a new chapter in the investigation of the perovskite nickelates. Here, using a combination of magnetometry, heat capacity, and neutron scattering on as-grown and purposely reduced LaNi O3 -δ crystals, we show that both antiferromagnetic and ferromagnetic phases with a Néel temperature of ˜152 K and a Curie temperature of ˜225 K can be induced by reduction of the oxygen content. Transmission electron microscopy shows that these phases are characterized by ordered oxygen vacancy defect structures that exist as dilute secondary phases in as-grown crystals despite growth in partial oxygen pressures up to at least 130 bar. The demonstration of antiferromagnetism resulting from oxygen vacancy ordered structures implies that stoichiometry must be explicitly considered when interpreting the bulk properties of LaNi O3 -δ single crystals; accordingly, the implications of our results for putative oxygen-stoichiometric LaNiO3 are discussed.

Systematic study of vortex pinning and liquid-glass phase transition in BaFe2-x Ni x As2 single crystals

NASA Astrophysics Data System (ADS)

Vlasenko, V. A.; Sobolevskiy, O. A.; Sadakov, A. V.; Pervakov, K. S.; Gavrilkin, S. Yu.; Dik, A. V.; Eltsev, Yu. F.

2018-01-01

The vortex pinning and liquid-glass transition have been studied in BaFe2-x Ni x As2 single crystals with different doping levels (x = 0.065; 0.093; 0.1; 0.14; 0.18). We found that Ni-doped Ba-122 has rather narrow vortex-liquid state region. Our results show that the temperature dependence of the resistivity as well as I-V characteristics of Ni-doped Ba-122 is consistent with 3D vortex-glass model. It was found that δl-pinning gives the main contribution to overall pinning in 122 Ni-doped system. The vortex phase diagrams for different doping levels were built based on the obtained data of temperature of the vortex-glass transition T g and the upper critical magnetic field H c2.

Insulating and metallic spin glass in K xFe 2-δ-yNi ySe 2 (0.06 ≤ y ≤ 1.44 ) single crystals

DOE PAGES

Ryu, Hyejin; Abeykoon, Milinda; Wang, Kefeng; ...

2015-05-04

We report electron doping effects by Ni in K xFe 2-δ-yNi ySe₂ (0.06 ≤ y ≤ 1.44) single crystal alloys. A rich ground state phase diagram is observed. Thus, a small amount of Ni (~ 4%) suppressed superconductivity below 1.8 K, inducing insulating spin glass magnetic ground state for higher Ni content. With further Ni substitution, metallic resistivity is restored. For high Ni concentration in the lattice the unit cell symmetry is high symmetry I4/ mmm with no phase separation whereas both I4/ m + I4/ mmm space groups were detected in the phase separated crystals when concentration of Nimore » < Fe. The absence of superconductivity coincides with the absence of crystalline Fe vacancy order.« less

Oxygen binding by alpha(Fe2+)2beta(Ni2+)2 hemoglobin crystals.

PubMed Central

Bruno, S.; Bettati, S.; Manfredini, M.; Mozzarelli, A.; Bolognesi, M.; Deriu, D.; Rosano, C.; Tsuneshige, A.; Yonetani, T.; Henry, E. R.

2000-01-01

Oxygen binding by hemoglobin fixed in the T state either by crystallization or by encapsulation in silica gels is apparently noncooperative. However, cooperativity might be masked by different oxygen affinities of alpha and beta subunits. Metal hybrid hemoglobins, where the noniron metal does not bind oxygen, provide the opportunity to determine the oxygen affinities of alpha and beta hemes separately. Previous studies have characterized the oxygen binding by alpha(Ni2+)2beta(Fe2+)2 crystals. Here, we have determined the three-dimensional (3D) structure and oxygen binding of alpha(Fe2+)2beta(Ni2+)2 crystals grown from polyethylene glycol solutions. Polarized absorption spectra were recorded at different oxygen pressures with light polarized parallel either to the b or c crystal axis by single crystal microspectrophotometry. The oxygen pressures at 50% saturation (p50s) are 95 +/- 3 and 87 +/- 4 Torr along the b and c crystal axes, respectively, and the corresponding Hill coefficients are 0.96 +/- 0.06 and 0.90 +/- 0.03. Analysis of the binding curves, taking into account the different projections of the alpha hemes along the optical directions, indicates that the oxygen affinity of alpha1 hemes is 1.3-fold lower than alpha2 hemes. Inspection of the 3D structure suggests that this inequivalence may arise from packing interactions of the Hb tetramer within the monoclinic crystal lattice. A similar inequivalence was found for the beta subunits of alpha(Ni2+)2beta(Fe2+)2 crystals. The average oxygen affinity of the alpha subunits (p50 = 91 Torr) is about 1.2-fold higher than the beta subunits (p50 = 110 Torr). In the absence of cooperativity, this heterogeneity yields an oxygen binding curve of Hb A with a Hill coefficient of 0.999. Since the binding curves of Hb A crystals exhibit a Hill coefficient very close to unity, these findings indicate that oxygen binding by T-state hemoglobin is noncooperative, in keeping with the Monod, Wyman, and Changeux model. PMID

The nucleation and growth mechanism of Ni-Sn eutectic in a single crystal superalloy

NASA Astrophysics Data System (ADS)

Jiang, Weiguo; Wang, Li; Li, Xiangwei; Lou, Langhong

2017-12-01

The microstructure of single crystal superalloy with and without tin layer on the surface of as-cast and heat-treatment state was investigated by optical microscope (OM) and scanning electron microscopy (SEM). The composition of different regions on the surface was tested by energy dispersive X-ray (EDS). The reaction intermetallic compound (IMC) formed in the heat treatment process was confirmed by X-ray diffraction (XRD). The orientations of different microstructure in samples as heat treatment state were determined by electron back-scattering diffraction (EBSD) method. The porosity location in the interdendritic region was observed by X-ray computed tomography (XCT). The experiment results showed that the remained Sn on the surface of the superalloy reacted with Ni, and then formed Ni3Sn4 in the as-cast state. Sn enriched by diffusion along the porosity located in the interdendritic region and γ + γ‧ (contain a little of Sn) eutectic and Ni3Sn2 formed in single crystal superalloy during heat treatment, and the recalescence behaviors were found. Ni3Sn2 nucleated independently in the cooled liquid at the front of (γ + γ‧) (Sn) eutectic. The nucleation and growth mechanism of the eutectic and Ni3Sn2 IMC during heat treatment was discussed in the present paper.

Phase transition in a multiferroic Ni-Mn-Ga single crystal

NASA Astrophysics Data System (ADS)

Veřtát, P.; Drahokoupil, J.; Perevertov, O.; Heczko, O.

2016-08-01

We studied martensitic phase transformation, crystal structure and twinned microstructure of resulting martensite of a Ni-Mn-Ga single crystal as essential conditions for magnetic shape memory effect. Thermal dependence of electric resistivity, magnetic susceptibility and dilatation measurements were measured to characterise kinetics of the transformation. With the help of XRD analysis and optical microscopy we evaluated the hierarchical twinning microstructure in the 10M martensite.

Antiferromagnetic defect structure in LaNi O 3 – δ single crystals

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

Wang, Bi -Xia; Rosenkranz, Stephan; Rui, X.

Here, the origins of the metal-insulator and magnetic transitions exhibited by perovskite rare-earth nickelates, RNiO 3 (where R is a rare-earth element), remain open issues, with charge disproportionation, magnetic interactions, and lattice response across multiple length scales being among the many possible origins. Recently, growth of single crystals of LaNiO 3, which is the only member of these compounds that remains metallic in its ground state, has been reported, opening a new chapter in the investigation of the perovskite nickelates. Here, using a combination of magnetometry, heat capacity, and neutron scattering on as-grown and purposely reduced LaNiO 3–δ crystals, wemore » show that both antiferromagnetic and ferromagnetic phases with a Néel temperature of ~152 K and a Curie temperature of ~225 K can be induced by reduction of the oxygen content. Transmission electron microscopy shows that these phases are characterized by ordered oxygen vacancy defect structures that exist as dilute secondary phases in as-grown crystals despite growth in partial oxygen pressures up to at least 130 bar. The demonstration of antiferromagnetism resulting from oxygen vacancy ordered structures implies that stoichiometry must be explicitly considered when interpreting the bulk properties of LaNiO 3–δ single crystals; accordingly, the implications of our results for putative oxygen-stoichiometric LaNiO 3 are discussed.« less

Antiferromagnetic defect structure in LaNi O 3 – δ single crystals

DOE PAGES

Wang, Bi -Xia; Rosenkranz, Stephan; Rui, X.; ...

2018-06-12

Here, the origins of the metal-insulator and magnetic transitions exhibited by perovskite rare-earth nickelates, RNiO 3 (where R is a rare-earth element), remain open issues, with charge disproportionation, magnetic interactions, and lattice response across multiple length scales being among the many possible origins. Recently, growth of single crystals of LaNiO 3, which is the only member of these compounds that remains metallic in its ground state, has been reported, opening a new chapter in the investigation of the perovskite nickelates. Here, using a combination of magnetometry, heat capacity, and neutron scattering on as-grown and purposely reduced LaNiO 3–δ crystals, wemore » show that both antiferromagnetic and ferromagnetic phases with a Néel temperature of ~152 K and a Curie temperature of ~225 K can be induced by reduction of the oxygen content. Transmission electron microscopy shows that these phases are characterized by ordered oxygen vacancy defect structures that exist as dilute secondary phases in as-grown crystals despite growth in partial oxygen pressures up to at least 130 bar. The demonstration of antiferromagnetism resulting from oxygen vacancy ordered structures implies that stoichiometry must be explicitly considered when interpreting the bulk properties of LaNiO 3–δ single crystals; accordingly, the implications of our results for putative oxygen-stoichiometric LaNiO 3 are discussed.« less

Synthesis of large single-crystal hexagonal boron nitride grains on Cu-Ni alloy

NASA Astrophysics Data System (ADS)

Lu, Guangyuan; Wu, Tianru; Yuan, Qinghong; Wang, Huishan; Wang, Haomin; Ding, Feng; Xie, Xiaoming; Jiang, Mianheng

2015-01-01

Hexagonal boron nitride (h-BN) has attracted significant attention because of its superior properties as well as its potential as an ideal dielectric layer for graphene-based devices. The h-BN films obtained via chemical vapour deposition in earlier reports are always polycrystalline with small grains because of high nucleation density on substrates. Here we report the successful synthesis of large single-crystal h-BN grains on rational designed Cu-Ni alloy foils. It is found that the nucleation density can be greatly reduced to 60 per mm2 by optimizing Ni ratio in substrates. The strategy enables the growth of single-crystal h-BN grains up to 7,500 μm2, approximately two orders larger than that in previous reports. This work not only provides valuable information for understanding h-BN nucleation and growth mechanisms, but also gives an effective alternative to exfoliated h-BN as a high-quality dielectric layer for large-scale nanoelectronic applications.

Crystal growth and magnetic characterization of a tetragonal polymorph of NiNb2O6

NASA Astrophysics Data System (ADS)

Munsie, T. J. S.; Millington, A.; Dube, P. A.; Dabkowska, H. A.; Britten, J.; Luke, G. M.; Greedan, J. E.

2016-04-01

A previously unidentified polymorph of nickel niobate, NiNb2O6, was grown and stabilized in single crystalline form using an optical floating zone furnace. Key parameters of the growth procedure involved use of a slight excess of NiO (1.2% by mol), an O2 atmosphere and a growth rate of 25 mm/h. The resulting boule consisted of a polycrystalline exterior shell of the columbite structure - columbite is the thermodynamically stable form of NiNb2O6 under ambient conditions - and a core region consisting of transparent yellow-green single crystals up to 5 mm×2 mm×1 mm in dimension of the previously unidentified phase. The crystal structure, solved from single crystal x-ray diffraction data, is described in the P42/n space group. Interestingly, this is not a subgroup of P42/mnm, the rutile space group. The Ni2+ ions form layers which are displaced such that interlayer magnetic frustration is anticipated. Magnetic susceptibility data shows a broad maximum at approximately 22 K and evidence for long range antiferromagnetic order at approximately 14 K, obtained by Fisher heat capacity analysis as well as heat capacity measurements. The susceptibility data for T > 25 K are well fit by a square lattice S = 1 model, consistent with the Ni sublattice topology.

Shape memory behavior of single crystal and polycrystalline Ni-rich NiTiHf high temperature shape memory alloys

NASA Astrophysics Data System (ADS)

Saghaian, Sayed M.

thermal cycling under stress and isothermal stress cycling experiments in tension. Recoverable strain of ˜5% was observed for the as-extruded samples while it was decreased to ˜4% after aging due to the formation of precipitates. The aged alloys demonstrated near perfect shape memory effect under high tensile stress level of 700 MPa and perfect superelasticity at high temperatures up to 230 °C. Finally, the tension-compression asymmetry observed in NiTiHf where recoverable tensile strain was higher than compressive strain. The shape memory properties of solutionized and aged Ni-rich Ni50.3Ti29.7Hf20 single crystals were investigated along the [001], [011], and [111] orientations in compression. [001]-oriented single crystals showed high dimensional stability under stress levels as high as 1500 MPa in both the solutionized and aged conditions, but with transformation strains of less than 2%. Perfect superelasticity with recoverable strain of more than 4% was observed for solutionized and 550 °C-3h aged single crystals along the [011] and [111] orientations, and general superelastic behavior was observed over a wide temperature range. The calculated transformation strains were higher than the experimentally observed strains since the calculated strains could not capture the formation of martensite plates with (001) compound twins. KEYWORDS: NiTiHf, High Temperature Shape memory alloys, Mechanical Characterization, High Strength Shape Memory Alloy, Orientation Dependence of NiTiHf Sayed.

Influence of Hydrogen and Number of Particle Variants on Ordinary and Two-Way Shape Memory Effects in Ti-Ni Single Crystals

NASA Astrophysics Data System (ADS)

Kireeva, I. V.; Platonova, Yu. N.; Chumlyakov, Yu. I.

2017-02-01

The ordinary and two-way shape memory effects (SMEs) are investigated for [ overline{1} 12] single crystals of Ti-51.3Ni (at.%) alloy aged at 823 K for 1.5 h in free state and under tensile stress of 150 MPa without hydrogen and after saturation by hydrogen. It is established that without hydrogen in [ overline{1} 12] single crystals with one and four variants of Ti3Ni4 particles the maximum magnitude of the ordinary SME is 1.9-2.6% under the external stress σext = 250 MPa. Under σext > 250 MPa, crystals are destroyed. The magnitude of the two-way SME caused by the B2- R- B19' MT equal to 1.1% at σext = 0 is observed in [ overline{1} 12] single crystals with one variant of Ti3Ni4 particles. The physical reason for the observed two-way SME is the internal compressive stresses oriented along the [ overline{1} 12] directions arising from one variant of Ti3Ni4 particles as a result of aging under tensile stress of 150 MPa. It is established that hydrogen does not influence the TR temperature, reduces the plasticity, and suppresses the two-way SME. The suppression of two-way SME in the [ overline{1} 12] single crystals of the Ti-51.3Ni (at.%) alloy with one variant of Ti3Ni4 particles is caused by shielding of stress fields from one variant of Ti3Ni4 particles and multiple nucleation of R- and B19' martensite variants under loading with saturation by hydrogen.

Magnetic properties and magnetocaloric effect in Pt doped Ni-Mn-Ga

NASA Astrophysics Data System (ADS)

Singh, Sanjay; D'Souza, S. W.; Mukherjee, K.; Kushwaha, P.; Barman, S. R.; Agarwal, Sandeep; Mukhopadhyay, P. K.; Chakrabarti, Aparna; Sampathkumaran, E. V.

2014-06-01

Large magnetocaloric effect is observed in Ni1.8Pt0.2MnGa close to room temperature. The entropy change shows a crossover from positive to negative sign at the martensite transition. It is negative above 1.6 T and its magnitude increases linearly with magnetic field. An increase in the saturation magnetic moment is observed with Pt doping in Ni2MnGa. Ab initio theoretical calculations show that the increase in magnetic moment with Pt doping in Ni2MnGa is associated with increase in the Mn and Pt local moments in the ferromagnetic ground state. The Curie temperature calculated from the exchange interaction parameters is in good agreement with experiment, showing the absence of any antiferromagnetic correlation due to Pt doping.

Ferromagnetism in CVT grown tungsten diselenide single crystals with nickel doping

NASA Astrophysics Data System (ADS)

Habib, Muhammad; Muhammad, Zahir; Khan, Rashid; Wu, Chuanqiang; Rehman, Zia ur; Zhou, Yu; Liu, Hengjie; Song, Li

2018-03-01

Two dimensional (2D) single crystal layered transition materials have had extensive consideration owing to their interesting magnetic properties, originating from their lattices and strong spin-orbit coupling, which make them of vital importance for spintronic applications. Herein, we present synthesis of a highly crystalline tungsten diselenide layered single crystal grown by chemical vapor transport technique and doped with nickel (Ni) to tailor its magnetic properties. The pristine WSe2 single crystal and Ni-doped crystal were characterized and analyzed for magnetic properties using both experimental and computational aspects. It was found that the magnetic behavior of the 2D layered WSe2 crystal changed from diamagnetic to ferromagnetic after Ni-doping at all tested temperatures. Moreover, first principle density functional theory (DFT) calculations further confirmed the origin of room temperature ferromagnetism of Ni-doped WSe2, where the d-orbitals of the doped Ni atom promoted the spin moment and thus largely contributed to the magnetism change in the 2D layered material.

Eutectic Formation During Solidification of Ni-Based Single-Crystal Superalloys with Additional Carbon

NASA Astrophysics Data System (ADS)

Wang, Fu; Ma, Dexin; Bührig-Polaczek, Andreas

2017-11-01

γ/ γ' eutectics' nucleation behavior during the solidification of a single-crystal superalloy with additional carbon was investigated by using directional solidification quenching method. The results show that the nucleation of the γ/ γ' eutectics can directly occur on the existing γ dendrites, directly in the remaining liquid, or on the primary MC-type carbides. The γ/γ' eutectics formed through the latter two mechanisms have different crystal orientations than that of the γ matrix. This suggests that the conventional Ni-based single-crystal superalloy castings with additional carbon only guarantee the monocrystallinity of the γ matrix and some γ/ γ' eutectics and, in addition to the carbides, there are other misoriented polycrystalline microstructures existing in macroscopically considered "single-crystal" superalloy castings.

Structure-property relationships in directionally solidified single crystal NiAl

NASA Technical Reports Server (NTRS)

Noebe, R. D.; Kim, J. T.; Gibala, R.

1987-01-01

The ordered intermetallic alloy NiAl is being considered as a potential high temperature structural material, but lack of ductility at ambient temperatures, especially in polycrystalline form, is presently a major obstacle in achieving this goal. Even general agreement of the intrinsic ductility that can be achieved in monocrystals is in dispute. In order to understand this problem, two directionally solidified ingots of NiAl which displayed known differences in ductility were characterized in sufficient detail to identify the corresponding microstructural differences. It was found that the type and size of casting defects, i.e., porosity, present in the material were the major factors in controlling ductility of NiAl single crystals and could explain the order of magnitude variance in fracture strains reported in the literature.

Ni-Mn-Ga Single Crystal Exhibiting Multiple Magnetic Shape Memory Effects

NASA Astrophysics Data System (ADS)

Heczko, Oleg; Veřtát, Petr; Vronka, Marek; Kopecky, Vít; Perevertov, Oleksiy

2016-09-01

Both magnetically induced phase transformation and magnetically induced reorientation (MIR) effects were observed in one Ni50Mn28Ga22 single crystal sample by direct measurement of the magnetic field-induced strain. We investigated various twinning microstructures ranged from single twin interface to fine twinning and crossing twins to evaluate what controls the apparent twinning stress crucial for MIR. The main challenges for the applications of these effects are outlined.

Interplay of phase sequence and electronic structure in the modulated martensites of Mn2NiGa from first-principles calculations

NASA Astrophysics Data System (ADS)

Kundu, Ashis; Gruner, Markus E.; Siewert, Mario; Hucht, Alfred; Entel, Peter; Ghosh, Subhradip

2017-08-01

We investigate the relative stability, structural properties, and electronic structure of various modulated martensites of the magnetic shape memory alloy Mn2NiGa by means of density functional theory. We observe that the instability in the high-temperature cubic structure first drives the system to a structure where modulation shuffles with a period of six atomic planes are taken into account. The driving mechanism for this instability is found to be the nesting of the minority band Fermi surface, in a similar way to that established for the prototype system Ni2MnGa . In agreement with experiments, we find 14M modulated structures with orthorhombic and monoclinic symmetries having energies lower than other modulated phases with the same symmetry. In addition, we also find energetically favorable 10M modulated structures which have not been observed experimentally for this system yet. The relative stability of various martensites is explained in terms of changes in the electronic structures near the Fermi level, affected mostly by the hybridization of Ni and Mn states. Our results indicate that the maximum achievable magnetic field-induced strain in Mn2NiGa would be larger than in Ni2MnGa . However, the energy costs for creating nanoscale adaptive twin boundaries are found to be one order of magnitude higher than that in Ni2MnGa .

Crystal structure and magnetic properties of Sr 4Mn 2NiO 9

NASA Astrophysics Data System (ADS)

El Abed, Ahmed; Gaudin, Etienne; Lemaux, Sylvain; Darriet, Jacques

2001-12-01

The crystal structure of Sr 4Mn 2NiO 9 has been refined on single crystal. This phase belongs to the series A 1+ x(A 'xB 1- x)O 3 ( x=1/3) related to the 2H-hexagonal perovskite. The structure contains transition metals in chains of oxide polyhedra (trigonal prisms and octahedra); neighboring chains are separated from each other by the Sr atoms. The sequence of the face sharing polyhedra along the chains is two octahedra + one trigonal prism. Mn occupies the octahedra and Ni is disordered in the trigonal prism with ≈80% in the pseudo square faces of the prism and ≈20% at the centre. This result has been confirmed by XANES experiments at Mn K and Ni K edges, respectively. Sr 4Mn 2NiO 9 is antiferromagnetic with a Néel temperature at T=3 K. The Curie constant measured at high temperature is in good agreement with ≈80% of the Ni 2+ ions in the spin state configuration S=0.

Crystal growth by Bridgman and Czochralski method of the ferromagnetic quantum critical material YbNi4P2

NASA Astrophysics Data System (ADS)

Kliemt, K.; Krellner, C.

2016-09-01

The tetragonal YbNi4P2 is one of the rare examples of compounds that allow the investigation of a ferromagnetic quantum critical point. We report in detail on two different methods which have been used to grow YbNi4P2 single crystals from a self-flux. The first, a modified Bridgman method, using a closed crucible system yields needle-shaped single crystals oriented along the [001]-direction. The second method, the Czochralski growth from a levitating melt, yields large single crystals which can be cut in any desired orientation. With this crucible-free method, samples without flux inclusions and a resistivity ratio at 1.8 K of RR1.8K = 17 have been grown.

Manifestations of Dynamic Strain Aging in Soft-Oriented NiAl Single Crystals

NASA Technical Reports Server (NTRS)

Weaver, M. L.; Kaufman, M. J.; Noebe, R. D.

1996-01-01

The tensile and compressive properties of six NiAl-base single-crystal alloys have been investigated at temperatures between 77 and 1200 K. The normalized critical resolved shear stresses (CRSS/E) and work-hardening rates (Theta/E) for these alloys generally decreased with increasing temperature. However, anomalous peaks or plateaus for these properties were observed in conventional purity (CPNiAl), Si-doped (NiAl-Si), C-doped low Si (UF-NiAl1), and Mo-doped (NiAl-Mo) alloys at intermediate temperatures (600 to 1000 K). This anomalous behavior was not observed in high-purity, low interstitial material (HP-NiAl). Low or negative strain-rate sensitivities (SRS) also were observed in all six alloys in this intermediate temperature range. Coincident with the occurrence of negative strain-rate sensitivities was the observation of serrated stress-strain curves in the CPNiAl and NiAl-Si alloys. These phenomena have been attributed to dynamic strain aging (DSA). Chemical analysis of the alloys used in this study suggests that the main specie responsible for strain aging in NiAl is C but indicate that residual Si impurities can enhance the strain aging effects. The corresponding dislocation microstructures at low temperatures (300 to 600 K) were composed of well-defined cells. At intermediate temperatures (600 to 900 K), either poorly defined cells or coarse bands of localized slip, reminiscent of the vein structures observed in low-cycle fatigue specimens deformed in the DSA regime, were observed in conventional purity, Si-doped, and in Mo-doped alloys. In contrast, a well-defined cell structure persisted in the low interstitial, high-purity alloy. At elevated temperatures (greater than or equal to 1000 K), more uniformly distributed dislocations and sub-boundaries were observed in all alloys. These observations are consistent with the occurrence of DSA in NiAl single-crystal alloys at intermediate temperatures.

Syntheses, crystal structures and magnetic properties of complexes based on [Ni(L-L)3]2+ complex cations with dimethylderivatives of 2,2‧-bipyridine and TCNQ

NASA Astrophysics Data System (ADS)

Černák, Juraj; Hegedüs, Michal; Váhovská, Lucia; Kuchár, Juraj; Šoltésová, Daniela; Čižmár, Erik; Feher, Alexander; Falvello, L. R.

2018-03-01

From the aqueous-methanolic systems Ni(NO3)2 - LiTCNQ - 5,5‧-dmbpy and Ni(NO3)2 - LiTCNQ - 4,4‧-dmbpy three novel complexes [Ni(5,5‧-dmbpy)3](TCNQ)2 (1), [Ni(4,4‧-dmbpy)3](TCNQ)2 (2) and [Ni(4,4‧-dmbpy)3]2(TCNQ-TCNQ)(TCNQ)2•0.60H2O (3), were isolated in single crystal form. The new compounds were identified using chemical analyses and IR spectroscopy. Single crystal studies of all samples corroborated their compositions and have shown that their ionic structures contain the complex cations [Ni(5,5‧-dmbpy)]2+ (1) or [Ni(4,4‧-dmbpy)]2+ (2 and 3). The anionic parts of the respective crystal structures 1-3 are formed by TCNQṡ- anion-radicals and in 3 also by a σ-dimerized dianion (TCNQ-TCNQ)2- with a C-C distance of 1.663(5) Å. The supramolecular structures are governed by weak hydrogen bonding interactions. The variable-temperature (2-300 K) magnetic studies of 1 and 3 confirmed the presence of magnetically active Ni(II) atoms with S = 1 and TCNQṡ- anion-radicals with S = 1/2 while the (TCNQ-TCNQ)2- dianion is magnetically silent. The magnetic behavior was described by a complex magnetic model assuming strong antiferromagnetic interactions between some TCNQṡ- anion-radicals.

Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on magnetic shape memory effect

NASA Astrophysics Data System (ADS)

Heczko, O.; Drahokoupil, J.; Straka, L.

2015-05-01

Enhanced magnetic hysteresis due to boron doping in combination with magnetic shape memory effect in Ni-Mn-Ga single crystal results in new interesting functionality of magnetic shape memory (MSM) alloys such as mechanical demagnetization. In Ni50.0Mn28.5Ga21.5 single crystal, the boron doping increased magnetic coercivity from few Oe to 270 Oe while not affecting the transformation behavior and 10 M martensite structure. However, the magnetic field needed for MSM effect also increased in doped sample. The magnetic behavior is compared to undoped single crystal of similar composition. The evidence from the X-ray diffraction, magnetic domain structure, magnetization loops, and temperature evolution of the magnetic coercivity points out that the enhanced hysteresis is caused by stress-induced anisotropy.

Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN) 4

DOE PAGES

Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; ...

2013-01-01

This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN) 4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P2 1/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å 3, Z = 4, D c = 1.46 g cm -1. Ni(bpene)[Ni(CN) 4] assumes a pillared layer structure with layers defined by Ni[Ni(CN) 4] n nets and bpene ligands acting as pillars. With the present crystallization technique which involvesmore » the use of concentrated ammonium hydroxide solution and dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN) 4](1/2)bpene∙DMSO 2H 2O, or Ni 2N 7C 24H 25SO 3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO 2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO 2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO 2 per unit cell was obtained.« less

Orientation Dependence of Functional Properties in Heterophase Single Crystals of the Ti36.5Ni51.0Hf12.5 and Ti48.5Ni51.5 Alloys

NASA Astrophysics Data System (ADS)

Panchenko, E. Yu.; Chumlyakov, Yu. I.; Surikov, N. Yu.; Tagiltsev, A. I.; Vetoshkina, N. G.; Osipovich, K. S.; Maier, H.; Sehitoglu, H.

2016-03-01

The features of orientation dependence of stress-induced thermoelastic B2-( R)- B19'-martensitic transformations in single crystals of the Ti48.5Ni51.5 and Ni51.0Ti36.5Hf12.5 (at.%) alloys, which contain disperse particles of the Ti3Ni4 and H-phase, respectively, are revealed along with those of their shape-memory effects (SME) and superelasticity (SE). It is experimentally demonstrated that irrespective of the crystal structure of disperse particles measuring more than 100 nm, for their volume fraction f > 16% there is a weaker orientation dependence of the reversible strain in the cases of manifestation of SME and SE. In the orientations of Class I, wherein martensitic detwinning introduces a considerable contribution into transformation strain, the values of SME |ɛ SME | and SE |ɛ SE | decrease by over a factor of two compared to the theoretical lattice strain value |ɛ tr0 | for a B2- B19'-transformation and the experimental values of reversible strain for quenched TiNi crystals. In the orientations of Class 2, wherein detwinning of the martensite is suppressed as is the case in quenched single-phase single crystals, the reversible strain is maintained close to its theoretical value |ɛ tr0 |. Micromechanical models of interaction between the martensite and the disperse particles are proposed, which account for the weaker orientation dependence of |ɛ SME | and |ɛ SE | due to suppression of detwinning of the B19'-martensite crystals by the particles and a transition from a single-variant evolution of the stress-induced martensitic transformations to a multiple-variant evolution of transformations in the cases of increased size of the particles and their larger volume fractions.

Magnetic Torque in Single Crystal Ni-Mn-Ga

NASA Astrophysics Data System (ADS)

Hobza, Anthony; Müllner, Peter

2017-06-01

Magnetic shape memory alloys deform in an external magnetic field in two distinct ways: by axial straining—known as magnetic-field-induced strain—and by bending when exposed to torque. Here, we examine the magnetic torque that a magnetic field exerts on a long Ni-Mn-Ga rod. A single crystal specimen of Ni-Mn-Ga was constrained with respect to bending and subjected to an external magnetic field. The torque required to rotate the specimen in the field was measured as a function of the orientation of the sample with the external magnetic field, strain, and the magnitude of the external magnetic field. The torque was analyzed based on the changes in the free energy with the angle between the field and the sample. The contributions of magnetocrystalline anisotropy and shape anisotropy to the Zeeman energy determine the net torque. The torque is large when magneotcrystalline and shape anisotropies act synergistically and small when these anisotropies act antagonistically.

A micromechanical constitutive model for anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals

NASA Astrophysics Data System (ADS)

Yu, Chao; Kang, Guozheng; Kan, Qianhua

2015-09-01

Based on the experimental observations on the anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals done by Gall and Maier (2002), a crystal plasticity based micromechanical constitutive model is constructed to describe such anisotropic cyclic deformation. To model the internal stress caused by the unmatched inelastic deformation between the austenite and martensite phases on the plastic deformation of austenite phase, 24 induced martensite variants are assumed to be ellipsoidal inclusions with anisotropic elasticity and embedded in the austenite matrix. The homogeneous stress fields in the austenite matrix and each induced martensite variant are obtained by using the Mori-Tanaka homogenization method. Two different inelastic mechanisms, i.e., martensite transformation and transformation-induced plasticity, and their interactions are considered in the proposed model. Following the assumption of instantaneous domain growth (Cherkaoui et al., 1998), the Helmholtz free energy of a representative volume element of a NiTi shape memory single crystal is established and the thermodynamic driving forces of the internal variables are obtained from the dissipative inequalities. The capability of the proposed model to describe the anisotropic cyclic deformation of super-elastic NiTi single crystals is first verified by comparing the predicted results with the experimental ones. It is concluded that the proposed model can capture the main quantitative features observed in the experiments. And then, the proposed model is further used to predict the uniaxial and multiaxial transformation ratchetting of a NiTi single crystal.

Crystallization and growth of Ni-Si alloy thin films on inert and on silicon substrates

NASA Astrophysics Data System (ADS)

Grimberg, I.; Weiss, B. Z.

1995-04-01

The crystallization kinetics and thermal stability of NiSi2±0.2 alloy thin films coevaporated on two different substrates were studied. The substrates were: silicon single crystal [Si(100)] and thermally oxidized silicon single crystal. In situ resistance measurements, transmission electron microscopy, x-ray diffraction, Auger electron spectroscopy, and Rutherford backscattering spectroscopy were used. The postdeposition microstructure consisted of a mixture of amorphous and crystalline phases. The amorphous phase, independent of the composition, crystallizes homogeneously to NiSi2 at temperatures lower than 200 °C. The activation energy, determined in the range of 1.4-2.54 eV, depends on the type of the substrate and on the composition of the alloyed films. The activation energy for the alloys deposited on the inert substrate was found to be lower than for the alloys deposited on silicon single crystal. The lowest activation energy was obtained for nonstoichiometric NiSi2.2, the highest for NiSi2—on both substrates. The crystallization mode depends on the structure of the as-deposited films, especially the density of the existing crystalline nuclei. Substantial differences were observed in the thermal stability of the NiSi2 compound on both substrates. With the alloy films deposited on the Si substrate, only the NiSi2 phase was identified after annealing to temperatures up to 800 °C. In the films deposited on the inert substrate, NiSi and NiSi2 phases were identified when the Ni content in the alloy exceeded 33 at. %. The effects of composition and the type of substrate on the crystallization kinetics and thermal stability are discussed.

Effects of withdrawal rate and starter block size on crystal orientation of a single crystal Ni-based superalloy

NASA Astrophysics Data System (ADS)

Rezaei, M.; Kermanpur, A.; Sadeghi, F.

2018-03-01

Fabrication of single crystal (SC) Ni-based gas turbine blades with a minimum crystal misorientation has always been a challenge in gas turbine industry, due to its significant influence on high temperature mechanical properties. This paper reports an experimental investigation and numerical simulation of the SC solidification process of a Ni-based superalloy to study effects of withdrawal rate and starter block size on crystal orientation. The results show that the crystal misorientation of the sample with 40 mm starter block height is decreased with increasing withdrawal rate up to about 9 mm/min, beyond which the amount of misorientation is increased. It was found that the withdrawal rate, height of the starter block and temperature gradient are completely inter-dependent and indeed achieving a SC specimen with a minimum misorientation needs careful optimization of these process parameters. The height of starter block was found to have higher impact on crystal orientation compared to the withdrawal rate. A suitable withdrawal rate regime along with a sufficient starter block height was proposed to produce SC parts with the lowest misorientation.

Porosity Evolution in a Creeping Single Crystal (Preprint)

DTIC Science & Technology

2012-08-01

1] indicated that the growth of initially present processing induced voids in a nickel based single crystal superalloy played a significant role in...processing induced voids in a nickel based single crystal superalloy played a significant role in limiting creep life. Also, creep tests on single...experimental observations of creep deformation and failure of a nickel based single crystal superalloy, [1, 2]. Metallographic observations have shown that Ni

Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on magnetic shape memory effect

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

Heczko, O., E-mail: heczko@fzu.cz; Drahokoupil, J.; Straka, L.

2015-05-07

Enhanced magnetic hysteresis due to boron doping in combination with magnetic shape memory effect in Ni-Mn-Ga single crystal results in new interesting functionality of magnetic shape memory (MSM) alloys such as mechanical demagnetization. In Ni{sub 50.0}Mn{sub 28.5}Ga{sub 21.5} single crystal, the boron doping increased magnetic coercivity from few Oe to 270 Oe while not affecting the transformation behavior and 10 M martensite structure. However, the magnetic field needed for MSM effect also increased in doped sample. The magnetic behavior is compared to undoped single crystal of similar composition. The evidence from the X-ray diffraction, magnetic domain structure, magnetization loops, and temperature evolutionmore » of the magnetic coercivity points out that the enhanced hysteresis is caused by stress-induced anisotropy.« less

Postsynthetic Improvement of the Physical Properties in a Metal-Organic Framework through a Single Crystal to Single Crystal Transmetallation.

PubMed

Grancha, Thais; Ferrando-Soria, Jesús; Zhou, Hong-Cai; Gascon, Jorge; Seoane, Beatriz; Pasán, Jorge; Fabelo, Oscar; Julve, Miguel; Pardo, Emilio

2015-05-26

A single crystal to single crystal transmetallation process takes place in the three-dimensional (3D) metal-organic framework (MOF) of formula Mg(II) 2 {Mg(II) 4 [Cu(II) 2 (Me3 mpba)2 ]3 }⋅45 H2 O (1; Me3 mpba(4-) =N,N'-2,4,6-trimethyl-1,3-phenylenebis(oxamate)). After complete replacement of the Mg(II) ions within the coordination network and those hosted in the channels by either Co(II) or Ni(II) ions, 1 is transmetallated to yield two novel MOFs of formulae Co2 (II) {Co(II) 4 [Cu(II) 2 (Me3 mpba)2 ]3 }⋅56 H2 O (2) and Ni2 (II) {Ni(II) 4 [Cu(II) 2 (Me3 mpba)2 ]3 }⋅ 54 H2 O (3). This unique postsynthetic metal substitution affords materials with higher structural stability leading to enhanced gas sorption and magnetic properties. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Macroscopic inhomogeneous deformation behavior arising in single crystal Ni-Mn-Ga foils under tensile loading

NASA Astrophysics Data System (ADS)

Murasawa, Go; Yeduru, Srinivasa R.; Kohl, Manfred

2016-12-01

This study investigated macroscopic inhomogeneous deformation occurring in single-crystal Ni-Mn-Ga foils under uniaxial tensile loading. Two types of single-crystal Ni-Mn-Ga foil samples were examined as-received and after thermo-mechanical training. Local strain and the strain field were measured under tensile loading using laser speckle and digital image correlation. The as-received sample showed a strongly inhomogeneous strain field with intermittence under progressive deformation, but the trained sample result showed strain field homogeneity throughout the specimen surface. The as-received sample is a mainly polycrystalline-like state composed of the domain structure. The sample contains many domain boundaries and large domain structures in the body. Its structure would cause large local strain band nucleation with intermittence. However, the trained one is an ideal single-crystalline state with a transformation preferential orientation of variants after almost all domain boundary and large domain structures vanish during thermo-mechanical training. As a result, macroscopic homogeneous deformation occurs on the trained sample surface during deformation.

Magneto-optical study of Ba(Fe{sub 1-x}M{sub x}{sub 2}As{sub2} (M = Co and Ni) single crystals irradiated with heavy ions.

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

Prozorov, R.; Tanatar, M. A.; Roy, B.

Optimally doped single crystals of Ba(Fe{sub 1-x}M{sub x}){sub 2}As{sub 2} (M=Co, Ni) were irradiated with 1.4 GeV {sup 208}Pb{sup 56+} ions at fluences corresponding to matching fields of B{phi} = 0.1, 0.5, 1, and 2 T. Magneto-optical imaging has been used to map the distribution of the magnetic induction in the irradiated samples. The imaging is complemented by the magnetization measurements. The results show a substantial enhancement of the apparent critical current densities as revealed by the much larger Bean penetration fields and an increase in the hysteretic magnetization. However, the effect depends on the compound, temperature, and applied magneticmore » field. In Ba(Fe{sub 0.926}Co{sub 0.074}){sub 2}As{sub 2} crystals, at 15 K and low fields, the enhancement appears to scale with the irradiation dose at a rate of about 0.27 MA {center_dot} cm{sup -2} T{sup -1}, whereas in Ba(Fe{sub 0.954}Ni{sub 0.046}){sub 2}As{sub 2} crystals, higher irradiation doses are less effective. Our results suggest that moderate irradiation with heavy ions is an effective way to homogeneously enhance the current-currying capabilities of pnictide superconductors.« less

RNi2B2C (R = Ho, Dy, Tb and Pr) single crystals grown by the cold copper crucible method

NASA Astrophysics Data System (ADS)

Durán, A.; Munoz, E.; Bernès, S.; Escudero, R.

2000-08-01

Single crystals of RNi2B2C (R = Ho, Dy, Tb, Pr) have been grown on cold copper crucibles in a high-frequency induction furnace. As a result, shiny metallic and brittle platelike single crystals were obtained. They were examined by x-ray and scanning electron microscopy with WDX/EDX for local composition analysis and show a very good crystallographic structure and compositions. Resistivity and dc magnetic measurements were performed to study superconducting and magnetic properties. Besides known electronic properties of the RNi2B2C family, we report for the first time results for PrNi2B2C single crystals successfully obtained by this technique.

Burner Rig Hot Corrosion of a Single Crystal Ni-48Al-Ti-Hf-Ga Alloy

NASA Technical Reports Server (NTRS)

Nesbitt, James A.; Darolia, Ram; Cuy, Michael D.

1998-01-01

The hot corrosion resistance of a single crystal Ni-48Al-1Ti-0.5Hf-0.2Ga alloy was examined in a Mach 0.3 burner rig at 900 C for 300 hours. The combustion chamber was doped with 2 ppmw synthetic sea salt. The hot corrosion attack produced a random mound morphology on the surface. Microstructurally, the hot corrosion attack appeared to initiate with oxide-filled pits which were often broad and shallow. At an intermediate stage, the pits increased in size to incorporate unoxidized Ni islands in the corrosion product. The rampant attack stage, which was observed only at sharp sample corners, was characterized by rapid inward growth of alumina in finger-like protrusions incorporating significant amounts of Al-depleted Ni islands. Aluminum consumption in the oxide fingers resulted in the growth of a gamma' layer ahead of the advancing oxide fingers.

Spin injection in epitaxial MnGa(111)/GaN(0001) heterostructures

NASA Astrophysics Data System (ADS)

Zube, Christian; Malindretos, Joerg; Watschke, Lars; Zamani, Reza R.; Disterheft, David; Ulbrich, Rainer G.; Rizzi, Angela; Iza, Michael; Keller, Stacia; DenBaars, Steven P.

2018-01-01

Ferromagnetic MnGa(111) layers were grown on GaN(0001) by molecular beam epitaxy. MnGa/GaN Schottky diodes with a doping level of around n = 7 × 1018 cm-3 were fabricated to achieve single step tunneling across the metal/semiconductor junction. Below the GaN layer, a thin InGaN quantum well served as optical spin detector ("spin-LED"). For electron spin injection from MnGa into GaN and subsequent spin transport through a 45 nm (70 nm) thick GaN layer, we observe a circular polarization of 0.3% (0.2%) in the electroluminescence at 80 K. Interface mixing, spin polarization losses during electrical transport in the GaN layer, and spin relaxation in the InGaN quantum well are discussed in relation with the low value of the optically detected spin polarization.

Microscopic, Transport and Thermodynamic properties of Ca10(Pt3As8)((Fe1-xTMx)2As2)5 (TM=Co, Ni) single crystals

NASA Astrophysics Data System (ADS)

Jiang, Shan; Ni, Ni

2015-03-01

Here we report detailed microscopic, transport and thermodynamic measurements on two series of high quality single crystals Ca10(Pt3As8)((Fe1-xTMx)2As2)5 (TM=Co, Ni). With electron doping on Fe sites, the structural/magnetic phase transitions in the parent compound were suppressed at a rate of roughly -7K per 0.01Co doping and -9K per 0.01Ni doping. Superconductivity emerges in the region of 0 . 048 < x < 0 . 20 for Co doping with optimal Tc of 13.5K (x = 0 . 11) while it occurs in the region of 0 . 035 < x < 0 . 11 for Ni doping with optimal Tc of 9.6K (x = 0 . 064). No coexistence of AFM and SC is observed, which is different from the well-studied 122 Fe-pnictides but reminiscent the one of La1111. The comparison of the effect between Co- and Ni- doping on 10-3-8 shows that rigid band approximation is likely working for these two dopants in this superconducting family.

Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations

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

Tian, Jian; Saraf, Laxmikant V.; Schwenzer, Birgit

2012-05-25

Flexible anionic metal-organic frameworks transform to neutral heterobimetallic systems via single-crystal-to-single-crystal processes invoked by cation insertion. These transformations are directed by cooperative bond breakage and formation, resulting in expansion or contraction of the 3D framework by up to 33% due to the flexible nature of the organic linker. These MOFs displays highly selective uptake of divalent transition metal cations (Co2+ and Ni2+ for example) over alkali metal cations (Li+ and Na+).

1300 K Creep Behavior of [001] Oriented Ni-49Al-1Hf (at.%) Single Crystals

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Locci, I. E.; Darolia, Ram; Bowman, R.

1999-01-01

A study of the 1300 K compressive and tensile creep properties of [001]-oriented NiAl-1Hf (D209) single crystals has been undertaken. Neither post homogenization cooling treatment, minor chemical variations within an ingot or from ingot-to-ingot, nor testing procedure had a significant effect on mechanical behavior; however a heat treatment which dissolved the initial G-phase precipitates and promoted formation of Heusler particles led to a strength reduction. Little primary creep was found utilizing direct measurement of strain, and a misorientation of 18 deg from the [001] did not reduce the creep strength. The effects of heat treatments on properties and a comparison of the flow stress-strain rate data to those predicted by the Jaswon-Cottrell solid solution hardening model indicate that the 1300 K strength in NiAl-1Hf single crystals is mainly due to precipitation hardening mechanisms.

Compositions of supersaturated solutions for enhanced growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and K(H{sub x}D{sub 1-x}){sub 2}PO{sub 4} single crystals

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

Soboleva, L. V., E-mail: afkonst@ns.crys.ras.ru

2008-05-15

The possibility of determining the optimal compositions and temperatures of supersaturated solutions for enhanced growth of single crystals of congruently and incongruently dissolving solid phases from the solubility diagrams of ternary systems is shown, and this approach is justified. The NiSO{sub 4}-H{sub 2}SO{sub 4}-H{sub 2}O, Me{sub 2}SO{sub 4}-NiSO{sub 4}-H{sub 2}O, and Me{sub 2}O-P{sub 2}O{sub 5}-H{sub 2}O(D{sub 2}O) systems have been used to determine the optimal compositions and temperatures of supersaturated solutions for growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and Kmore » (H{sub x} D{sub 1-x}){sub 2}PO{sub 4} (D is deuterium) single crystals.« less

Screening of Possible Re-Substitutional Elements in Single-Crystal Ni-Based Superalloys: A Viewpoint From Interdiffusion Coefficients in Ni-Al-X Ternaries

NASA Astrophysics Data System (ADS)

Chen, Juan; Zhang, Lijun; Lu, Xiao-Gang

2018-05-01

A popular area of research in the field of high-temperature alloys concerns the search of substitutional elements for Re in order to manufacture single-crystal Ni-based superalloys with less or even no Re addition. To find the elements with similar or even lower diffusion coefficients than Re is an effective strategy. Based on 29 fcc diffusion couples in ternary Ni-Al-X (X = Re, Os, and Ir) systems, high-throughput measurement of composition- and temperature-dependent interdiffusivity matrices was performed using our recently developed numerical inverse method implemented in HitDIC software. The reliability of the determined interdiffusivities was validated by comprehensively comparing the model-predicted composition/interdiffusion flux profiles for each diffusion couple with the corresponding experimental data. Moreover, we also conducted a comparison with the interdiffusivities evaluated using the traditional Matano-Kirkaldy method as well as those from the literature and in boundary binary systems. After that, a comprehensive comparison of the interdiffusion coefficients in fcc Ni-2 wt pct Al-6 wt pct X (X = Ti, Co, Ni, Nb, Mo, Ru, Rh, Ta, W, Re, Os, Ir, and Pt) alloys at 1423 K to 1573 K was conducted. Results indicate that the diffusion rate of Re is lower than that of Os at 1473 K and 1523 K; but higher at 1573 K, while the diffusion rate of Ir is always slightly higher than those of Os and Re at 1473 K to 1573 K. Further analysis of the magnitude of the interdiffusion coefficient correlates with the alloying concentration, activation energy, atomic number, and atomic radius of different diffusing transition metal species (i.e., Ti, Co, Ni, Nb, Mo, Ru, Rh, Ta, W, Re, Os, Ir, and Pt) was conducted, which is expected to provide useful information regarding element choice in the development of new-generation Ni-based single-crystal superalloys.

Screening of Possible Re-Substitutional Elements in Single-Crystal Ni-Based Superalloys: A Viewpoint From Interdiffusion Coefficients in Ni-Al-X Ternaries

NASA Astrophysics Data System (ADS)

Chen, Juan; Zhang, Lijun; Lu, Xiao-Gang

2018-07-01

A popular area of research in the field of high-temperature alloys concerns the search of substitutional elements for Re in order to manufacture single-crystal Ni-based superalloys with less or even no Re addition. To find the elements with similar or even lower diffusion coefficients than Re is an effective strategy. Based on 29 fcc diffusion couples in ternary Ni-Al-X (X = Re, Os, and Ir) systems, high-throughput measurement of composition- and temperature-dependent interdiffusivity matrices was performed using our recently developed numerical inverse method implemented in HitDIC software. The reliability of the determined interdiffusivities was validated by comprehensively comparing the model-predicted composition/interdiffusion flux profiles for each diffusion couple with the corresponding experimental data. Moreover, we also conducted a comparison with the interdiffusivities evaluated using the traditional Matano-Kirkaldy method as well as those from the literature and in boundary binary systems. After that, a comprehensive comparison of the interdiffusion coefficients in fcc Ni-2 wt pct Al-6 wt pct X (X = Ti, Co, Ni, Nb, Mo, Ru, Rh, Ta, W, Re, Os, Ir, and Pt) alloys at 1423 K to 1573 K was conducted. Results indicate that the diffusion rate of Re is lower than that of Os at 1473 K and 1523 K; but higher at 1573 K, while the diffusion rate of Ir is always slightly higher than those of Os and Re at 1473 K to 1573 K. Further analysis of the magnitude of the interdiffusion coefficient correlates with the alloying concentration, activation energy, atomic number, and atomic radius of different diffusing transition metal species ( i.e., Ti, Co, Ni, Nb, Mo, Ru, Rh, Ta, W, Re, Os, Ir, and Pt) was conducted, which is expected to provide useful information regarding element choice in the development of new-generation Ni-based single-crystal superalloys.

Controlled crystallization and granulation of nano-scale β-Ni(OH) 2 cathode materials for high power Ni-MH batteries

NASA Astrophysics Data System (ADS)

He, Xiangming; Li, Jianjun; Cheng, Hongwei; Jiang, Changyin; Wan, Chunrong

A novel synthesis of controlled crystallization and granulation was attempted to prepare nano-scale β-Ni(OH) 2 cathode materials for high power Ni-MH batteries. Nano-scale β-Ni(OH) 2 and Co(OH) 2 with a diameter of 20 nm were prepared by controlled crystallization, mixed by ball milling, and granulated to form about 5 μm spherical grains by spray drying granulation. Both the addition of nano-scale Co(OH) 2 and granulation significantly enhanced electrochemical performance of nano-scale Ni(OH) 2. The XRD and TEM analysis shown that there were a large amount of defects among the crystal lattice of as-prepared nano-scale Ni(OH) 2, and the DTA-TG analysis shown that it had both lower decomposition temperature and higher decomposition reaction rate, indicating less thermal stability, as compared with conventional micro-scale Ni(OH) 2, and indicating that it had higher electrochemical performance. The granulated grains of nano-scale Ni(OH) 2 mixed with nano-scale Co(OH) 2 at Co/Ni = 1/20 presented the highest specific capacity reaching its theoretical value of 289 mAh g -1 at 1 C, and also exhibited much improved electrochemical performance at high discharge capacity rate up to 10 C. The granulated grains of nano-scale β-Ni(OH) 2 mixed with nano-scale Co(OH) 2 is a promising cathode active material for high power Ni-MH batteries.

Microstructure and mechanical properties of a single crystal NiAl alloy with Zr or Hf rich G-phase precipitates

NASA Technical Reports Server (NTRS)

Locci, I. E.; Noebe, R. D.; Bowman, R. R.; Miner, R. V.; Nathal, M. V.; Darolia, R.

1991-01-01

The possibility of producing NiAl reinforced with the G-phase (Ni16X6Si7), where X is Zr or Hf, has been investigated. The microstructure of these NiAl alloys have been characterized in the as-cast and annealed conditions. The G-phases are present as fine cuboidal precipitates (10 to 40 nm) and have lattice parameters almost four times that of NiAl. They are coherent with the matrix and fairly resistant to coarsening during annealing heat treatments. Segregation and nonuniform precipitate distribution observed in as-cast materials were eliminated by homogenization at temperatures near 1600 K. Slow cooling from these temperatures resulted in large plate shaped precipitates, denuded zones, and a loss of coherency in some of the large particles. Faster cooling produced a homogeneous fine distribution of cuboidal G-phase particles in the matrix. Preliminary mechanical properties for the Zr-doped alloy are presented and compared to binary single crystal NiAl. The presence of these precipitates appears to have an important strengthening effect at temperatures not less than 1000 K compared to binary NiAl single crystals.

Cryo-quenched Fe-Ni-Cr alloy single crystals: A new decorative steel

DOE PAGES

Boatner, Lynn A.; Kolopus, James A.; Lavrik, Nicolay V.; ...

2016-08-31

In this paper, a decorative steel is described that is formed by a process that is unlike that of the fabrication methods utilized in making the original Damascus steels over 2000 years ago. The decorative aspect of the steel arises from a three-dimensional surface pattern that results from cryogenically quenching polished austenitic alloy single crystals into the martensitic phase that is present below 190 K. No forging operations are involved – the mechanism is entirely based on the metallurgical phase properties of the ternary alloy. The symmetry of the decorative pattern is determined and controlled by the crystallographic orientation andmore » symmetry of the 70%Fe,15%Ni,15%Cr alloy single crystals. Finally, in addition to using “cuts” made along principal crystallographic surface directions, an effectively infinite number of other random-orientation “cuts” can be utilized to produce decorative patterns where each pattern is unique after the austenitic-to-martensitic phase transformation.« less

Hot Corrosion of Single-Crystal NiAl-X Alloys

NASA Technical Reports Server (NTRS)

Nesbitt, James A.

1998-01-01

Several single-crystal NiAl-X alloys (X=Hf, Ti, Cr, Ga) underwent hot corrosion testing in a Mach 0.3 burner rig at 900 deg. C for 300 1-hr cycles. The surface morphology after testing consisted of either mounds or an inward, uniform-type of attack which preserved surface features. It was observed that the surface morphology was affected by the surface preparation treatments. Microstructurally, the hot corrosion attack initiated as pits but evolved to a rampant attack consisting of the rapid inward growth of Al2O3. Electropolishing and chemical milling produced many pits and grooves on the surface. However, the presence of pits and grooves did not appear to strongly influence the hot corrosion response. Attack on many samples was strongly localized which was attributed to compositional inhomogeneity within the samples. It was found that increasing the Ti content from 1% to 5 % degraded the hot corrosion response of these alloys. In contrast, the addition of 1-2% Cr reduced the susceptibility of these alloys to hot corrosion attack and negated the deleterious effect of the 4-5% Ti addition.

Synthesis, crystal structure, photoluminescence and electrochemical properties of a sandwiched Ni2Ce complex

NASA Astrophysics Data System (ADS)

Güngör, Seyit Ali; Kose, Muhammet

2017-12-01

In this study, a Ni2Ce complex [(NiL)2Ce(NO3)2](NO3) was synthesized and characterized by spectroscopic and analytical methods. The structure of the complex was determined by single crystal X-ray diffraction study. In the structure of the complex, a Ce(III) ion is sandwiched between the two NiL units, which are virtually parallel to each other. The Ce(III) center is 12-coordinate, surrounded by 12 oxygen atoms; four are from phenolic groups, four from methoxy groups, and four from two bidentate nitrate ligands. Hirshfeld surface analysis was used to evaluate the inter-molecular interactions within the crystal packing. The complex molecules are linked by H⋯ONO2 interactions. The largest contribution is H⋯O/O⋯H with 41.6% contribution and followed by H⋯H contacts with 39.1%. The complex showed an excitation band in the range of 510-580 nm. A band in the range of 520-580 nm observed in the emission spectrum almost completely overlapped. This suggests that the band in the emission spectrum of the complex is not the actual fluorescence emission and is assigned to the Rayleigh scattering band. Electrochemical and thermal behaviours of the complex were also investigated.

Anisotropic Properties of Single-Crystalline CeNiGe2

NASA Astrophysics Data System (ADS)

Jung, M. H.; Harrison, N.; Lacerda, A. H.; Pagliuso, P. G.; Sarrao, J. L.; Thompson, J. D.

2002-07-01

The anisotropic properties of CeNiGe2 with a layered crystal structure have been studied by measurements of electrical resistivity, magnetic susceptibility and magnetization. It is confirmed that CeNiGe2 undergoes two-step antiferromagnetic transition at TNI = 4 K and TNII = 3 K as reported earlier on polycrystalline samples. CeNiGe2 is found to exhibit highly anisotropic properties with an easy magnetization axis along the longest crystallographic b direction. The magnetization ratio M(H//b)/M(H⊥b) is estimated to be about 15 at 5 T. The in-plane resistivity ρ⊥b(T) shows double maxima typical of that expected when an interplay of crystal-field and Kondo effects plays a role. The low-T maximum at 4 K in ρ⊥b(T) is strongly suppressed with increasing magnetic field. This negative magnetoresistance is a result of the strong reduction of magnetic scattering by the ferromagnetic alignment of Ce magnetic moments.

Structure and magnetic properties of flux grown single crystals of Co3-xFexSn2S2 shandites

NASA Astrophysics Data System (ADS)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2016-01-01

We report a successful single crystal growth of the shandite-type half-metallic ferromagnet Co3Sn2S2, and its Fe-substituted compounds, Co3-xFexSn2S2, by employing the flux method. Although Fe3Sn2S2 is unstable phase, we found that using the self Sn flux enables us to obtain single phase crystals up to x=0.53. The chemical composition of the grown plate-shaped single crystals was examined using wavelength-dispersive X-ray spectroscopy. The shandite structure with R 3 ̅m symmetry was confirmed by powder X-ray diffraction and the crystal structure parameters were refined using the Rietveld method. Magnetization measurements show suppression of the ferromagnetic order upon Fe-substitution , as well as in other substituted systems such as In- and Ni-substituted Co3Sn2S2. The almost identical magnetic phase diagrams of the Fe- and In-substituted compounds indicate that the electron number is dominantly significant to the magnetism in the Co-based shandite.

Localized deformation in Ni-Mn-Ga single crystals

NASA Astrophysics Data System (ADS)

Davis, Paul H.; Efaw, Corey M.; Patten, Lance K.; Hollar, Courtney; Watson, Chad S.; Knowlton, William B.; Müllner, Peter

2018-06-01

The magnetomechanical behavior of ferromagnetic shape memory alloys such as Ni-Mn-Ga, and hence the relationship between structure and nanoscale magnetomechanical properties, is of interest for their potential applications in actuators. Furthermore, due to its crystal structure, the behavior of Ni-Mn-Ga is anisotropic. Accordingly, nanoindentation and magnetic force microscopy were used to probe the nanoscale mechanical and magnetic properties of electropolished single crystalline 10M martensitic Ni-Mn-Ga as a function of the crystallographic c-axis (easy magnetization) direction relative to the indentation surface (i.e., c-axis in-plane versus out-of-plane). Load-displacement curves from 5-10 mN indentations on in-plane regions exhibited pop-in during loading, whereas this phenomenon was absent in out-of-plane regions. Additionally, the reduced elastic modulus measured for the c-axis out-of-plane orientation was ˜50% greater than for in-plane. Although heating above the transition temperature to the austenitic phase followed by cooling to the room temperature martensitic phase led to partial recovery of the indentation deformation, the magnitude and direction of recovery depended on the original relative orientation of the crystallographic c-axis: positive recovery for the in-plane orientation versus negative recovery (i.e., increased indent depth) for out-of-plane. Moreover, the c-axis orientation for out-of-plane regions switched to in-plane upon thermal cycling, whereas the number of twins in the in-plane regions increased. We hypothesize that dislocation plasticity contributes to the permanent deformation, while pseudoelastic twinning causes pop-in during loading and large recovery during unloading in the c-axis in-plane case. Minimization of indent strain energy accounts for the observed changes in twin orientation and number following thermal cycling.

Effects of a High Magnetic Field on the Microstructure of Ni-Based Single-Crystal Superalloys During Directional Solidification

NASA Astrophysics Data System (ADS)

Xuan, Weidong; Lan, Jian; Liu, Huan; Li, Chuanjun; Wang, Jiang; Ren, Weili; Zhong, Yunbo; Li, Xi; Ren, Zhongming

2017-08-01

High magnetic fields are widely used to improve the microstructure and properties of materials during the solidification process. During the preparation of single-crystal turbine blades, the microstructure of the superalloy is the main factor that determines its mechanical properties. In this work, the effects of a high magnetic field on the microstructure of Ni-based single-crystal superalloys PWA1483 and CMSX-4 during directional solidification were investigated experimentally. The results showed that the magnetic field modified the primary dendrite arm spacing, γ' phase size, and microsegregation of the superalloys. In addition, the size and volume fractions of γ/ γ' eutectic and the microporosity were decreased in a high magnetic field. Analysis of variance (ANOVA) results showed that the effect of a high magnetic field on the microstructure during directional solidification was significant ( p < 0.05). Based on both experimental results and theoretical analysis, the modification of microstructure was attributed to thermoelectric magnetic convection occurring in the interdendritic regions under a high magnetic field. The present work provides a new method to optimize the microstructure of Ni-based single-crystal superalloy blades by applying a high magnetic field.

Large tensile superelasticity from intermartensitic transformations in Ni49Mn28Ga23 single crystal

NASA Astrophysics Data System (ADS)

Chernenko, V. A.; Villa, E.; Salazar, D.; Barandiaran, J. M.

2016-02-01

A multistep superelastic behavior, with up to a 12% strain, is reported in a <001>P-oriented Ni49Mn28Ga23 single crystal. The observed behavior is produced by intermartensitic transformations during the tensile stress-strain measurements at temperatures between -140 °C and +60 °C. The tensile stress-temperature phase diagram and the stress dependence of the intermartensitic transformation entropies have been obtained. These results provide important input for theoretical modeling of the phase transformations in these alloys and show promising mechanical properties of the classical Ni-Mn-Ga ferromagnetic shape memory alloys.

The transient oxidation of single crystal NiAl+Zr. M.S. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Doychak, J. K.

1983-01-01

The 800 C oxidation of oriented single crystals of Zr doped beta-NiAl was studied using transmission electron microscopy. The oxide phases and metal-oxide orientation relationships were determined to characterize the transient stages of oxidation prior to the transformation to or formation of alpha-Al2O3. On (001) and (012) metal orientations, NiAl2O4 was the first oxide to form followed by delta-Al2O3 which becomes the predominant oxide phase. All oxides were highly epitaxially related to the metal; the orientation relationships being function of parallel cation close-packed directions in the meta and oxide. On (011) and (111) metal orientations, gamma-Al2O3 became the predominant oxide phase rather than delta-Al2O3, indicating a structural stability from the highly epitaxial oxides. The relative concentration of aluminum in the oxide scales increased with time indicating preferential gamma-or delta-Al2O3 growth. The striking feature common to the orientation relationships is the alignment of 100 m and 110 ox directions, believed to result from the minimal 3 percent mismatch between the corresponding (100)m and (110)ox planes.

Cyclic stability of superelasticity in the aged [ {bar{1}}23 ]-oriented Ni49Fe18Ga27Co6 single crystals

NASA Astrophysics Data System (ADS)

Panchenko, E. Yu.; Chumlyakov, Yu. I.; Timofeeva, E. E.; Vetoshkina, N. G.; Maier, H.

2013-02-01

The results of investigation of the effect of precipitates of different sizes, from 5 to 300 nm, on the character of stress-induced martensitic transformations, the value of stress hysteresis and cyclic stability of superelasticity in Ni49Fe18Ga27Со6 (at.%) ferromagnetic single crystals oriented along the [ {bar{1}}23 ] axis are presented. It is shown that a martensitic transformation in single crystals of Ni49Fe18Ga27Со6 containing dispersed particles of the γ- and γ'-phases measuring up to 30 nm (ageing at 673 K for 1 and 4 hours) is characterized by storing considerable elastic energy. It is revealed that these single crystals exhibit higher cyclic stability of superelasticity and a narrower stress hysteresis compared to those in the initial state and aged at 823 K for 0.5 hour, the latter containing much larger (150-300 nm) particles.

Synthesis, crystal structure, and structural conversion of Ni molybdate hydrate NiMoO 4· nH 2O

NASA Astrophysics Data System (ADS)

Eda, Kazuo; Kato, Yasuyuki; Ohshiro, Yu; Sugitani, Takamitu; Whittingham, M. Stanley

2010-06-01

The synthesis and crystal structure of NiMoO 4· nH 2O were investigated. The hydrate crystallized in the triclinic system with space group P-1, Z=4 with unit cell parameters of a=6.7791(2) Å, b=6.8900(2) Å, c=9.2486(2) Å, α=76.681(2)°, β=83.960(2)°, γ=74.218(2)°. Its ideal chemical composition was NiMoO 4·3/4H 2O rather than NiMoO 4·1H 2O. Under hydrothermal conditions the hydrate turned directly into α-NiMoO 4 above 483 K, giving nanorods thinner than the crystallites of the mother hydrate. On the other hand, it turned into Anderson type of polyoxomolybdate via a solid-solution process in a molybdate solution at room temperature.

Growth and characterization of MnGa thin films with perpendicular magnetic anisotropy on BiSb topological insulator

NASA Astrophysics Data System (ADS)

Duy Khang, Nguyen Huynh; Ueda, Yugo; Yao, Kenichiro; Hai, Pham Nam

2017-10-01

We report on the crystal growth as well as the structural and magnetic properties of Bi0.8Sb0.2 topological insulator (TI)/MnxGa1-x bi-layers grown on GaAs(111)A substrates by molecular beam epitaxy. By optimizing the growth conditions and Mn composition, we were able to grow MnxGa1-x thin films on Bi0.8Sb0.2 with the crystallographic orientation of Bi0.8Sb0.2(001)[1 1 ¯ 0]//MnGa (001)[100]. Using magnetic circular dichroism (MCD) spectroscopy, we detected both the L10 phase ( x < 0.6 ) and the D022 phase ( x > 0.6 ) of MnxGa1-x. For 0.50 ≤ x ≤ 0.55 , we obtained ferromagnetic L10-MnGa thin films with clear perpendicular magnetic anisotropy, which were confirmed by MCD hysteresis, anomalous Hall effect as well as superconducting quantum interference device measurements. Our results show that the BiSb/MnxGa1-x bi-layer system is promising for perpendicular magnetization switching using the giant spin Hall effect in TIs.

Influence of surface roughness on the oxidation behavior of a Ni-4.0Cr-5.7Al single crystal superalloy

NASA Astrophysics Data System (ADS)

Pei, Haiqing; Wen, Zhixun; Li, Zhenwei; Zhang, Yamin; Yue, Zhufeng

2018-05-01

The high-temperature oxidation dynamics and mechanisms of a Ni-based single crystal superalloy with four kinds of surface roughnesses were investigated by virtue of XRD, OM, SEM and EDS at 1000 °C. In the initial oxidation stage, outer (Ni, Co)O was mainly produced on the surfaces of the samples with Ra = 90 nm and 19 nm. Correspondingly, outer Cr2O3 and transient θ-Al2O3 were mainly formed on the surfaces with Ra = 509 nm and 182 nm. After 180 min oxidation, the values of instantaneous parabolic mass gain coefficients (kp) of the samples with all surface roughnesses were gradually consistent with the data of the growth parabolic coefficient of α-Al2O3. The oxidation mechanisms of Ni-based superalloy with different surface roughnesses were discussed by a model. The external diffusion flux of Al (DAl) increases with the increases of surface roughness. Thus, the required Al concentration decreases with the increases of surface roughness when the selective oxidation of Al occurrs to form a protective single α-Al2O3 film.

The preparation of BP single crystals by high pressure flux method

NASA Technical Reports Server (NTRS)

Kumashiro, Y.; Misawa, S.; Gonda, S.

1984-01-01

Single crystals of BP, a III-V compound semiconductor, were obtained by the high pressure flux method. Cu3P and Ni12P5 powders were used as the flux, and mixed with BP powder. Two kinds of mixtures were prepared: (1) 1.8g (BP) + 35 G (Cu3P) and (2) 1.7 g (BP) + 25 g (Ni12P5). They were compressed into pellets, heated at 1300 C for 24 h in an induction furnace under a pressure of 1 MPa using Ar-P2 gas, and slowly cooled to room temperature. In case (1), BP single crystals grew along the (III) plane, and in case (2) they grew as an aggregate of crystallites. The cathodoluminescence spectra of the synthetic BP crystals showed peaks near 680 nm (1.82 eV) for case (1), and 500 nm (2.47 eV) for case (2). By using the high pressure flux method conventional sized crystals were obtained in a relatively short time.

A Successful Synthesis of the CoCrFeNiAl0.3 Single-Crystal, High-Entropy Alloy by Bridgman Solidification

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

Ma, S. G.; Zhang, S. F.; Gao, M. C.

2013-08-22

For the first time, a face-centered-cubic, single-crystal CoCrFeNiAl{sub 0.3} (designated as Al0.3), high-entropy alloy (HEA) was successfully synthesized by the Bridgman solidification (BS) method, at an extremely low withdrawal velocity through a constant temperature gradient, for which it underwent two BS steps. Specially, at the first BS step, the alloy sample underwent several morphological transitions accompanying the crystal growth from the melt. This microstructure evolves from as-cast dendrites, to equiaxed grains, and then to columnar crystals, and last to the single crystal. In particular, at the equiaxed-grain region, some visible annealing twins were observed, which indicates a low stacking faultmore » energy of the Al0.3 alloy. Although a body-centered- cubic CoCrFeNiAl (Al1) HEA was also prepared under the same conditions, only a single columnar-crystal structure with instinctively preferential crystallographic orientations was obtained by the same procedure. A similar morphological transition from dendrites to equiaxed grains occurred at the equiaxed-grain region in Al1 alloy, but the annealing twins were not observed probably because a higher Al addition leads to a higher stacking fault energy for this alloy.« less

Magnetic and superconducting phase diagrams of single-crystal Er0.8R0.2Ni2B2C (R=Tb,Lu) and ErNi1.9Co0.1B2C: Identification of pair-breaking mechanisms

NASA Astrophysics Data System (ADS)

Takeya, H.; El Massalami, M.

2004-01-01

We investigated the magnetism, superconductivity and their interplay in single crystals Er0.8R0.2Ni2B2C (R=Tb,Lu) and ErNi1.9Co0.1B2C. In contrast to Co substitution, R substitutions induce considerable modifications in the magnetism of Er sublattice: e.g., Tb (Lu) substitution enhances (reduces) TN and critical fields. Both R substitutions introduce size effects and pinning centers; the former modifies the magnon specific heat while the latter hinders the formation of a weak ferromagnetism. The superconductivity, on the other hand, is strongly (weakly) influenced by Tb and Co (Lu) substitution. Taking LuNi2B2C as a nonmagnetic superconducting limit, we analyzed their superconductivities, as well as that of ErNi2B2C, in terms of multiple pair breaking theory on dirty superconductors. Based on this analysis, many of their superconducting features can be explained: The breakdown of de Gennes scaling is due to the presence of multiple pair breakers, the anisotropy of Hc2(T) is related to the magnetic anisotropy, the absence of a structure in Hc2(T) at TN of Lu substitution (TN2(T) of Tb and Co substitutions is in part due to a saturation of antiferromagnetic correlations. For Lu substitution, the strength of magnon mediated pair breaking process(es) is substantially reduced.

Crystal growth and scintillation properties of Pr-doped SrI2 single crystals

NASA Astrophysics Data System (ADS)

Yokota, Yuui; Ito, Tomoki; Yoshino, Masao; Yamaji, Akihiro; Ohashi, Yuji; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

2018-04-01

Pr-doped SrI2 (Pr:SrI2) single crystals with various Pr concentrations were grown by the halide-micro-pulling-down (H-μ-PD) method, and the scintillation properties were investigated. Pr1%:SrI2 single crystal with high transparency could be grown by the H-μ-PD method while Pr2, 3 and 5%:SrI2 single crystals included some cracks and opaque parts. In the photoluminescence spectrum of the Pr1%:SrI2 single crystal, an emission peak originated from the Pr3+ ion was observed around 435 nm while the radioluminescence spectra showed an emission peak around 535 nm for the undoped SrI2 and Pr:SrI2 single crystals. Light yields of Pr1, 2, 3 and 5%:SrI2 single crystals under γ-ray irradiation were 7700, 8700, 7200 and 6700 photons/MeV, respectively. Decay times of Pr1 and 2%:SrI2 single crystals under γ-ray irradiation were 55.9 and 35.0 ns of the fast decay component, and 435 and 408 ns of the slow decay component, respectively.

The crystal structures of Ni{sub 3+x}Sn{sub 4}Zn and Ni{sub 6+x}Sn{sub 8}Zn and their structural relations to Ni{sub 3+x}Sn{sub 4}, NiSn and Ni{sub 5−δ}ZnSn{sub 4}

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

Schmetterer, Clemens, E-mail: clemens.schmetterer@univie.ac.at; Effenberger, Herta Silvia; Rajamohan, Divakar

2016-06-15

The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni{sub 3+x}Sn{sub 4}Zn, (x~1.35, a=7.110(2) Å, b=4.123(1) Å, c=10.346(3) Å, β=90.23(2)°, space group I2/m, Z=2. R1=0.025, wR2=0.059 for 748 unique reflections, 35 variable parameters) and Ni{sub 6+x}Sn{sub 8}Zn, x~1.35 (a=12.379(3) Å, b=4.095(1) Å, c=12.155(3) Å, β=116.25(3)°, space group C2/m, Z=2. R1=0.026, wR2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni{sub 3+x}Sn{sub 4}, x~0.13 (a=12.264(3) Å, b=4.066(1) Å, c=5.223(2) Å, β=104.85(3)°, space group C2/m, Z=2. R1=0.019, wR2=0.046 for 617 unique reflections, 29 variable parameters). The three compounds show pronouncedmore » similarities among each other as well as to the crystal structures of surrounding binary Ni–Sn and ternary Ni–Sn–Zn compounds. In particular, the two new compounds form a homologous series with Ni{sub 3+x}Sn{sub 4}, x~0.13. They contain “Ni{sub 4}Sn{sub 4}” and “Ni{sub 2}Sn{sub 4}” building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni{sub 5−δ}Sn{sub 4}Zn, δ~0.25 are evident. - Graphical abstract: Projection of the structure of Ni{sub 6+x}ZnSn{sub 8}, x~1.35 and constituent building blocks. Display Omitted - Highlights: • The crystal structures of Ni{sub 6+x}Sn{sub 8}Zn and Ni{sub 3+x}Sn{sub 4}Zn were determined using single crystal XRD. • Topological relations to Ni–Sn and Ni–Sn–Zn compounds were established and discussed. • Common structural units were identified and their interconnection patterns described.« less

Surface structures of L10-MnGa (001) by scanning tunneling microscopy and first-principles theory

NASA Astrophysics Data System (ADS)

Corbett, J. P.; Guerrero-Sanchez, J.; Richard, A. L.; Ingram, D. C.; Takeuchi, N.; Smith, A. R.

2017-11-01

We report on the surface reconstructions of L10-ordered MnGa (001) thin films grown by molecular beam epitaxy on a 50 nm Mn3N2 (001) layer freshly grown on a magnesium oxide (001) substrate. Scanning tunneling microscopy, Auger electron spectroscopy, and reflection high energy electron diffraction are combined with first-principles density functional theory calculations to determine the reconstructions of the L10-ordered MnGa (001) surface. We find two lowest energy reconstructions of the MnGa (001) face: a 1 × 1 Ga-terminated structure and a 1 × 2 structure with a Mn replacing a Ga in the 1 × 1 Ga-terminated surface. The 1 × 2 reconstruction forms a row structure along [100]. The manganese:gallium stoichiometry within the surface based on theoretical modeling is in good agreement with experiment. Magnetic moment calculations for the two lowest energy structures reveal important surface and bulk effects leading to oscillatory total magnetization for ultra-thin MnGa (001) films.

Microstructure and Phase Stability of Single Crystal NiAl Alloyed with Hf and Zr

NASA Technical Reports Server (NTRS)

Locci, I. E.; Dickerson, R. M.; Garg, A.; Noebe, R. D.; Whittenberger, J. D.; Nathal, M. V.; Darolia, R.

1996-01-01

Six near stoichiometric, NiAl single-crystal alloys, with 0.05-1.5 at.% of Hf and Zr additions plus Si impurities, were microstructurally analyzed in the as-cast, homogenized, and aged conditions. Hafnium-rich interdendritic regions, containing the Heusler phase (Ni2AlHf), were found in all the as-cast alloys containing Hf. Homogenization heat treatments partially reduced these interdendritic segregated regions. Transmission electron microscopy (TEM) observations of the as-cast and homogenized microstructures revealed the presence of a high density of fine Hf (or Zr) and Si-rich precipitates. These were identified as G-phase, Nil6X6Si7, or as an orthorhombic NiXSi phase, where X is Hf or Zr. Under these conditions the expected Heusler phase (beta') was almost completely absent. The Si responsible for the formation of the G and NiHfSi phases is the result of molten metal reacting with the Si-containing crucible used during the casting process. Varying the cooling rates after homogenization resulted in the refinement or complete suppression of the G and NiHfSi phases. In some of the alloys studied, long-term aging heat treatments resulted in the formation of Heusler precipitates, which were more stable at the aging temperature and coarsened at the expense of the G-phase. In other alloys, long-term aging resulted in the formation of the NiXSi phase. The stability of the Heusler or NiXSi phases can be traced to the reactive element (Hf or Zr) to silicon ratio. If the ratio is high, then the Heusler phase appears stable after long time aging. If the ratio is low, then the NiHfSi phase appears to be the stable phase.

Synthesis, crystal structure, and magnetic properties of two-dimensional divalent metal glutarate/dipyridylamine coordination polymers, with a single crystal-to-single crystal transformation in the copper derivative

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

Montney, Matthew R.; Supkowski, Ronald M.; Staples, Richard J.

Hydrothermal reaction of divalent metal chlorides with glutaric acid and 4,4'-dipyridylamine (dpa) has afforded an isostructural family of coordination polymers with formulation [M(glu)(dpa)]{sub n} (M=Co (1), Ni (2), Cu (3); glu=glutarate). Square pyramidal coordination is seen in 1-3, with semi-ligation of a sixth donor to produce a '5+1' extended coordination sphere. Neighboring metal atoms are linked into 1D [M(glu)]{sub n} neutral chains through chelating/monodentate bridging glutarate moieties with a syn-anti binding mode, and semi-chelation of the pendant carboxylate oxygen. These chains further connect into 2D layers through dipodal dpa ligands. Neighboring layers stack into the pseudo 3D crystal structure ofmore » 1-3 through supramolecular hydrogen bonding between dpa amine units and the semi-chelated glutarate oxygen atoms. The variable temperature magnetic behavior of 1-3 was explored and modeled as infinite 1D Heisenberg chains. Notably, complex 3 undergoes a thermally induced single crystal-to-single crystal transformation between centric and acentric space groups, with a conformationally disordered unilayer structure at 293 K and an ordered bilayer structure at 173 K. All materials were further characterized via infrared spectroscopy and elemental and thermogravimetric analyses. - Graphical abstract: The coordination polymers [M(glu)(dpa)]{sub n} (M=Co (1), Ni (2), Cu (3); glu=glutarate, dpa=4,4'-dipyridylamine) exhibit 2D layer structures based on 1D [M(glu)]{sub n} chains linked through dpa tethers. Antiferromagnetic coupling is observed for 2 and 3, while ferromagnetism is predominant in 1. Compound 3 undergoes a thermally induced single crystal-to-single crystal transformation from an acentric to a centrosymmetric space group.« less

Synthesis, crystal structure and thermal study of the hybrid nickel sulfate: C6N2H16[Ni(H2O)6(SO4)2].2H2O

NASA Astrophysics Data System (ADS)

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

2018-03-01

A new inorganic-organic hybrid open framework nickel sulfate C6N2H16[Ni(H2O)6(SO4)2].2H2O has been synthesized by slow evaporation in aqueous solution using trans-1,4-diaminocyclohexane as structure-directing agent. It was characterized by single-crystal X-ray diffraction, infrared spectroscopy and analyzed by TGA-DSC. The compound crystallizes in the monoclinic space group P21/n, with the unit cell parameters of a = 6.2586 Å, b = 12.3009 Å, c = 13.2451 Å, β = 98,047°, Z = 4. Its crystal structure consists of isolated polyhedrons [Ni(H2O)6]2+ and [SO4]2- and free water which connects through hydrogen bonds. This association results in the porous framework where the protonated organic molecule trans-1,4-diaminocyclohexane is located as a counter ion. The IR spectra Shows the bands corresponding to the sulfate anion, water molecule and diprotonated trans-1-4-diaminocyclohexane. Thermal study indicates the loss of water molecules and the degradation of trans-1-4-diaminocyclohexane.

Experimental and numerical analysis of penetration/removal response of endodontic instrument made of single crystal Cu-based SMA: comparison with NiTi SMA instruments

NASA Astrophysics Data System (ADS)

Vincent, M.; Xolin, P.; Gevrey, A.-M.; Thiebaud, F.; Engels-Deutsch, M.; Ben Zineb, T.

2017-04-01

This paper presents an experimental and numerical study showing that single crystal shape memory alloy (SMA) Cu-based endodontic instruments can lead to equivalent mechanical performances compared to NiTi-based instruments besides their interesting biological properties. Following a previous finite element analysis (FEA) of single crystal CuAlBe endodontic instruments (Vincent et al 2015 J. Mater. Eng. Perform. 24 4128-39), prototypes with the determined geometrical parameters were machined and experimentally characterized in continuous rotation during a penetration/removal (P/R) protocol in artificial canals. The obtained mechanical responses were compared to responses of NiTi endodontic files in the same conditions. In addition, FEA was conducted and compared with the experimental results to validate the adopted modeling and to evaluate the local quantities inside the instrument as the stress state and the distribution of volume fraction of martensite. The obtained results highlight that single crystal CuAlBe SMA prototypes show equivalent mechanical responses to its NiTi homologous prototypes in the same P/R experimental conditions.

Lattice constant changes leading to significant changes of the spin-gapless features and physical nature in a inverse Heusler compound Zr2MnGa

NASA Astrophysics Data System (ADS)

Wang, Xiaotian; Cheng, Zhenxiang; Khenata, Rabah; Wu, Yang; Wang, Liying; Liu, Guodong

2017-12-01

The spin-gapless semiconductors with parabolic energy dispersions [1-3] have been recently proposed as a new class of materials for potential applications in spintronic devices. In this work, according to the Slater-Pauling rule, we report the fully-compensated ferrimagnetic (FCF) behavior and spin-gapless semiconducting (SGS) properties for a new inverse Heusler compound Zr2MnGa by means of the plane-wave pseudo-potential method based on density functional theory. With the help of GGA-PBE, the electronic structures and the magnetism of Zr2MnGa compound at its equilibrium and strained lattice constants are systematically studied. The calculated results show that the Zr2MnGa is a new SGS at its equilibrium lattice constant: there is an energy gap between the conduction and valence bands for both the majority and minority electrons, while there is no gap between the majority electrons in the valence band and the minority electrons in the conduction band. Remarkably, not only a diverse physical nature transition, but also different types of spin-gapless features can be observed with the change of the lattice constants. Our calculated results of Zr2MnGa compound indicate that this material has great application potential in spintronic devices.

Electron microscopy study of Ni induced crystallization in amorphous Si thin films

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

Radnóczi, G. Z.; Battistig, G.; Pécz, B., E-mail: pecz.bela@ttk.mta.hu

2015-02-17

The crystallization of amorphous silicon is studied by transmission electron microscopy. The effect of Ni on the crystallization is studied in a wide temperature range heating thinned samples in-situ inside the microscope. Two cases of limited Ni source and unlimited Ni source are studied and compared. NiSi{sub 2} phase started to form at a temperature as low as 250°C in the limited Ni source case. In-situ observation gives a clear view on the crystallization of silicon through small NiSi{sub 2} grain formation. The same phase is observed at the crystallization front in the unlimited Ni source case, where a secondmore » region is also observed with large grains of Ni{sub 3}Si{sub 2}. Low temperature experiments show, that long annealing of amorphous silicon at 410 °C already results in large crystallized Si regions due to the Ni induced crystallization.« less

Observations of Glide and Decomposition of a<101> Dislocations at High Temperatures in Ni-Al Single Crystals Deformed along the Hard Orientation

NASA Technical Reports Server (NTRS)

Srinivasan, R.; Daw, M. S.; Noebe, R. D.; Mills, M. J.

2003-01-01

Ni-44at.% Al and Ni-50at.% single crystals were tested in compression in the hard (001) orientations. The dislocation processes and deformation behavior were studied as a function of temperature, strain and strain rate. A slip transition in NiAl occurs from alpha(111) slip to non-alphaaaaaaaaaaa9111) slip at intermediate temperatures. In Ni-50at.% Al single crystal, only alpha(010) dislocations are observed above the slip transition temperature. In contrast, alpha(101)(101) glide has been observed to control deformation beyond the slip transition temperature in Ni-44at.%Al. alpha(101) dislocations are observed primarily along both (111) directions in the glide plane. High-resolution transmission electron microscopy observations show that the core of the alpha(101) dislocations along these directions is decomposed into two alpha(010) dislocations, separated by a distance of approximately 2nm. The temperature window of stability for these alpha(101) dislocations depends upon the strain rate. At a strain rate of 1.4 x 10(exp -4)/s, lpha(101) dislocations are observed between 800 and 1000K. Complete decomposition of a alpha(101) dislocations into alpha(010) dislocations occurs beyond 1000K, leading to alpha(010) climb as the deformation mode at higher temperature. At lower strain rates, decomposition of a alpha(101) dislocations has been observed to occur along the edge orientation at temperatures below 1000K. Embedded-atom method calculations and experimental results indicate that alpha(101) dislocation have a large Peieris stress at low temperature. Based on the present microstructural observations and a survey of the literature with respect to vacancy content and diffusion in NiAl, a model is proposed for alpha(101)(101) glide in Ni-44at.%Al, and for the observed yield strength versus temperature behavior of Ni-Al alloys at intermediate and high temperatures.

Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

NASA Astrophysics Data System (ADS)

Li, Nan-Lin; Wu, Wen-Ping; Nie, Kai

2018-05-01

The evolution of misfit dislocation network at γ /γ‧ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the γ‧ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension-compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.

Twin-variant reorientation strain in Ni-Mn-Ga single crystal during quasi-static mechanical compression

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

Pramanick, Abhijit; An, Ke; Stoica, Alexandru Dan

2011-01-01

Twin variant reorientation in single crystal Ni-Mn-Ga during quasi-static mechanical compression was studied using in-situ neutron diffraction. The volume fraction of reoriented twin variants for different stress amplitudes were obtained from the changes in integrated intensities of high-order neutron diffraction peaks. It is shown that during compressive loading, ~85% of the twins were reoriented parallel to the loading direction resulting in a maximum macroscopic strain of ~5.5%, which is in agreement with measured macroscopic strain.

One-pot synthesis of CoNiO2 single-crystalline nanoparticles as high-performance electrode materials of asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Du, Weimin; Gao, Yanping; Tian, Qingqing; Li, Dan; Zhang, Zhenhu; Guo, Jiaojiao; Qian, Xuefeng

2015-09-01

A facile one-pot solvothermal method has been developed to synthesize CoNiO2 single-crystalline nanoparticles. Crystal phase, morphology, crystal lattice, and composition of the obtained products were characterized by X-ray diffraction, scanning electron microscope, high-resolution transmission electron microscopy, and energy-dispersive X-ray analysis, respectively. Results revealed that the as-synthesized CoNiO2 nanoparticles belong to cubic structure with narrow size-distribution (8-10 nm). Subsequently, new asymmetric supercapacitors were successfully assembled with CoNiO2 nanoparticles as positive electrode and activated carbon as negative electrode. The electrochemical results show that asymmetric supercapacitors based on CoNiO2 nanoparticles possess excellent supercapacitor properties, i.e., a stable electrochemical window of 0-1.7 V, higher energy density of 24.0 Wh/kg at a power density of 415.4 W/kg, and excellent cycling stability (96.8 % capacitance retention after 5000 charge-discharge cycles). Meanwhile, both a light-emitting diode and a mini fan can be powered by two series connection asymmetric supercapacitors. These results imply that the present asymmetric supercapacitors based on CoNiO2 nanoparticles possess the promising potential application in the field of high-performance energy storage.

Optical characterization of single-crystal diamond grown by DC arc plasma jet CVD

NASA Astrophysics Data System (ADS)

Hei, Li-fu; Zhao, Yun; Wei, Jun-jun; Liu, Jin-long; Li, Cheng-ming; Lü, Fan-xiu

2017-12-01

Optical centers of single-crystal diamond grown by DC arc plasma jet chemical vapor deposition (CVD) were examined using a low-temperature photoluminescence (PL) technique. The results show that most of the nitrogen-vacancy (NV) complexes are present as NV- centers, although some H2 and H3 centers and B-aggregates are also present in the single-crystal diamond because of nitrogen aggregation resulting from high N2 incorporation and the high mobility of vacancies under growth temperatures of 950-1000°C. Furthermore, emissions of radiation-induced defects were also detected at 389, 467.5, 550, and 588.6 nm in the PL spectra. The reason for the formation of these radiation-induced defects is not clear. Although a Ni-based alloy was used during the diamond growth, Ni-related emissions were not detected in the PL spectra. In addition, the silicon-vacancy (Si-V)-related emission line at 737 nm, which has been observed in the spectra of many previously reported microwave plasma chemical vapor deposition (MPCVD) synthetic diamonds, was absent in the PL spectra of the single-crystal diamond prepared in this work. The high density of NV- centers, along with the absence of Ni-related defects and Si-V centers, makes the single-crystal diamond grown by DC arc plasma jet CVD a promising material for applications in quantum computing.

Magnetic susceptibility and heat-capacity studies of NiS2-xSex single crystals: A study of transitions at nonzero temperature

NASA Astrophysics Data System (ADS)

Yao, X.; Kuo, Y.-K.; Powell, D. K.; Brill, J. W.; Honig, J. M.

1997-09-01

Heat-capacity and magnetic-susceptibility studies have been carried out on NiS2-xSex single crystals for 0.38<=x<=0.58 and 0<=x<=0.71, respectively. These and earlier physical measurements document the gradual evolution, with rising x, of the alloys from good insulators to poor metals at low temperatures. The transitions between various magnetically ordered or disordered phases are marked by anomalies in these physical measurements. The trend of magnetic susceptibility with temperature indicates that alloys near the crossover to the highly correlated metallic state exhibit increasing charge-carrier localization with rising temperature; this is ascribed to the dominance of entropic contributions to the free energy. It is stressed that these variations in properties are achieved by isoelectronic substitutions in the anion sublattice that leave the cation sublattice undisturbed.

1000 to 1200 K time-dependent compressive deformation of single-crystalline and polycrystalline B2 Ni-40Al

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.; Noebe, R. D.; Kumar, K. S.; Mannan, S. K.; Cullers, C. L.

1991-01-01

The 1000-K and 1200-K time-dependent deformation of 100-line-oriented and non-100-line-oriented single crystals of Ni-40Al (made by a modified Bridgman technique) was examined over a large range of strain rates (from 0.1 to 10 to the -7th per sec). The results were compared with those for polycrystalline Ni-40Al made by hot pressing XD synthesized powder. The results from measurements of slow-plastic-strain-rate properties of the two materials show that single crystals offer no strength advantage over polycrystalline material. Both forms were found to deform via a dislocation climb mechanism.

Crystal Structures and Thermal Properties of Two Transition-Metal Compounds {[Ni(DNI)2(H2O)3][Ni(DNI)2 (H2O)4]}·6H2O and Pb(DNI)2(H2O)4 (DNI = 2,4-Dinitroimidazolate)

PubMed Central

Zhang, Guo-Fang; Cai, Mei-Yu; Jing, Ping; He, Chong; Li, Ping; Zhao, Feng-Qi; Li, Ji-Zhen; Fan, Xue-Zhong; Ng, Seik Weng

2010-01-01

Two transition-metal compounds derived from 2,4-dinitroimidazole, {[Ni(DNI)2(H2O)3][Ni(DNI)2 (H2O)4]}·6H2O, 1, and Pb(DNI)2(H2O)4, 2, were characterized by elemental analysis, FT-IR, TG-DSC and X-ray single-crystal diffraction analysis. Crystal data for 1: monoclinic, space group C2/c, a = 26.826(3), b = 7.7199(10), c = 18.579(2) Å, β = 111.241(2)° and Z = 4; 2: monoclinic, space group C2/c, a = 6.5347(6), b = 17.1727(17), c = 14.1011(14) Å, β = 97.7248(10) and Z = 4. Compound 1 contains two isolated nickel centers in its structure, one being six-coordinate and another five-coordinate. The structure of 2 contains a lead (II) center surrounded by two chelating DNI ligands and four water molecules in distorted square-antiprism geometry. The abundant hydrogen bonds in two compounds link the molecules into three-dimensional network and stabilize the molecules. The TG-DSC analysis reveals that the first step is the loss of water molecules and the final residue is the corresponding metal oxides and carbon. PMID:20526419

Perpendicularly magnetized (001)-textured D0{sub 22} MnGa films grown on an (Mg{sub 0.2}Ti{sub 0.8})O buffer with thermally oxidized Si substrates

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

Lee, Hwachol; Sukegawa, Hiroaki, E-mail: sukegawa.hiroaki@nims.go.jp; Liu, Jun

2015-10-28

We report the growth of (001)-textured polycrystalline D0{sub 22} MnGa films with perpendicular magnetic anisotropy (PMA) on thermally oxidized Si substrates using an (Mg{sub 0.2}Ti{sub 0.8})O (MTO) buffer layer. The ordered D0{sub 22} MnGa film grown at the optimum substrate temperature of 530 °C on the MTO buffer layer shows PMA with magnetization of 80 kA/m, PMA energy density of 0.28 MJ/m{sup 3}, and coercivity of 2.3 T. The scanning transmission electron microscope analysis confirms the formation of a highly (001)-textured structure and the elementally sharp interfaces between the MTO layer and the MnGa layer. The achieved D0{sub 22} MnGa PMA films on anmore » amorphous substrate will provide the possible pathway of integration of a Mn-based PMA film into Si-based substrates.« less

Investigations on the electronic transport and piezoresistivity properties of Ni{sub 2−X}Mn{sub 1+X}Ga (X = 0 and 0.15) Heusler alloys under hydrostatic pressure

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

Devarajan, U.; Kalai Selvan, G.; Sivaprakash, P.

2014-12-22

The resisitivity of Ni{sub 2−X}Mn{sub 1+X}Ga (X = 0 and 0.15) magnetic shape memory alloys has been investigated as a function of temperature (4–300 K) and hydrostatic pressure up to 30 kilobars. The resistivity is suppressed (X = 0) and enhanced (X = 0.15) with increasing pressure. A change in piezoresistivity with respect to pressure and temperature is observed. The negative and positive piezoresistivity increases with pressure for both the alloys. The residual resistivity and electron-electron scattering factor as a function of pressure reveal that for Ni{sub 2}MnGa the electron-electron scattering is predominant, while the X = 0.15 specimen is dominated by the electron-magnon scattering. The value of electron-electronmore » scattering factor is positive for both the samples, and it is decreasing (negative trend) for Ni{sub 2}MnGa and increasing (positive trend) for X = 0.15 with pressure. The martensite transition temperature is found to be increased with the application of external pressure for both samples.« less

A Novel Dimeric Ni-Substituted beta-Keggin Silicotungstate: Structure and Magnetic Properties of K(12)[{beta-SiNi(2)W(10)O(36)(OH)(2)(H(2)O)}(2)].20H(2)O.

PubMed

Kortz, Ulrich; Jeannin, Yves P.; Tézé, André; Hervé, Gilbert; Isber, Samih

1999-08-09

The novel dimeric polyoxometalate [{beta-SiNi(2)W(10)O(36)(OH)(2)(H(2)O)}(2)](12)(-) (1) has been synthesized and characterized by IR spectroscopy, polarography, elemental analysis, thermogravimetric analysis, and magnetic measurements. An X-ray single-crystal analysis was carried out on K(12)[{beta-SiNi(2)W(10)O(36)(OH)(2)(H(2)O)}(2)].20H(2)O, which crystallizes in the monoclinic system, space group P2(1)/n, with a = 13.701(4) Å, b = 24.448(11) Å, c = 13.995(5) Å, beta = 99.62(3) degrees, and Z = 4. The anion consists of two [beta-SiNi(2)W(10)O(36)(OH)(2)(H(2)O)] Keggin moieties linked via two OH bridging groups, leading to a planar Ni(2)(OH)(2) unit. The two half-units are related by an inversion center and each contain one Ni atom in the rotated triad. The formation of the new anion involves insertion, isomerization, and dimerization. Magnetic measurements show that the central Ni(4) unit exhibits ferromagnetic (J' = 4.14 cm(-)(1)) as well as weak antiferromagnetic (J = -0.65 cm(-)(1)) Ni-Ni exchange interactions.

Amino acid based MOFs: synthesis, structure, single crystal to single crystal transformation, magnetic and related studies in a family of cobalt and nickel aminoisophthales.

PubMed

Sarma, Debajit; Ramanujachary, K V; Lofland, S E; Magdaleno, Travis; Natarajan, Srinivasan

2009-12-21

Four new 5-aminoisophthalates of cobalt and nickel have been prepared employing hydro/solvothermal methods: [Co(2)(C(8)H(5)NO(4))(2)(C(4)H(4)N(2))(H(2)O)(2)].3H(2)O (I), [Ni(2)(C(8)H(5)NO(4))(2)(C(4)H(4)N(2))(H(2)O)(2)].3H(2)O (II), [Co(2)(H(2)O)(mu(3)-OH)(2)(C(8)H(5)NO(4))] (III), and [Ni(2)(H(2)O)(mu(3)-OH)(2)(C(8)H(5)NO(4))] (IV). Compounds I and II are isostructural, having anion-deficient CdCl(2) related layers bridged by a pyrazine ligand, giving rise to a bilayer arrangement. Compounds III and IV have one-dimensional M-O(H)-M chains connected by the 5-aminoisophthalate units forming a three-dimensional structure. The coordinated as well as the lattice water molecules of I and II could be removed and inserted by simple heating-cooling cycles under the atmospheric conditions. The removal of the coordinated water molecule is accompanied by changes in the coordination environment around the M(2+) (M = Co, Ni) and color of the samples (purple to blue, Co; green to dark yellow, Ni). This change has been examined by a variety of techniques that include in situ single crystal to single crystal transformation studies and in situ IR and UV-vis spectroscopic studies. Magnetic studies indicate antiferromagnetic behavior in I and II, a field-induced magnetism in III, and a canted antiferromagnetic behavior in IV.

Perpendicular magnetic tunnel junctions with Mn-modified ultrathin MnGa layer

NASA Astrophysics Data System (ADS)

Suzuki, K. Z.; Miura, Y.; Ranjbar, R.; Bainsla, L.; Ono, A.; Sasaki, Y.; Mizukami, S.

2018-02-01

Perpendicular magnetic tunnel junctions (p-MTJs) with a MgO barrier and a 1-nm-thick MnGa electrode were investigated by inserting several monolayers (MLs) of Mn. The tunnel magnetoresistance (TMR) ratio systematically increased when increasing the Mn layer thickness with a maximum of 18 (38.4)% at 300 (5) K for a Mn layer thickness of 0.6-0.8 nm. This ratio is five times higher compared to that without the Mn layer. The perpendicular magnetic anisotropy (PMA) field and the PMA constant of the ultrathin MnGa layer also increased up to 62-90 kOe and 6.2-11.3 Merg/cm3, respectively, with an increase in the Mn interlayer thickness, even for the ultrathin regime of the MnGa layer. For p-MTJs showing a high TMR and PMA, electron microscopy indicated the presence of 3-4 MLs of Mn at the MnGa/MgO interface; thus, the Mn modification enhanced the TMR as well as improved the PMA. This may be a promising finding to develop a Mn-based free layer for spin-transfer-torque devices for high-recording-density magnetoresistive random access memory and a sub-THz oscillator/detector.

Single crystal plastic behavior of a single-phase, face-center-cubic-structured, equiatomic FeNiCrCo alloy

DOE PAGES

Wu, Zhenggang; Gao, Y. F.; Bei, Hongbin

2015-07-25

To understand the fundamental deformation mechanisms of compositionally complex alloys, single crystals of a multi-component equiatomic FeNiCoCr alloy with face-centered cubic (FCC) structure were grown for mechanical studies. Similarly to typical FCC pure metals, slip trace analyses indicate that dislocation slips take place on (1 1 1) planes along [11¯0] directions. The critical resolved shear stress (CRSS) obeys the Schmid law at both 77 and 293 K, and tension–compression asymmetry is not observed. Although this material slips in a normal FCC manner both at 293 and 77 K, compared to typical FCC metals the CRSS’s strong temperature dependence is abnormal.

Crystal growth, structure analysis and characterisation of 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid single crystal

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

Sankari, R. Siva, E-mail: sivasankari.sh@act.edu.in; Perumal, Rajesh Narayana

2014-04-24

Single crystal of dielectric material 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid has been grown by slow evaporation solution growth method. The grown crystal was harvested in 25 days. The crystal structure was analyzed by Single crystal X - ray diffraction. UV-vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the dielectric constant was calculated and plotted at all frequencies.

One-Pot Solvothermal in Situ Growth of 1D Single-Crystalline NiSe on Ni Foil as Efficient and Stable Transparent Conductive Oxide Free Counter Electrodes for Dye-Sensitized Solar Cells.

PubMed

Bao, Chao; Li, Faxin; Wang, Jiali; Sun, Panpan; Huang, Niu; Sun, Yihua; Fang, Liang; Wang, Lei; Sun, Xiaohua

2016-12-07

One-dimensional single-crystal nanostructural nickel selenides were successfully in situ grown on metal nickel foils by two simple one-step solvothermal methods, which formed NiSe/Ni counter electrodes (CEs) for dye-sensitized solar cells (DSSCs). The nickel foil acted as the nickel source in the reaction process, a supporting substrate, and an electron transport "speedway". Electrochemical testing indicated that the top 1D single-crystal NiSe exhibited prominent electrocatalytic activity for I 3 - reduction. Due to the metallic conductivity of Ni substrate and the outstanding electrocatalytic activity of single-crystal NiSe, the DSSC based on a NiSe/Ni CE exhibited higher fill factor (FF) and larger short-circuit current density (J sc ) than the DSSC based on Pt/FTO CE. The corresponding power conversion efficiency (6.75%) outperformed that of the latter (6.18%). Moreover, the NiSe/Ni CEs also showed excellent electrochemical stability in the I - /I 3 - redox electrolyte. These findings indicated that single-crystal NiSe in situ grown on Ni substrate was a potential candidate to replace Pt/TCO as a cheap and highly efficient counter electrode of DSSC.

First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path

NASA Astrophysics Data System (ADS)

Zelený, M.; Sozinov, A.; Straka, L.; Björkman, T.; Nieminen, R. M.

2014-05-01

The influence of Co and Cu doping on Ni-Mn-Ga Heusler alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. Single-element doping and simultaneous doping by both elements are investigated in Ni50-xCoxMn25-yGa25-zCuy+z alloys, with dopant concentrations x ,y, and z up to 7.5 at. %. Doping with Co in the Ni sublattice decreases the (c/a)NM ratio of the nonmodulated (NM) martensite, but it simultaneously increases the cubic phase stability with respect to the NM phase. Doping with Cu in the Mn or in Ga sublattices does not change the (c/a)NM ratio significantly and it decreases the cubic phase stability. For simultaneous doping by Co in the Ni sublattice and Cu in the Mn or Ga sublattices, the effects of the individual dopants are independent and about the same as for the single-element doping. Thus, the (c/a)NM ratio can be adjusted by Co doping while the phase stability can be balanced by Cu doping, resulting in stable martensite with a reduced (c/a)NM. The local stability of the cubic phase with respect to the tetragonal deformation can be understood on the basis of a density-of-states analysis.

A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

NASA Astrophysics Data System (ADS)

Hoheisel, Tobias N.; Schrettl, Stephen; Marty, Roman; Todorova, Tanya K.; Corminboeuf, Clémence; Sienkiewicz, Andrzej; Scopelliti, Rosario; Schweizer, W. Bernd; Frauenrath, Holger

2013-04-01

Packing constraints and precise placement of functional groups are the reason that organic molecules in the crystalline state often display unusual physical or chemical properties not observed in solution. Here we report a single-crystal-to-single-crystal dimerization of a bromodiacetylene that involves unusually large atom displacements as well as the cleavage and formation of several bonds. Density functional theory computations support a mechanism in which the dimerization is initiated by a [2 + 1] photocycloaddition favoured by the nature of carbon-carbon short contacts in the crystal structure. The reaction proceeded up to the theoretical degree of conversion without loss of crystallinity, and it was also performed on a preparative scale with good yield. Moreover, it represents the first synthetic pathway to (E)-1,2-dibromo-1,2-diethynylethenes, which could serve as synthetic intermediates for the preparation of molecular carbon scaffolds. Our findings both extend the scope of single-crystal-to-single-crystal reactions and highlight their potential as a synthetic tool for complex transformations.

An unexpected Schiff base-type Ni(II) complex: Synthesis, crystal structures, fluorescence, electrochemical property and SOD-like activities

NASA Astrophysics Data System (ADS)

Chai, Lan-Qin; Zhang, Hong-Song; Huang, Jiao-Jiao; Zhang, Yu-Li

2015-02-01

An unexpected Schiff base-type Ni(II) complex, [Ni(L2)2]ṡCH3OH (HL2 = 1-(2-{[(E)-3, 5-dibromo-2-hydroxybenzylidene]amino}phenyl)ethanone oxime), has been synthesized via complexation of Ni(II) acetate tetrahydrate with HL1 (2-(3,5-dibromo-2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide) originally. HL1 and its corresponding Ni(II) complex were characterized by IR, 1H NMR spectra, as well as by elemental analysis, UV-Vis and emission spectroscopy, respectively. Crystal structures of the ligand and complex have been determined by single-crystal X-ray diffraction. Each complex links two other molecules into an infinite 1-D chain via intermolecular hydrogen bonding interactions. Moreover, the electrochemical property of the nickle complex was studied by cyclic voltammetry. In addition, SOD-like activities of HL1 and Ni(II) complex were also investigated.

Growth and surface topography of WSe{sub 2} single crystal

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

Dixit, Vijay, E-mail: vijdix1@gmail.com; Vyas, Chirag; Pataniya, Pratik

2016-05-06

Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe{sub 2} were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe{sub 2} crystals. Single crystalline nature of the crystals was confirmed by SAED.

Crystallization and preliminary X-ray analysis of the NAD+-reducing [NiFe] hydrogenase from Hydrogenophilus thermoluteolus TH-1

PubMed Central

Taketa, Midori; Nakagawa, Hanae; Habukawa, Mao; Osuka, Hisao; Kihira, Kiyohito; Komori, Hirofumi; Shibata, Naoki; Ishii, Masaharu; Igarashi, Yasuo; Nishihara, Hirofumi; Yoon, Ki-Seok; Ogo, Seiji; Shomura, Yasuhito; Higuchi, Yoshiki

2015-01-01

NAD+-reducing [NiFe] hydrogenases catalyze the oxidoreduction of dihydrogen concomitant with the interconversion of NAD+ and NADH. Here, the isolation, purification and crystallization of the NAD+-reducing [NiFe] hydrogenase from Hydrogenophilus thermoluteolus TH-1 are reported. Crystals of the NAD+-reducing [NiFe] hydrogenase were obtained within one week from a solution containing polyethylene glycol using the sitting-drop vapour-diffusion method and micro-seeding. The crystal diffracted to 2.58 Å resolution and belonged to space group C2, with unit-cell parameters a = 131.43, b = 189.71, c = 124.59 Å, β = 109.42°. Assuming the presence of two NAD+-reducing [NiFe] hydrogenase molecules in the asymmetric unit, V M was calculated to be 2.2 Å3  Da−1, which corresponds to a solvent content of 43%. Initial phases were determined by the single-wavelength anomalous dispersion method using the anomalous signal from the Fe atoms. PMID:25615977

Single-crystalline δ-Ni2Si nanowires with excellent physical properties

PubMed Central

2013-01-01

In this article, we report the synthesis of single-crystalline nickel silicide nanowires (NWs) via chemical vapor deposition method using NiCl2·6H2O as a single-source precursor. Various morphologies of δ-Ni2Si NWs were successfully acquired by controlling the growth conditions. The growth mechanism of the δ-Ni2Si NWs was thoroughly discussed and identified with microscopy studies. Field emission measurements show a low turn-on field (4.12 V/μm), and magnetic property measurements show a classic ferromagnetic characteristic, which demonstrates promising potential applications for field emitters, magnetic storage, and biological cell separation. PMID:23782805

Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

NASA Astrophysics Data System (ADS)

Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

2011-03-01

Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

In situ neutron diffraction study of twin reorientation and pseudoplastic strain in Ni-Mn-Ga single crystals

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

Stoica, Alexandru Dan

2011-01-01

Twin variant reorientation in single-crystal Ni-Mn-Ga during quasi-static mechanical compression was studied using in situ neutron diffraction. The volume fraction of reoriented twin variants for different stress amplitudes were obtained from the changes in integrated intensities of high-order neutron diffraction peaks. It is shown that, during compressive loading, {approx}85% of the twins were reoriented parallel to the loading direction resulting in a maximum pseudoplasticstrain of {approx}5.5%, which is in agreement with measured macroscopic strain.

Structural and Electromagnetic Properties of Ni-Mn-Ga Thin Films Deposited on Si Substrates

NASA Astrophysics Data System (ADS)

Pereira, M. J.; Lourenço, A. A. C. S.; Amaral, V. S.

2014-07-01

Ni2MnGa thin films raise great interest due to their properties, which provide them with strong potential for technological applications. Ni2MnGa thin films were prepared by r.f. sputtering deposition on Si substrates at low temperature (400 ºC). Film thicknesses in the range 10-120 nm were obtained. A study of the structural, magnetic and electrical properties of the films is presented. We find that the deposited films show some degree of crystallinity, with coexisting cubic and tetragonal structural phases, the first one being preponderant over the latter, particularly in the thinner films. The films possess soft magnetic properties and their coercivity is thickness dependent in the range 15-200 Oe at 300K. Electrical resistivity measurements signal the structural transition and suggest the occurrence of avalanche and return-point memory effects, in temperature cycling through the magnetic/structural transition range.

Cyanide bridged hetero-metallic polymeric complexes: Syntheses, vibrational spectra, thermal analyses and crystal structures of complexes [M(1,2-dmi)2Ni(μ-CN)4]n (M = Zn(II) and Cd(II))

NASA Astrophysics Data System (ADS)

Kürkçüoğlu, Güneş Süheyla; Sayın, Elvan; Şahin, Onur

2015-12-01

Two cyanide bridged hetero-metallic complexes of general formula, [M(1,2-dmi)2Ni(μ-CN)4]n (1,2-dmi = 1,2-dimethylimidazole and M = Zn(II) or Cd(II)) have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal analyses and elemental analyses. The crystallographic analyses reveal that the complexes, [Zn(1,2-dmi)2Ni(μ-CN)4] (1) and [Cd(1,2-dmi)2Ni(μ-CN)4] (2), have polymeric 2D networks. In the complexes, four cyanide groups of [Ni(CN)4]2- coordinated to the adjacent M(II) ions and distorted octahedral geometries of complexes are completed by two nitrogen atoms of trans 1,2-dmi ligands. The structures of 1 and 2 are similar and linked via intermolecular hydrogen bonding, C-H⋯Ni interactions to give rise to 3D networks. Vibration assignments are given for all the observed bands and the spectral features also supported to the crystal structures of heteronuclear complexes. The FT-IR and Raman spectra of the complexes are very much consistent with the structural data presented.

Transport properties of RCo_2B_2C with R = Dy, Ho, and Pr single

NASA Astrophysics Data System (ADS)

Duran, Alejandro; Escudero, Roberto

2002-03-01

Single crystals of (Dy, Ho, Pr)Co_2B_2C have been grown by a cold copper crucible method. Metallurgical and structural studies indicate that this borocarbide family melts incongruently and crystallizes as a derivative structure of the ThCr_2Si_2. The family accepts rare earth atoms depending on the type of transition metals used to form the compound. For instance with Ni atoms, all lanthanides ranging from the large lanthanum to lutetium ions are reported to form RNi_2B_2C single crystals, so far no single crystals have been obtained when changing Ni by Cobalt. A comparison of the structural parameters of the RCo_2B_2C with the RNiHo, Pr) compounds indicate that the atomic distance between transition metal atoms contracts with the insertion of the Co ion, resulting in an increasing of the c parameter and decreasing volume. Several recent reports published in the current literature related on the physical properties of RCo_2B_2C (R = rare earth metals and Y) have been only performed on polycrystalline samples, they commonly contain small amounts of second phases. High quality single crystals are necessaries in order to better understand the physical properties, such as anisotropy in the transport and in the magnetic properties. In this report we show magnetic susceptibility and resistivity measurements performed in single crystals in the ab-plane and c direction for 2 - 320 K temperature range for the three single crystals of (Dy, Ho, Pr)Co_2B_2C.

Crystal structure and magnetism of the FexNi8-xSi3 materials, 0 ≤ x ≤ 8

NASA Astrophysics Data System (ADS)

Gallus, Simone; Haddouch, Mohammed Ait; Chikovani, Mamuka; Perßon, Jörg; Voigt, Jörg; Friese, Karen; Senyshyn, Anatoliy; Grzechnik, Andrzej

2018-02-01

The crystal structure and magnetic properties of the materials FexNi8-xSi3 with 0 ≤ x ≤ 8 have been investigated to estimate any possible magnetocaloric effect and compare it to that in known magnetocalorics. Two structural ranges could be identified in this system by X-ray and neutron diffraction. The structure of the samples with 0 ≤ x ≤ 4 is related to the trigonal structure of Ni31Si12. Doubled c lattice parameters compared to the one in Ni31Si12 are observed in the samples with x = 2 and x = 3. The average structure of Fe2Ni6Si3 has been determined by X-ray single-crystal diffraction. The compounds with the compositions 5 ≤ x ≤ 8 crystallize in cubic Fe3Si-type structure. Magnetic measurements have shown that the compound Fe3Ni5Si3 displays a phase transition close to room temperature. However, its magnetocaloric effect is much smaller than the one in the promising magnetocaloric materials.

On the crystallization kinetics of Zr-(Co,Ni)-Al bulk metallic glasses

NASA Astrophysics Data System (ADS)

Qin, X. M.; Zhang, Q. F.; Duan, X. Y.; Wang, X. C.; Jiang, Y. H.; Zhou, R.; Tan, J.

2017-07-01

Zr-based amorphous alloys are promising materials applied in engineering field, due to their strong glass-forming ability, outstanding mechanical properties and relatively low cost. In this work, the crystallization kinetics of Zr56Co18-xNixAl16 (x = 0, 2, 4 and 8; marked as Ni0, Ni2, Ni4 and Ni8, respectively) alloys are investigated in detail. The results show that, due to the addition of Ni, the glass transition of the alloys presents obvious dynamic characteristics, i.e., with the increasing heating rate, all characteristic temperatures are shifted to higher temperature. By fitting the Kissinger equation, the glass transition activation energy of Ni8 is the highest, indicating that Ni8 is much more difficult to crystallize. Therefore, the Ni8 alloy has the strongest anti-crystallization ability in the Zr56Co18-xNixAl16 alloys investigated.

Structural, optical, mechanical and dielectric studies of pure and doped L-Prolinium trichloroacetate single crystals.

PubMed

Renuka, N; Ramesh Babu, R; Vijayan, N; Vasanthakumar, Geetha; Krishna, Anuj; Ramamurthi, K

2015-02-25

In the present work, pure and metal substituted L-Prolinium trichloroacetate (LPTCA) single crystals were grown by slow evaporation method. The grown crystals were subjected to single crystal X-ray diffraction (XRD), powder X-ray diffraction, FTIR, UV-Visible-NIR, hardness, photoluminescence and dielectric studies. The dopant concentration in the crystals was measured by inductively coupled plasma (ICP) analysis. Single crystal X-ray diffraction studies of the pure and metal substituted LPTCA revealed that the grown crystals belong to the trigonal system. Ni(2+) and Co(2+) doping slightly altered the lattice parameters of LPTCA without affecting the basic structure of the crystal. FTIR spectral analysis confirms the presence of various functional groups in the grown crystals. The mechanical behavior of pure and doped crystals was analyzed by Vickers's microhardness test. The optical transmittance, dielectric and photoluminescence properties of the pure and doped crystals were analyzed. Copyright © 2014 Elsevier B.V. All rights reserved.

Cyclic Degradation Behavior of < 001 > -Oriented Fe-Mn-Al-Ni Single Crystals in Tension

NASA Astrophysics Data System (ADS)

Vollmer, M.; Kriegel, M. J.; Krooß, P.; Martin, S.; Klemm, V.; Weidner, A.; Chumlyakov, Y.; Biermann, H.; Rafaja, D.; Niendorf, T.

2017-12-01

In the present study, functional fatigue behavior of a near 〈001〉-oriented Fe-Mn-Al-Ni single crystal was investigated under tensile load. An incremental strain test up to 3.5% strain and cyclic tests up to 25 cycles revealed rapid pseudoelastic degradation. Progressive microstructural degradation was studied by in situ scanning electron microscopy. The results show a partially inhibited reactivation of previously formed martensite and proceeding activation of untransformed areas in subsequent cycles. The preferentially formed martensite variants were identified by means of Schmid factor calculation and the Kurdjumov-Sachs relationship. Post mortem transmission electron microscopy investigations shed light on the prevailing degradation mechanisms. Different types of dislocations were found promoting the progressive degradation during cyclic loading.

Single-Layer graphene growth on crystalline Ni(111) and Ni(110) and the fate of Carbon on crystalline Ni(100).

NASA Astrophysics Data System (ADS)

Araujo, Paulo; Mafra, Daniela; Reina, Alfonso; Shin, Young Cheol; Kim, Ki Kang; Dresselhaus, Mildred; Kong, Jing

The growth of large area single-layer graphene (1-LG) is studied using ambient pressure CVD on single crystal Ni(111), Ni(110) and Ni(100). By varying both the furnace temperature in the range of 700 - 1100oC and the gas flow through the growth chamber, a uniform growth of high-quality 1-LG is obtained for Ni(111) and Ni(110), but only multilayer graphene (M-LG) growth could be obtained for Ni(100). The experimental results are interpreted to obtain the optimum combination of temperature and gas flow, and the results reported in this manuscript are interpreted through different thermodynamic mechanisms, such as diffusion, segregation and adsorption, which dictate the formation of different carbon structures over the different crystallographic directions of Ni. Characterization with optical microscopy, Raman spectroscopy and optical transmission accordingly support the experimental findings. DOE Award Number DE-SC0001088, College of Arts and Sciences at the University of Alabama, NRF Award Number 2015R1C1A1A02037083 and NSF-DMR 1507806.

“Ni{sub 5}TiO{sub 7}” is Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2}

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

Nalbandyan, V.B.

2017-05-15

It is shown that the compound known as Ni{sub 5}TiO{sub 7} and considered as a promising catalyst and oxidation product of alloys does not exist and its XRD pattern actually corresponds to Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2} - Graphical abstract: XRD pattern of “Ni{sub 5}TiO{sub 7}” (top) is identical to that for Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2} (bottom) based on single-crystal structural data. - Highlights: • Popular catalyst known as Ni{sub 5}TiO{sub 7} is actually Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2}. • B{sub 2}O{sub 3} came from the flux used for crystal growth. • Some authors reporting this phase did notmore » use any boron compounds.« less

Synthesis, Crystal Chemistry, and Physical Properties of Ternary Intermetallic Compounds An2T2X( An=Pu, Am; X=ln, Sn; T=Co, Ir, Ni, Pd, Pt, Rh)

NASA Astrophysics Data System (ADS)

Pereira, L. C. J.; Wastin, F.; Winand, J. M.; Kanellakopoulos, B.; Rebizant, J.; Spirlet, J. C.; Almeida, M.

1997-11-01

The synthesis, structural, and physical characterization of nine new ternary intermetallic compounds belonging to the isostructural An2T2Xfamily with the transuranium Pu and Am elements, namely, Pu 2Ni 2In, Pu 2Pd 2In, Pu 2Pt 2In, Pu 2Rh 2In, Pu 2Ni 2Sn, Pu 2Pd 2Sn, Pu 2Pt 2Sn, Am 2Ni 2Sn, and Am 2Pd 2Sn, are reported. From these compounds only Pu 2Rh 2In, Am 2Ni 2Sn, and Am 2Pd 2Sn melt incongruently. All of these compounds crystallize in a tetragonal U 3Si 2-type structure, with the space group P4/ mbm, ( Z=2) as most of the U and Np 2-2-1 compounds already found. In this structure, Anatoms occupy the 4 h( x1, x1+0.5, 0.5), Tthe 4 g( x2, x2+0.5, 0), and Xthe 2 a(0, 0, 0) positions. The average values of x1and x2are, respectively, 0.17 and 0.37. Single-crystal X-ray data were refined to R/ RW=0.045/0.066, 0.043/0.072, 0.066/0.080, 0.070/0.098, 0.029/0.048, 0.055/0.080, 0.073/0.096, 0.048/0.086, 0.048/0.065 for Pu 2Ni 2In, Pu 2Pd 2In, Pu 2Pt 2In, Pu 2Rh 2In, Pu 2Ni 2Sn, Pu 2Pd 2Sn, Pu 2Pt 2Sn, Am 2Ni 2Sn, and Am 2Pd 2Sn, respectively, for seven variables. The variation of the lattice parameters and the range of stability of the 2-2-1 phase are discussed in terms of the substitution of different An(actinide), T(transition metal), and X( p-electron) elements in their crystal structure. The possible role of spin fluctuations in the low-temperature behavior of the Pu samples is indicated by magnetic and electrical resistivity measurements.

Bridgman-Stockbarger growth of SrI2:Eu2+ single crystal

NASA Astrophysics Data System (ADS)

Raja, A.; Daniel, D. Joseph; Ramasamy, P.; Singh, S. G.; Sen, S.; Gadkari, S. C.

2018-05-01

Strontium Iodide (SrI2): Europium Iodide (EuI2) was purified by Zone-refinement process. Europium doped strontium iodide (SrI2:Eu2+) single crystal was grown by modified vertical Bridgman - Stockbarger technique. Photoluminescence (PL) excitation and emission (PLE) spectra were measured for Eu2+ doped SrI2 crystal. The sharp emission was recorded at 432 nm. Scintillation properties of the SrI2:Eu2+ crystal were checked by the gamma ray spectrometer using 137Cs gamma source.

Phase stability, crystal structure and magnetism in (U1-xNbx)2 Ni21B6 and (UyNb1-y)3Ni20B6

NASA Astrophysics Data System (ADS)

Provino, Alessia; Bhattacharya, Amitava; Dhar, Sudesh K.; Pani, Marcella; Gatti, Flavio; Paudyal, Durga; Manfrinetti, Pietro

Ternary phases with composition T2M21X6 and T3M20X6 (T = transition metal; M = 3 d metal; X = B, C, P) are reported to crystallize with the W2Cr21C6-type and Mg3Ni20B6-type, respectively (ternary ordered derivatives of the cubic Cr23C6-type, cF116). They attract interest due to their refractory, mechanical, and peculiar magnetic properties. Literature data on these compounds only concern apparently stoichiometric 2:21:6 and 3:20:6 phases. Often only nominal composition has been reported, with few structural refinements and no measurements of physical properties. Lack of detailed stoichiometry and crystallographic data does not allow sufficient understanding of the crystal chemistry and properties of these compounds. We studied stability, crystal structure and magnetism of (U1-xNbx)2 Ni21B6 and (UyNb1-y)3Ni20B6; stable phases are U2Ni21B6 and Nb3Ni20B6, as also confirmed by theoretical calculations. The two pristine compounds solubilize Nb and U, respectively, up to a given extent. The substitution of U by Nb leads to a structural change from the W2Cr21C6- to the Mg3Ni20B6-type. While U2Ni21B6 is a Pauli paramagnet (itinerant non-magnetic state of U-5 f electrons), in agreement with literature, magnetization data for (UyNb1-y)3 Ni20B6 show itinerant ferromagnetism with TC >300 K.

Synthesis and synchrotron X-ray characterization of two 2D Hoffman related compounds [Ni(p-Xylylenediamine)nNi(CN)4] and [Ni(p-tetrafluoroxylylenediamine)nNi(CN)4

NASA Astrophysics Data System (ADS)

Wong-Ng, W.; Culp, J. T.; Siderius, D. W.; Chen, Y. S.

2018-07-01

Synchrotron X-ray single crystal structure determination of two 2D Hofmann-related compounds, [Ni(p-Xylyenediamine)n-tetracyanonickelate] (abbreviated as Ni-pXdam) and [Ni(tetrafluoro-p-Xylyenediamine)n-tetracyanonickelate] (abbreviated as Ni-pXdamF4), have been conducted. Both the pXdam and pXdamF4 ligands contain two short chains of -CH2NH2 at the para-positions of a phenyl ring. These flexible chains link the 6-fold coordinated Ni2 sites throughout the network. In Ni-pXdam, the closed-2D network of [Ni-(CN-Ni1/4-)4]∞ is broken into 1D chains, leaving the C≡N groups at the trans-positions of the Ni(CN)4 moiety unbridged. The resulting 1D chains [(trans-)-NC-Ni(CN)2-CN-Ni-]∞ runs along the [010] direction of the unit cell. The pXdam ligands bridge in pair between the Ni atoms of the adjacent chains. The catenation structure of [Ni{(pXdam)}]∞ could be referred to as double -1D. In Ni-pXdamF4, the -CH2NH2 ligands connect the neighboring chains via the 6-fold Ni2 site. Surrounding the 4-fold Ni1 site, the two trans terminal C≡N groups were replaced by the Lewis base NH3 during the synthesis process, therefore preventing the propagation of the 2D net to form a 3D network. Computed pore volume of both compounds indicated that there is not sufficient space in the structure to accommodate gas molecules. In both compounds, hydrogen bonds were found, and solvent of crystallization was absent due to the limited free space in the structure.

Magneto-optical Kerr effect of a Ni2.00Mn1.16Ga0.84 single crystal across austenite and intermartensite transitions

NASA Astrophysics Data System (ADS)

Fikáček, Jan; Heczko, Oleg; Kopecký, Vít; Kaštil, Jiří; Honolka, Jan

2018-04-01

We carried out magneto-optical Kerr effect (MOKE) and magnetization measurements on a single crystal of Ni2.00Mn1.16Ga0.84, which is a magnetic shape memory material with application potential for actuator devices or for energy recuperation. Up to the time of our study, there had been reports of MOKE measurements in polar geometry. Against earlier predictions, we show that surface magnetic states of the martensite and the austenite can be also probed efficiently via longitudinal MOKE. A single-variant magnetic state prepared at room temperature is characterized by square-shaped ferromagnetic hysteresis loops yielding coercive fields, which are key material properties for future applications. Temperature dependencies of Kerr rotation were found to be linearly proportional to magnetization for martensitic phases. After passing through an inter-martensitic structural transition below room temperature in zero magnetic field, the coercive fields are more than doubled in comparison with the room temperature values. Above room temperature where an austenite structure is formed, MOKE signals are dominated by quadratic contributions and the magnitude of Kerr rotation drops due to changes in the electronic and magnetic domains structure.

Growth and microtopographic study of CuInSe{sub 2} single crystals

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

Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P.

2016-05-23

The CuInSe{sub 2} single crystals were grown by chemical vapour transport (CVT) technique using iodine as transporting agent. The elemental composition of the as-grown CuInSe{sub 2} single crystals was determined by energy dispersive analysis of X-ray (EDAX). The unit cell crystal structure and lattice parameters were determined by X-ray diffraction (XRD) technique. The surface microtopographic study of the as-grown CuInSe{sub 2} single crystals surfaces were done to study the defects, growth mechanism, etc. of the CVT grown crystals.

Elevated Temperature Creep Deformation in Solid Solution <001> NiAL-3.6Ti Single Crystals

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Noebe, Ronald D.; Darolia, Ram

2003-01-01

The 1100 to 1500 K slow plastic strain rate compressive properties of <001> oriented NiAl-3.6Ti single crystals have been measured, and the results suggests that two deformation processes exist. While the intermediate temperature/faster strain rate mechanism is uncertain, plastic flow at elevated temperature/slower strain rates in NiAl-3.6Ti appears to be controlled by solute drag as described by the Cottrell-Jaswon solute drag model for gliding b = a(sub 0)<101> dislocations. While the calculated activation energy of deformation is much higher (approximately 480 kJ/mol) than the activation energy for diffusion (approximately 290 kJ/mol) used in the Cottrell-Jaswon creep model, a forced temperature compensated - power law fit using the activation energy for diffusion was able to adequately (greater than 90%) predict the observed creep properties. Thus we conclude that the rejection of a diffusion controlled mechanism can not be simply based on a large numerical difference between the activation energies for deformation and diffusion.

Magnetic properties and crystallization kinetics of (Fe 100–xNi x) 80Nb 4Si 2B 14 metal amorphous nanocomposites

DOE PAGES

Aronhime, Natan; Zoghlin, Eli; Keylin, Vladimir; ...

2017-09-26

Fe-Ni based metal amorphous nanocomposites (MANCs) are investigated in the pseudo-binary alloys (Fe 100–xNi x) 80Nb 4Si 2B 14. To optimize the soft magnetic properties of the nanocomposites, primary and secondary crystallization kinetics must be understood. As such, primary and secondary crystallization temperatures are determined by differential scanning calorimetry, and activation energies are calculated, along with the resulting crystalline phases. Time-temperature-transformation diagrams for primary and secondary crystallization in (Fe 70Ni 30) 80Nb 4Si 2B 14 are presented. Saturation magnetization and Curie temperature are determined. In conclusion, the shape of magnetization vs. time curves for (Fe 30Ni 70) 80Nb 4Si 2Bmore » 14 at various temperatures suggest that the secondary crystal product often consumes some of the primary crystalline product.« less

Magnetic refrigeration capabilities of magnetocaloric Ni2Mn:75Cu:25Ga

NASA Astrophysics Data System (ADS)

Mishra, S. K.; Jenkins, C. A.; Dubenko, I.; Samanta, T.; Ali, N.; Roy, S.

2013-03-01

Doping-driven competition between energetically similar ground states leads to many exciting materials phenomena such as the emergence of high-Tc superconductivity, diluted magnetic semiconductors, and colossal magnetoresistance. Doped Ni2MnGa Heusler alloy, which is a multifunctional ferromagnetic alloy with various exotic physical properties demonstrates this notion of rich phenomenology via modified ground spin states. Adopting this generic concept, here we will present a novel doped Ni2Mn.75Cu.25Ga alloy that offers unprecedented co-existence of the magnetocaloric effect and fully controlled ferromagnetism at room temperature. Application of site engineering enables us to manipulate the ground spin state that leads to the decrease in magnetic transition temperature and also increases the delocalization of the Mn magnetism. SQUID magnetometery suggests that Cu doping enhances the saturation magnetization, coercive field and clarity of magnetic hysteresis loops. By exploiting x-ray absorption techniques and measuring element specific magnetic hysteresis loops, here we will describe the microscopic origin of enhnaced magnetocaloric properties and d-d interaction driven charge transfer effects in Ni2Mn.75Cu.25Ga This work was supported by DOE Grant No. DE-FG02-06ER46291

Synthesis, structure and DFT conformation analysis of CpNiX(NHC) and NiX2(NHC)2 (X = SPh or Br) complexes

NASA Astrophysics Data System (ADS)

Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé

2017-11-01

The synthesis, density functional theory (DFT) conformational study and structure analysis of novel two-legged piano stool Ni N-heterocyclic carbene (NHC) complexes and square planar Ni bis-N-heterocyclic carbene complexes, all containing either bromido- or thiophenolato ligands, are described. [CpNi(SPh)(NHC)] complexes were obtained from the neutral 18-electron [CpNiBr(NHC)] complexes by substitution of a bromido ligand with SPh, using NEt3 as a base to abstract the proton of HSPh. The 16-electron biscarbene complexes [Ni(SPh)2{NHC}2] were isolated when an excess of HSPh was added to the reaction mixture. Biscarbene complexes of the type [NiBr2(NHC)2] were obtained in the reaction of NiCp2 with a slight excess of the specific imidazolium bromide salt. The molecular and electronic structures of the mono- and bis-N-heterocyclic carbene complexes have been analysed using single crystal diffraction and density functional theory (DFT) calculations, to give insight into their structural properties.

Effect of thermal fatigue on the structure and properties of Ni3Al-based alloy single crystals

NASA Astrophysics Data System (ADS)

Povarova, K. B.; Drozdov, A. A.; Bazyleva, O. A.; Bulakhtina, M. A.; Alad'ev, N. A.; Antonova, A. V.; Arginbaeva, E. G.; Morozov, A. E.

2014-05-01

The effect of thermal fatigue during tests of <001> and <111> single crystals according to the schedules 100 ai 850°C, 100 ai 1050°C, 100 ai 1100°C at a peak-to-peak stress Δσtc = 700-1000 MPa (sum of the maximum tensile and compressive stresses in a thermal cycle) on the structure, the fracture, and the fatigue life of an Ni3Al-based VKNA-1V alloy is studied. It is found that, at 103 thermal cycles, the <111> single crystals have the maximum thermal fatigue resistance at the maximum cycle temperature of 850 and 1050°C, and the properties of the <001> and <111> samples are almost the same at the maximum thermal cycle temperature of 1100°C. After thermal cycling at the maximum temperature of 850°C, the γ layers in the two-phase γ' + γ region in dendrites remain a single-phase structure, as in the as-cast material, and the layer thickness is 100-150 nm. When the maximum thermal cycle temperature increases to 1050 or 1100°C, the discontinuous γ-phase layers in the γ'(Ni3Al) matrix change their morphology and become shorter and wider (their thickness is 300-700 nm). The nickel-based supersaturated solid solution in these layers decomposes with the formation of secondary γ'(Ni3Al)-phase (γ'sec) precipitates in the form of cuboids 50 and 100 nm in size at the maximum cycle temperature of 1050 and 1100°C, respectively. The alternating stresses that appear during thermal cycling cause plastic deformation. As in nickel superalloys, this deformation at the first stage proceeds via the slip of screw dislocations along octahedral {111} planes. Networks of 60° dislocation segments form at γ'/γ interfaces in this case. Fracture begins at the lines of intersection of the slip planes of the {111} octahedron with the sample surface. During fractional, a crack passes from one octahedral plane to another and forms terraces and steps (crystallographic fracture); as a result, the fracture surface bends and becomes curved. In all cases, the fracture surfaces have a

Influence of NiO on the crystallization kinetics of near stoichiometric cordierite glasses nucleated with TiO2

NASA Astrophysics Data System (ADS)

Goel, Ashutosh; Shaaban, Essam R.; Ribeiro, Manuel J.; Melo, Francisco C. L.; Ferreira, José M. F.

2007-09-01

This work presents the effect of NiO on the thermal behavior and the crystallization kinetics of glasses lying near the stoichiometric cordierite composition nucleated with TiO2. Three glasses with NiO content varying between 1 and 5 mol% have been synthesized in Pt crucibles. Activation energies for structural relaxation and viscous flow have been calculated using the data obtained from differential thermal analysis (DTA). Kinetic fragility of the glasses along with other thermal parameters has been calculated. Non-isothermal crystallization kinetic studies have been employed to study the mechanism of crystallization in all three glasses. The crystallization sequence in the glasses has been followed by x-ray diffraction analysis of the heat treated glass samples in the temperature range of 800-1200 °C. μ-cordierite has been observed to be the first crystalline phase in all the glass samples after heat treatment at 850 °C, while NiO plays an important role in determining the crystallization sequence at higher temperatures, leading to the formation of α-cordierite.

Effect of Hf-Rich Particles on the Creep Life of a High-strength Nial Single Crystal Alloy

NASA Technical Reports Server (NTRS)

Garg, A.; Raj, S. V.; Darolia, R.

1995-01-01

Additions of small amounts of Hf and Si to NiAl single crystals significantly improve their high-temperature strength and creep properties. However, if large Hf-rich dendritic particles formed during casting of the alloyed single crystals are not dissolved completely during homogenization heat treatment, a large variation in creep rupture life can occur. This behavior, observed in five samples of a Hf containing NiAl single crystal alloy tested at 1144 K under an initial stress of 241.4 MPa, is described in detail highlighting the role of interdendritic Hf-rich particles in limiting creep rupture life.

Hybridized Phosphate with Ultrathin Nanoslices and Single Crystal Microplatelets for High Performance Supercapacitors

PubMed Central

Zhao, Yufeng; Chen, Zhaoyang; Xiong, Ding-Bang; Qiao, Yuqing; Tang, Yongfu; Gao, Faming

2016-01-01

A novel hybridized phosphate is developed through a mild hydrothermal method to construct high performance asymmetric supercapacitor. Single layered (Ni,Co)3(PO4)2·8H2O nanoslices (∼1 nm) and single crystal (NH4)(Ni,Co)PO4·0.67H2O microplatelets are obtained through a template sacrificial method and dissolution recrystallization approach respectively in one step. This unique hybridized structure delivers a maximum specific capacitance of 1128 F g−1 at current density of 0.5 A g−1. The asymmetric supercapacitor (ASC) based on the hybrid exhibits a high energy density of 35.3 Wh kg−1 at low power density, and still holds 30.9 Wh kg−1 at 4400 W kg−1. Significantly, the ASC manifests very high cycling stability with 95.6% capacitance retention after 5000 cycles. Such excellent electrochemical performance could be attributed to the synergistic effect of the surface redox reaction from the ultrathin nanoslices and ion intercalation from the single crystal bulk structure. This material represents a novel kind of electrode material for the potential application in supercapacitors. PMID:26833204

Hybridized Phosphate with Ultrathin Nanoslices and Single Crystal Microplatelets for High Performance Supercapacitors

NASA Astrophysics Data System (ADS)

Zhao, Yufeng; Chen, Zhaoyang; Xiong, Ding-Bang; Qiao, Yuqing; Tang, Yongfu; Gao, Faming

2016-02-01

A novel hybridized phosphate is developed through a mild hydrothermal method to construct high performance asymmetric supercapacitor. Single layered (Ni,Co)3(PO4)2·8H2O nanoslices (˜1 nm) and single crystal (NH4)(Ni,Co)PO4·0.67H2O microplatelets are obtained through a template sacrificial method and dissolution recrystallization approach respectively in one step. This unique hybridized structure delivers a maximum specific capacitance of 1128 F g-1 at current density of 0.5 A g-1. The asymmetric supercapacitor (ASC) based on the hybrid exhibits a high energy density of 35.3 Wh kg-1 at low power density, and still holds 30.9 Wh kg-1 at 4400 W kg-1. Significantly, the ASC manifests very high cycling stability with 95.6% capacitance retention after 5000 cycles. Such excellent electrochemical performance could be attributed to the synergistic effect of the surface redox reaction from the ultrathin nanoslices and ion intercalation from the single crystal bulk structure. This material represents a novel kind of electrode material for the potential application in supercapacitors.

Ultra-precision process of CaF2 single crystal

NASA Astrophysics Data System (ADS)

Yin, Guoju; Li, Shengyi; Xie, Xuhui; Zhou, Lin

2014-08-01

This paper proposes a new chemical mechanical polishing (CMP) process method for CaF2 single crystal to get ultraprecision surface. The CMP processes are improving polishing pad and using alkaline SiO2 polishing slurry with PH=8, PH=11 two phases to polish, respectively, and the roughness can be 0.181nm Rq (10μm×10μm). The CMP process can't get high surface figure, so we use ion beam figuring (IBF) technology to obtain high surface figure. However, IBF is difficult to improve the CaF2 surface roughness. We optimize IBF process to improve surface figure and keep good surface roughness too. Different IBF incident ion energy from 400ev to 800ev does not affect on the surface roughness obviously but the depth of material removal is reverse. CaF2 single crystal can get high precision surface figure (RMS=2.251nm) and still keep ultra-smooth surface (Rq=0.207nm) by IBF when removal depth is less than 200nm. The researches above provide important information for CaF2 single crystal to realize ultra-precision manufacture.

Growth of PBI 2 single crystals from stoichiometric and Pb excess melts

NASA Astrophysics Data System (ADS)

Hayashi, T.; Kinpara, M.; Wang, J. F.; Mimura, K.; Isshiki, M.

2008-01-01

We have successfully grown high-purity and -quality PbI 2 single crystals by the vertical Bridgman method. The rocking curves of four-crystal X-ray diffraction (XRD) show 120 arcsec in full-width at half-maximum (FWHM). The photoluminescence (PL) spectra at 7.8 K show the resolved intensive exciton emission line and the weak DAP emission band. The deep-level emissions are not observed. The measurement of the electrical and radiographic properties show that Leadiodide (PbI 2) single crystal has a resistivity of 5×10 10 Ω cm and imager lag is 8 s, respectively. In order to improve the controllability of crystal growth, PbI 2 single crystals were also grown from a lead (Pb) excess PbI 2 source. The experimental results show very good reproducibility. In addition, the growth models of crystal are proposed, and the growth mechanism is discussed.

The Relevant Role of Dislocations in the Martensitic Transformations in Cu-Al-Ni Single Crystals

NASA Astrophysics Data System (ADS)

Gastien, R.; Sade, M.; Lovey, F. C.

2018-03-01

The interaction between dislocations and martensitic transformations in Cu-Al-Ni alloys is shortly reviewed. Results from many researchers are critically analyzed towards a clear interpretation of the relevant role played by dislocations on the properties of shape memory alloys in Cu-based alloys. Both thermally and stress-induced transformations are considered and focus is paid on two types of transitions, the β→β' and the formation of a mixture of martensites: β→β' + γ'. After cycling in the range where both martensites are formed, the twinned γ' phase is inhibited and cycling evolves into the formation of only β'. A model which considers the difference in energy of each γ' twin variant due to the introduced dislocations quantitatively explains the inhibition of γ' in both thermally and stress-induced cycling. The type of dislocations which are mainly introduced, mixed with Burgers vector belonging to the basal plane of the β' martensite, enables also to explain the unmodified mechanical behavior during β→β' cycling. The reported behavior shows interesting advantages of Cu-Al-Ni single crystals if mechanical properties are comparatively considered with those in other Cu-based alloys.

Defect Engineering in SrI 2:Eu 2+ Single Crystal Scintillators

DOE PAGES

Wu, Yuntao; Boatner, Lynn A.; Lindsey, Adam C.; ...

2015-06-23

Eu 2+-activated strontium iodide is an excellent single crystal scintillator used for gamma-ray detection and significant effort is currently focused on the development of large-scale crystal growth techniques. A new approach of molten-salt pumping or so-called melt aging was recently applied to optimize the crystal quality and scintillation performance. Nevertheless, a detailed understanding of the underlying mechanism of this technique is still lacking. The main purpose of this paper is to conduct an in-depth study of the interplay between microstructure, trap centers and scintillation efficiency after melt aging treatment. Three SrI 2:2 mol% Eu2+ single crystals with 16 mm diametermore » were grown using the Bridgman method under identical growth conditions with the exception of the melt aging time (e.g. 0, 24 and 72 hours). Using energy-dispersive X-ray spectroscopy, it is found that the matrix composition of the finished crystal after melt aging treatment approaches the stoichiometric composition. The mechanism responsible for the formation of secondary phase inclusions in melt-aged SrI 2:Eu 2+ is discussed. Simultaneous improvement in light yield, energy resolution, scintillation decay-time and afterglow is achieved in melt-aged SrI 2:Eu 2+. The correlation between performance improvement and defect structure is addressed. The results of this paper lead to a better understanding of the effects of defect engineering in control and optimization of metal halide scintillators using the melt aging technique.« less

Crystal structures and magnetic properties of polyethylene glycol (PEG-4000) and silica-encapsulated nickel ferrite (NiFe2O4) nanoparticles

NASA Astrophysics Data System (ADS)

Shofiah, Siti; Muflihatun, Suharyadi, Edi

2016-04-01

Crystal structures and magnetic properties of polyethylene glycol (PEG-4000) and silica encapsulated nickel ferrite (NiFe2O4) nanoparticles comparable sizes have been studied in detail. NiFe2O4 were prepared by co-precipitation methods. Crystalline size is 4.8 ± 0.2 nm became 1.6 ± 0.1 nm and 10.6 ± 0.3 nm after encapsulated PEG-4000 and silica, respectively. Transmission electron microscopy (TEM) showed that encapsulated PEG-4000 and silica decreased agglomeration, controlled shape of nanoparticles more spherical and dispersed. Coercivity of NiFe2O4 was 46.2 Oe and then increased after encapsulated PEG-4000 to 47.8 Oe can be related to the multi-domains of NiFe2O4 as influence the crystalline size was decreased. Meanwhile, after encapsulated silica, coercivity of NiFe2O4 became 93 Oe as influence the crystalline size was increased at single-domains due to its strong shape anisotropy. Magnetization value decreased from 5.7 emu/g to 5.3 emu/g and 3.6 emu/g after encapsulated PEG-4000 and silica, respectively. The remanent magnetization showed decreasing when saturation magnetization decreased, and conversely. However, it also depends on presence of α-Fe2O3 phases and their material non magnetic of encapsulating. Based on the result, The magnetic properties exhibit a strong dependence on the crystalline size as influence PEG-4000 and silica encapsulated NiFe2O4 nanoparticles.

Crystal growth and electrical properties of CuFeO 2 single crystals

NASA Astrophysics Data System (ADS)

Dordor, P.; Chaminade, J. P.; Wichainchai, A.; Marquestaut, E.; Doumerc, J. P.; Pouchard, M.; Hagenmuller, P.; Ammar, A.

1988-07-01

Delafossite-type CuFeO 2 single crystals have been prepared by a flux method: crystals obtained in a Cu crucible with LiBO 2 as flux are n-type whereas those prepared in a Pt crucible with a Cu 2O flux are p-type. Electrical measurements have revealed that n-type crystals exhibit weak anisotropic conductivities with large activation energies and small mobilities (r.t. values perpendicular and parallel to the c-axis: μ⊥ = 5 × 10 -5 and μ‖ = 10 -7 cm -2 V -1 sec -1). p-type crystals, less anisotropic, are characterized by low activation energies and higher mobilities ( μ⊥ = 34 and μ‖ = 8.9 cm 2 V -1 sec -1). A two -conduction-band model is proposed to account for the difference observed between the energy gap value deduced from photoelectrochemical measurements and the activation energy of the electrical conductivity in the intrinsic domain.

Slip and Twinning in the [ 1 ¯ $ /line{mathbf{1}} $ 49]-Oriented Single Crystals of a High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Kireeva, I. V.; Chumlyakov, Yu. I.; Pobedennaya, Z. V.; Platonova, Yu. N.; Kuksgauzen, I. V.; Kuksgauzen, D. A.; Poklonov, V. V.; Karaman, I.; Sehitoglu, H.

2016-12-01

Using [ overline{1} 49] - oriented single crystals of an FCC Fe20Ni20Mn20Cr20Co20 (at.%) high-entropy alloy subjected to tensile deformation, the temperature dependence of critical resolved shear stresses τcr(T) and the deformation mechanism of slip and twinning are investigated in the early stages of deformation at ɛ ≤ 5% within the temperature interval T = 77-573 K. It is shown that τcr increases with decreasing the testing temperature and the τcr(T) temperature dependence is controlled by the slip of perfect dislocations a/2<110>. The early deformation stages ɛ ≤ 5% are associated with the development of planar slip by pileups of perfect dislocations a/2<110>, stacking faults and mechanical twins, which is observed in the temperature interval from 77 to 423 K. A comparison of the temperature dependence τcr(T) and the development of mechanical twinning is performed between the [ overline{1} 49] -oriented single crystals of the Fe20Ni20Mn20Cr20Co20 high-entropy alloy, the single crystals of the austenitic stainless steel, Fe - 18% Cr - 12% Ni - 2Mo (wt.%) without nitrogen atoms (Steel 316) and Hadfield steel, Fe - 13% Mn - (1-1.3)% C (wt.%).

Synthesis and structural characterization of bulk Sb2Te3 single crystal

NASA Astrophysics Data System (ADS)

Sultana, Rabia; Gahtori, Bhasker; Meena, R. S.; Awana, V. P. S.

2018-05-01

We report the growth and characterization of bulk Sb2Te3 single crystal synthesized by the self flux method via solid state reaction route from high temperature melt (850˚C) and slow cooling (2˚C/hour) of constituent elements. The single crystal X-ray diffraction pattern showed the 00l alignment and the high crystalline nature of the resultant sample. The rietveld fitted room temperature powder XRD revealed the phase purity and rhombohedral structure of the synthesized crystal. The formation and analysis of unit cell structure further verified the rhombohedral structure composed of three quintuple layers stacked one over the other. The SEM image showed the layered directional growth of the synthesized crystal carried out using the ZEISS-EVOMA-10 scanning electron microscope The electrical resistivity measurement was carried out using the conventional four-probe method on a quantum design Physical Property Measurement System (PPMS). The temperature dependent electrical resistivity plot for studied Sb2Te3 single crystal depicts metallic behaviour in the absence of any applied magnetic field. The synthesis as well as the structural characterization of as grown Sb2Te3 single crystal is reported and discussed in the present letter.

Morphology of growth of Bi2Sr2CaCu2O8 single crystals

NASA Astrophysics Data System (ADS)

Indenbom, M. V.; van der Beek, C. J.; Berseth, V.; Wolf, Th.; Berger, H.; Benoit, W.

1996-12-01

A good correlation of twins on the basal surface of flux-grown Bi2Sr2CaCu2Ox (BSCCO) single crystals with surface. growth steps is observed, the b-axis being perpendicular to the steps and, thus, parallel to the growth direction. It is found that mono-twin BSCCO single crystals produced by the travelling solvent floating zone method also grow preferentially along b, i.e. nearly perpendicularly to the boule axis, contrary to the common belief. This new understanding of the morphology of growth explains the nature of major defects in these crystals, which considerably change their measured superconducting properties, in a different way.

Molecules based on M(v) (M=Mo, W) and Ni(II) ions: a new class of trigonal bipyramidal cluster and confirmation of SMM behavior for the pentadecanuclear molecule {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[micro-CN]30[WV(CN)3]6}.

PubMed

Hilfiger, Matthew G; Zhao, Hanhua; Prosvirin, Andrey; Wernsdorfer, Wolfgang; Dunbar, Kim R

2009-07-14

The preparation, single crystal X-ray crystallography, and magnetic properties are reported for four new clusters based on [M'V(CN)8]3- octacyanometallates (M'=Mo, W). Reactions of [M'V(CN)8]3- with mononuclear NiII ions in the presence of the tmphen blocking ligand (tmphen=3,4,7,8-tetramethyl-1,10-phenanthroline) in a 2:3:6 ratio, respectively, lead to the formation of the trigonal bipyramidal clusters [NiII(tmphen)2]3[M'V(CN)8]2. Analogous reactions with the same starting materials performed in a 2:3:2 ratio, respectively, produce pentadecanuclear clusters of the type {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[micro-CN]30[WV(CN)3]6}. The W2Ni3 (1) and Mo2Ni3(2) pentanuclear clusters and the W6Ni9 (3) and Mo6Ni9 (4) pentadecanuclear molecules are isostructural to each other and crystallize in the space groups P2(1)/c and R3 respectively. Magnetic measurements indicate that the ground states for the trigonal bipyamidal clusters are S=4 as a consequence of ferromagnetic coupling with JW-Ni=9.5 cm(-1), JMo-Ni=10 cm(-1). The pentadecanuclear clusters exhibit ferromagnetic coupling as well, which leads to S=12 ground states (JW-Ni=12 cm(-1), JMo-Ni=12.2 cm(-1)). Reduced magnetization studies on the W-Ni analogues support the conclusion that they exhibit a negative axial anisotropy term; the fits give D values of -0.24 cm(-1) for the W2Ni3 cluster and D=-0.04 cm(-1)for the W6Ni9 cluster. AC susceptibility measurements indicate the beginning of an out-of-phase signal for the W2Ni3 and the W6Ni9 compounds, but detailed low temperature studies on small crystals by the microSQUID technique indicate that only the pentadecanuclear cluster exhibits hysteresis in accord with SMM behavior. Neither Mo cluster reveals any evidence for slow paramagnetic relaxation at low temperatures.

Growth of a decagonal Al 70Ni 15Co 15 single quasicrystal by the Czochralski method

NASA Astrophysics Data System (ADS)

Jeong, H. T.; Kim, S. H.; Kim, W. T.; Kim, D. H.; Inkson, B. J.

2000-07-01

Single decagonal quasicrystals of Al 70Ni 15Co 15 were grown by the Czochralski method at Ar atmosphere. The grown crystals were of single decagonal phase without any secondary phases due to the peritectic reaction and contained a large single quasicrystal of cm order size. The high quality and single quasicrystallinity of them were examined by the Laue transmission photography, single crystal X-ray diffraction, and high-resolution electron microscopy investigations.

Crystal orientation dependence of band matching in all-B2-trilayer current-perpendicular-to-plane giant magnetoresistance pseudo spin-valves using Co{sub 2}Fe(Ge{sub 0.5}Ga{sub 0.5}) Heusler alloy and NiAl spacer

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

Chen, Jiamin; Hono, K., E-mail: kazuhiro.hono@nims.go.jp; Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-2-1, Sengen, Tsukuba 305-0047

2015-05-07

We have experimentally investigated the crystal orientation dependence of band matching in current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) pseudo-spin-valves using Co{sub 2}Fe(Ge{sub 0.5}Ga{sub 0.5}) (CFGG) Heusler alloy ferromagnetic layer and NiAl spacer. The high quality epitaxial CFGG/NiAl/CFGG all-B2-trilayers structure devices were fabricated on both MgO(001) and sapphire (112{sup ¯}0) single crystal substrates to create (001) and (110) crystal orientations. Same magneto-transport properties were observed from these two differently orientated devices indicating that there is no or little orientation dependence of band matching on MR output. We also found that all-B2-trilayer structure was free of lattice matching influence depending on the crystal orientation,more » which made it a good candidate for CPP-GMR device.« less

Flux-flow and vortex-glass phase in iron pnictide {{BaFe}}_{2-x}{{Ni}}_{x}{{As}}_{2} single crystals with {T}_{c}\\,\\sim \\,20 K

NASA Astrophysics Data System (ADS)

Salem-Sugui, S., Jr.; Alvarenga, A. D.; Luo, H.-Q.; Zhang, R.; Gong, D.-L.

2017-01-01

We analysed the flux-flow region of isofield magnetoresistivity data obtained on three crystals of {{BaFe}}2-x Ni x As2 with T c ˜ 20 K for three different geometries relative to the angle formed between the applied magnetic field and the c-axis of the crystals. The field dependent activation energy, U 0, was obtained from the thermal assisted flux-flow (TAFF) and modified vortex-glass models, which were compared with the values of U 0 obtained from flux-creep available in the literature. We observed that the U 0 obtained from the TAFF model show deviations among the different crystals, while the correspondent glass lines obtained from the vortex-glass model are virtually coincident. It is shown that the data is well explained by the modified vortex-glass model, allowing extract of values of T g, the glass transition temperature, and {T}* , a temperature which scales with the mean field critical temperature {T}{{c}}(H). The resulting glass lines obey the anisotropic Ginzburg-Landau theory and are well fitted by a theory developed in the literature by considering the effect of disorder.

Synthesis, crystal structure, NLO and Hirshfeld surface analysis of 1,2,3-triazolyl chalcone single crystal

NASA Astrophysics Data System (ADS)

Shruthi, C.; Ravindrachary, V.; Guruswamy, B.; Lokanath, N. K.; Kumara, Karthik; Goveas, Janet

2018-05-01

Needle shaped brown coloured single crystal of the title compound was grown by slow evaporation technique using methanol as solvent. The grown crystal was characterized using FT-IR, Single crystal XRD, UV-visible and NLO studies. Crystal structure was confirmed by FT-IR study and the functional groups were identified. XRD study reveals that the crystal belongs to orthorhombic crystal system with pnaa space group and the corresponding cell parameters were calculated. UV-visible spectrum shows that the crystal is transparent in the entire visible region and absorption takes place in the UV-range. NLO efficiency of the crystal obtained 0.66 times that of urea was determined by SHG test. The intermolecular interaction and percentage contribution of each individual atom in the crystal lattice was quantized using Hirshfeld surface and 2D finger print analysis.

Ni3Si2 nanowires grown in situ on Ni foam for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Jiang, Yizhe; Li, Zhihui; Li, Beibei; Zhang, Jinying; Niu, Chunming

2016-07-01

Ni3Si2 nanowires and nanoawls have grown in situ on the surface of Ni foams by a controlled low pressure chemical vapor deposition process. Structural characterization shows that the individual Ni3Si2 nanowire is single crystal covered with a thin layer (1-2 nm) of SiO2 with a diameter of ∼20-30 nm and length of ten's micrometers. Individual nanoawl with a circular cone shape is polycrystalline. Both Ni3Si2 nanowire and nanoawl samples are evaluated as potential electrode materials for supercapacitors. The nanowire electrode delivers a very high specific capacitance and excellent rate capability. A specific capacitance of 760 F g-1 is measured at current density of 0.5 A g-1, which decreases to 518 F g-1 when the current density increases to 10 A g-1. The capacitance is dominated by pseudocapacitance with a mechanism similar to that of NiO or Ni(OH)2 widely studied in the literature. An asymmetric supercapacitor fabricated by pairing Ni3Si2 nanowire electrode with an activated carbon electrode exhibits energy densities of 17.5 Wh kg-1 and 8.8 Wh kg-1 at power densites of 301 W kg-1 and 3000 W kg-1.

Finite Element Analysis of a Copper Single Crystal Shape Memory Alloy-Based Endodontic Instruments

NASA Astrophysics Data System (ADS)

Vincent, Marin; Thiebaud, Frédéric; Bel Haj Khalifa, Saifeddine; Engels-Deutsch, Marc; Ben Zineb, Tarak

2015-10-01

The aim of the present paper is the development of endodontic Cu-based single crystal Shape Memory Alloy (SMA) instruments in order to eliminate the antimicrobial and mechanical deficiencies observed with the conventional Nickel-Titane (NiTi) SMA files. A thermomechanical constitutive law, already developed and implemented in a finite element code by our research group, is adopted for the simulation of the single crystal SMA behavior. The corresponding material parameters were identified starting from experimental results for a tensile test at room temperature. A computer-aided design geometry has been achieved and considered for a finite element structural analysis of the endodontic Cu-based single crystal SMA files. They are meshed with tetrahedral continuum elements to improve the computation time and the accuracy of results. The geometric parameters tested in this study are the length of the active blade, the rod length, the pitch, the taper, the tip diameter, and the rod diameter. For each set of adopted parameters, a finite element model is built and tested in a combined bending-torsion loading in accordance with ISO 3630-1 norm. The numerical analysis based on finite element procedure allowed purposing an optimal geometry suitable for Cu-based single crystal SMA endodontic files. The same analysis was carried out for the classical NiTi SMA files and a comparison was made between the two kinds of files. It showed that Cu-based single crystal SMA files are less stiff than the NiTi files. The Cu-based endodontic files could be used to improve the root canal treatments. However, the finite element analysis brought out the need for further investigation based on experiments.

Low-cost single-crystal turbine blades, volume 2

NASA Technical Reports Server (NTRS)

Strangman, T. E.; Dennis, R. E.; Heath, B. R.

1984-01-01

The overall objectives of Project 3 were to develop the exothermic casting process to produce uncooled single-crystal (SC) HP turbine blades in MAR-M 247 and higher strength derivative alloys and to validate the materials process and components through extensive mechanical property testing, rig testing, and 200 hours of endurance engine testing. These Program objectives were achieved. The exothermic casting process was successfully developed into a low-cost nonproperietary method for producing single-crystal castings. Single-crystal MAR-M 247 and two derivatives DS alloys developed during this project, NASAIR 100 and SC Alloy 3, were fully characterized through mechanical property testing. SC MAR-M 247 shows no significant improvement in strength over directionally solidified (DS) MAR-M 247, but the derivative alloys, NASAIR 100 and Alloy 3, show significant tensile and fatigue improvements. Firtree testing, holography, and strain-gauge rig testing were used to determine the effects of the anisotropic characteristics of single-crystal materials. No undesirable characteristics were found. In general, the single-crystal material behaved similarly to DS MAR-M 247. Two complete engine sets of SC HP turbine blades were cast using the exothermic casting process and fully machined. These blades were successfully engine-tested.

Theoretical study of local structure for Ni2+ ions at tetragonal sites in K2ZnF4:Ni2+ system.

PubMed

Wang, Su-Juan; Kuang, Xiao-Yu; Lu, Cheng

2008-12-15

A theoretical method for studying the local lattice structure of Ni2+ ions in (NiF6)(4-) coordination complex is presented. Using the ligand-field model, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. Based on the theoretical formulas, the 45 x 45 complete energy matrices for d8 (d2) configuration ions in a tetragonal ligand-field are constructed. By diagonalizing the complete energy matrices, the local distortion structure parameters (R perpendicular and R || ) of Ni2+ ions in K2ZnF4:Ni2+ system have been investigated. The theoretical results are accorded well with the experimental values. Moreover, to understand the detailed physical and chemical properties of the fluoroperovskite crystals, the theoretical values of the g factor of K2ZnF4:Ni2+ system at 78 and 290 K are reported first.

Theoretical study of local structure for Ni 2+ ions at tetragonal sites in K 2ZnF 4:Ni 2+ system

NASA Astrophysics Data System (ADS)

Wang, Su-Juan; Kuang, Xiao-Yu; Lu, Cheng

2008-12-01

A theoretical method for studying the local lattice structure of Ni 2+ ions in (NiF 6) 4- coordination complex is presented. Using the ligand-field model, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. Based on the theoretical formulas, the 45 × 45 complete energy matrices for d8 ( d2) configuration ions in a tetragonal ligand-field are constructed. By diagonalizing the complete energy matrices, the local distortion structure parameters ( R⊥ and R||) of Ni 2+ ions in K 2ZnF 4:Ni 2+ system have been investigated. The theoretical results are accorded well with the experimental values. Moreover, to understand the detailed physical and chemical properties of the fluoroperovskite crystals, the theoretical values of the g factor of K 2ZnF 4:Ni 2+ system at 78 and 290 K are reported first.

Growth of 2 Inch Eu-doped SrI2 single crystals for scintillator applications

NASA Astrophysics Data System (ADS)

Yoshikawa, Akira; Shoji, Yasuhiro; Yokota, Yuui; Kurosawa, Shunsuke; Hayasaka, Shoki; Chani, Valery I.; Ito, Tomoki; Kamada, Kei; Ohashi, Yuji; Kochurikhin, Vladimir

2016-10-01

A vertical Bridgman (VB) crystal growth process was established using modified micro-pulling-down (μ-PD) crystal growth system with a removable chamber that was developed for the growth of deliquescent halide single crystals because conventional μ-PD method does not allow growth of large bulk single crystals. Eu:SrI2 crystals were grown from the melt of (Sr0.98Eu0.02)I2 composition using carbon crucibles. Undoped μ-PD SrI2 crystals were used as seeds that were affixed to the bottom of the crucible. All the preparations preceding the growths and the hot zone assembling were performed in a glove box with Ar gas. Then the removable chamber was taken out of the glove box, attached to the μ-PD system, connected with a Turbo Molecular pump, and evacuated down to 10-4 Pa at 300 °C. After the baking procedure, high purity Ar gas (6N) was injected into the chamber. The crucible was heated by a high frequency induction coil up to the melting point of Eu:SrI2. After melting the starting materials, the crucible was displaced in downward direction for the crystal growth and then cooled down to room temperature. Thus, 2 in. and crack-free Eu:SrI2 bulk crystals were produced. The crystals had high transparency and did not contain any visible inclusions. The crystals were cut and polished in the glove box and then sealed in an aluminum container with an optical window for characterization. The details of the crystal growth are discussed.

Kinetics of Glass Transition and Crystallization of a Zr40Hf10Ti4Y1Al10Cu25Ni7Co2Fe1 Bulk Metallic Glass with High Mixing Entropy

NASA Astrophysics Data System (ADS)

Gong, Pan; Wang, Sibo; Li, Fangwei; Wang, Xinyun

2018-04-01

The kinetics of glass transition and crystallization of a novel Zr40Hf10Ti4Y1Al10Cu25Ni7Co2Fe1 bulk metallic glass (BMG) with high mixing entropy have been studied by differential scanning calorimetry (DSC) and X-ray diffraction (XRD). The continuous DSC curves show five stages of crystallization at lower heating rates (≤ 20 K/min). The activation energies of glass transition were determined by Moynihan and Kissinger methods, while the activation energies of crystallization were calculated utilizing Kissinger, Ozawa, and Boswell models. The crystalline phases corresponding to each crystallization step have been found out. The kinetic fragility of Zr40Hf10Ti4Y1Al10Cu25Ni7Co2Fe1 BMG has also been evaluated. Based on the isothermal DSC curves, the Avrami exponent, evaluated from the Johnson-Mehl-Avrami equation, has been analyzed in detail. The current study reveals that the crystallization behavior of Zr40Hf10Ti4Y1Al10Cu25Ni7Co2Fe1 BMG exhibits characteristics of both the high entropy BMGs and traditional BMGs with a single principal element, leading to its high glass-forming ability.

Structural and optical properties of WTe2 single crystals synthesized by DVT technique

NASA Astrophysics Data System (ADS)

Dixit, Vijay; Vyas, Chirag; Pathak, V. M.; Soalanki, G. K.; Patel, K. D.

2018-05-01

Layered transition metal di-chalcogenide (LTMDCs) crystals have attracted much attention due to their potential in optoelectronic device applications recently due to realization of their monolayer based structures. In the present investigation we report growth of WTe2 single crystals by direct vapor transport (DVT) technique. These crystals are then characterized by energy dispersive analysis of x-rays (EDAX) to study stoichiometric composition after growth. The structural properties are studied by x-ray diffraction (XRD) and selected area electron diffraction (SAED) is used to confirm orthorhombic structure of grown WTe2 crystal. Surface morphological properties of the crystals are also studied by scanning electron microscope (SEM). The optical properties of the grown crystals are studied by UV-Visible spectroscopy which gives direct band gap of 1.44 eV for grown WTe2 single crystals.

The second peak effect and vortex pinning mechanisms in Ba(Fe,Ni)2As2 superconductors

NASA Astrophysics Data System (ADS)

Ghorbani, S. R.; Arabi, H.; Wang, X. L.

2017-09-01

Vortex pinning mechanisms have been studied systematically in BaFe1.9Ni0.1As2 single crystal as a function of temperature and magnetic field. The obtained shielding current density, Js, showed a second peak in the intermediate magnetic field range at high temperatures. The temperature dependence of the shielding current density, Js(T), was analysed within the collective pinning model at different magnetic fields. It was found that the second peak reflects the coexistence of both δl pinning, reflecting spatial variation in the mean free path (l), and δTc pinning, reflecting spatial variation in the superconducting critical temperature (Tc) at low temperature and low magnetic fields in BaFe1.9Ni0.1As2 single crystal. The results clearly show that pinning mechanism effects are strongly temperature and magnetic field dependent, and the second peak effect is more powerful at higher temperatures and magnetic fields. It was also found that the magnetic field mainly controls the pinning mechanism effect.

Electrocatalytic Oxidation of Formate by [Ni(P R 2 N R' 2 ) 2 (CH 3 CN)] 2+ Complexes

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

Galan, Brandon R.; Schöffel, Julia; Linehan, John C.

2011-08-17

New [Ni(P R 2N R` 2) 2+(CH 3CN)] 2+ complexes with R = Ph, R` = 4-MeOPh; R = Cy, R` = Ph and a mixed ligand [Ni(P R 2N R` 2)(P R`` 2N R` 2)] 2+ with R = Cy, R` = Ph, R`` = Ph have been synthesized and characterized by single crystal X-ray crystallography. These complexes are shown to be electrocatalysts for the oxidation of formate in solution to produce CO 2, protons, and electrons with rates which are first order in catalyst and in formate at formate concentrations below approximately 0.05 M. For the catalysts studied,more » maximum observed turnover frequencies vary from <1.1 s -1 to 12.5 s -1 at room temperature, which are the highest rates yet reported for formate oxidation by homogeneous catalysts. A mechanistic scheme is proposed which involves an initial nickel complex bound <1-OC(O)H followed by a rate limiting hydride transfer step. An acetate complex demonstrating the η 1-OC(O)CH 3 binding mode to nickel has also been synthesized and characterized by single crystal X-ray crystallography. The pendant amines have been demonstrated to be essential for this electrocatalytic activity as no activity toward formate was found for the similar [Ni(depe) 2][BF 4] 2+ (depe = diethylphosphinoethane) complex. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.« less

Changes in magnetic domain structure during twin boundary motion in single crystal Ni-Mn-Ga exhibiting magnetic shape memory effect

NASA Astrophysics Data System (ADS)

Kopecký, V.; Fekete, L.; Perevertov, O.; Heczko, O.

2016-05-01

The complexity of Ni-Mn-Ga single crystal originates from the interplay between ferromagnetic domain structure and ferroelastic twinned microstructure. Magnetic domain structure in the vicinity of single twin boundary was studied using magneto-optical indicator film and magnetic force microscopy technique. The single twin boundary of Type I was formed mechanically and an initial magnetization state in both variants were restored by local application of magnetic field (≈40 kA/m). The differently oriented variants exhibited either stripe or labyrinth magnetic domain pattern in agreement with the uniaxial magnetocrystalline anisotropy of the martensite. The twin boundary was then moved by compressive or tensile stress. The passage of the boundary resulted in the formation of granular or rake domains, respectively. Additionally, the specific magnetic domains pattern projected by twin boundary gradually vanished during twin boundary motion.

Effect of a High Magnetic Field on γ' Phase for Ni-Based Single Crystal Superalloy During Directional Solidification

NASA Astrophysics Data System (ADS)

Xuan, Weidong; Lan, Jian; Zhao, Dengke; Li, Chuanjun; Shang, Xingfu; Zhong, Yunbo; Li, Xi; Ren, Zhongming

2018-05-01

The effect of a high magnetic field on the γ' phase of Ni-based single crystal superalloy during directional solidification is investigated experimentally. The results clearly indicate that the magnetic field significantly reduces the γ' phase size. Further, the quenching experiment is carried out, and the results found that the length of mushy zone is obviously decreased under a high magnetic field. Based on both experimental results and nucleation mechanism, it is found that the decrease of γ' phase size should be attributed to the fact that a high magnetic field causes the increase of temperature gradient in front of solid/liquid interface and leads to the increase of undercooling of γ' phase.

Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

NASA Astrophysics Data System (ADS)

Priyadharshini, A.; Kalainathan, S.

2018-04-01

2-(4-fluorobenzylidene) malononitrile (FBM), an organic third order nonlinear (TONLO) single crystal with the dimensions of 32 × 7 × 11 mm3, has been successfully grown in acetone solution by slow evaporation technique at 35 °C. The crystal system (triclinic), space group (P-1) and crystalline purity of the titular crystal were measured by single crystal and powder X-ray diffraction, respectively. The molecular weight and the multiple functional groups of the FBM material were confirmed through the mass and FT-IR spectral analysis. UV-Vis-NIR spectral study enroles that the FBM crystal exhibits excellent transparency (83%) in the entire visible and near infra-red region with a wide bandgap 2.90 eV. The low dielectric constant (εr) value of FBM crystal is appreciable for microelectronics industry applications. Thermal stability and melting point (130.09 °C) were ascertained by TGA-DSC analysis. The laser-induced surface damage threshold (LDT) value of FBM specimen is found to be 2.14 GW/cm2, it is fairly good compared to other reported NLO crystals. The third - order nonlinear optical character of the FBM crystal was confirmed through the typical single beam Z-scan technique. All these finding authorized that the organic crystal of FBM is favorably suitable for NLO applications.

Edge cracks in nickel and aluminium single crystals: A molecular dynamics study

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

Chandra, Sagar, E-mail: sagarc@barc.gov.in; Chavan, V. M.; Patel, R. J.

A molecular dynamics study of edge cracks in Ni and Al single crystals under mode-I loading conditions is presented. Simulations are performed using embedded-atom method potentials for Ni and Al at a temperature of 0.5 K. The results reveal that Ni and Al show different fracture mechanisms. Overall failure behavior of Ni is brittle, while fracture in Al proceeds through void nucleation and coalescence with a zig-zag pattern of crack growth. The qualitative nature of results is discussed in the context of vacancy-formation energies and surface energies of the two FCC metals.

Low Leakage Superconducting Tunnel Junctions with a Single Crystal Al2O3 Barrier

DTIC Science & Technology

2016-03-30

have recently implemented Josephson junction superconducting devices into qubits [1-6]. Before a multi -qubit quantum computer is realized, however...Low-Leakage Superconducting Tunnel Junctions with a Single-Crystal Al2O3 Barrier* S Oh1,2, K Cicak1, R McDermott3, K B Cooper3, K D Osborn1, R W...growth scheme for single-crystal Al2O3 tunnel barriers. The barriers are epitaxially grown on single-crystal rhenium (Re) base electrodes that are

Structure, magnetism, and transport of single-crystalline R NiSi3 (R = Y, Gd-Tm, Lu)

NASA Astrophysics Data System (ADS)

Arantes, Fabiana R.; Aristizábal-Giraldo, Deisy; Masunaga, Sueli H.; Costa, Fanny N.; Ferreira, Fabio F.; Takabatake, Toshiro; Mendonça-Ferreira, Leticie; Ribeiro, Raquel A.; Avila, Marcos A.

2018-04-01

We report on the physical properties of the intermetallic series R NiSi3 (R =Y , Gd-Tm, Lu). High quality single crystals with platelike morphology were grown using the Sn flux method. X-ray powder diffraction data show that this series crystallizes in the orthorhombic space group Cmmm, and Laue patterns indicate that the b axis remains perpendicular to the plane of the plates. Magnetization measurements show anisotropic antiferromagnetic ground states for R = Gd-Tm with Néel temperatures ranging from TN=2.6 K (TmNiSi3) up to 32.2 K (TbNiSi3), as well as metamagnetic transitions that in some cases appear together with hysteresis (TbNiSi3,DyNiSi3, and HoNiSi3). The easy axis changes from a axis to b axis on going from R = Gd-Ho to R = Er-Tm. All transitions from antiferromagnetic to paramagnetic states are clearly marked by sharp peaks in specific heat as well as in the derivative of resistivity measurements, which show metallic temperature dependence for all compounds and residual values in the range of 1 μ Ω cm . DyNiSi3 has two close phase transitions, while HoNiSi3 presents distinct critical temperatures for applied fields in the a or c directions (10.4 and 6.3 K, respectively), pointing to possible component-specific ordering of the local magnetic moments.

Crystallization and Martensitic Transformation Behavior of Ti-Ni-Si Alloy Ribbons Prepared via Melt Spinning.

PubMed

Park, Ju-Wan; Kim, Yeon-Wook; Nam, Tae-Hyun

2018-09-01

Ti-(50-x)Ni-xSi (at%) (x = 0.5, 1.0, 3.0, 5.0) alloy ribbons were prepared via melt spinning and their crystallization procedure and transformation behavior were investigated using differential scanning calorimtry, X-ray diffraction, and transmission electron microscopy. Ti-Ni-Si alloy ribbons with Si content less than 1.0 at% were crystalline, whereas those with Si content more than 3.0 at% were amorphous. Crystallization occurred in the sequence of amorphous →B2 → B2 → Ti5Si4 + TiNi3 → B2 + Ti5Si4 + TiNi3 + TiSi in the Ti-47.0Ni-3.0Si alloy and amorphous →R → R + Ti5Si4 + TiNi3 → R + Ti5Si4 + TiNi3 + TiSi in the Ti-45.0Ni-5.0Si alloy. The activation energy for crystallization was 189 ±8.6 kJ/mol for the Ti-47Ni-3Si alloy and 212±8.6 kJ/mol for the Ti-45Ni-5Si alloy. One-stage B2-R transformation behavior was observed in Ti-49.5Ni-0.5Si, Ti-49.0Ni-1.0Si, and Ti-47.0Ni- 3.0Si alloy ribbons after heating to various temperatures in the range of 873 K to 1073 K. In the Ti-45.0Ni-5.0Si alloy, one-stage B2-R transformation occurred after heating to 893 K, two-stage B2-R-B19' occurred after heating to 973 K, and two-stage B2-R-B19' occurred on cooling and one-stage B19'-B2 occurred on heating, after heating to 1073 K.

Flux growth of high-quality CoFe 2O 4 single crystals and their characterization

NASA Astrophysics Data System (ADS)

Wang, W. H.; Ren, X.

2006-04-01

We report the growth of high-quality CoFe 2O 4 single crystals using a borax flux method. The crystals were characterized by powder X-ray diffraction, electron probe microanalysis and Raman spectroscopy. We found the crystals are flux-free and highly homogeneous in composition. X-ray rocking curves of the CoFe 2O 4 single crystals showed a full-width at half-maximum of 0.15°. The saturation magnetization of the CoFe 2O 4 single crystals was measured to be 90 emu/g or equivalently 3.65 μ B/f.u. at 5 K.

Thermoelectric properties of Bi 2Sr 2Co 2O y thin films and single crystals

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

Diao, Zhenyu; Lee, Ho Nyung; Chisholm, Matthew F.

Bi 2Sr 2Co 2O 9 exhibits a misfit-layered structure with good thermoelectric properties. We have investigated the thermoelectric properties of Bi 2Sr 2Co 2O y in both thin-film and single-crystal forms. Among thin films grown at different temperatures, we find that both the in-plane thermoelectric power (Sab) and electrical resistivity (ρab) vary in an opposite trend, i.e., Sab is high when ρab is small. This results in large power factor (S ab 2/ρab~5.5 μW/K 2 cm for the film grown at 700 °C), comparable to that for whiskers. For single crystals, the electrical resistivity shows metallic behavior in a largemore » temperature range, but has higher magnitude than that of films grown at 675 °C and 700 °C. The annealing of single crystals under Ar atmosphere leads to even higher resistivity while S ab is improved. Lastly, we discuss the thermoelectric performance of this material considering both oxygen concentration and phase purity.« less

Thermoelectric properties of Bi 2Sr 2Co 2O y thin films and single crystals

DOE PAGES

Diao, Zhenyu; Lee, Ho Nyung; Chisholm, Matthew F.; ...

2017-02-02

Bi 2Sr 2Co 2O 9 exhibits a misfit-layered structure with good thermoelectric properties. We have investigated the thermoelectric properties of Bi 2Sr 2Co 2O y in both thin-film and single-crystal forms. Among thin films grown at different temperatures, we find that both the in-plane thermoelectric power (Sab) and electrical resistivity (ρab) vary in an opposite trend, i.e., Sab is high when ρab is small. This results in large power factor (S ab 2/ρab~5.5 μW/K 2 cm for the film grown at 700 °C), comparable to that for whiskers. For single crystals, the electrical resistivity shows metallic behavior in a largemore » temperature range, but has higher magnitude than that of films grown at 675 °C and 700 °C. The annealing of single crystals under Ar atmosphere leads to even higher resistivity while S ab is improved. Lastly, we discuss the thermoelectric performance of this material considering both oxygen concentration and phase purity.« less

Very High Cycle Fatigue of Ni-Based Single-Crystal Superalloys at High Temperature

NASA Astrophysics Data System (ADS)

Cervellon, A.; Cormier, J.; Mauget, F.; Hervier, Z.; Nadot, Y.

2018-05-01

Very high cycle fatigue (VHCF) properties at high temperature of Ni-based single-crystal (SX) superalloys and of a directionally solidified (DS) superalloy have been investigated at 20 kHz and a temperature of 1000 °C. Under fully reversed conditions (R = - 1), no noticeable difference in VHCF lifetimes between all investigated alloys has been observed. Internal casting pores size is the main VHCF lifetime-controlling factor whatever the chemical composition of the alloys. Other types of microstructural defects (eutectics, carbides), if present, may act as stress concentration sites when the number of cycles exceed 109 cycles or when porosity is absent by applying a prior hot isostatic pressing treatment. For longer tests (> 30 hours), oxidation also controls the main crack initiation sites leading to a mode I crack initiation from oxidized layer. Under such conditions, alloy's resistance to oxidation has a prominent role in controlling the VHCF. When creep damage is present at high ratios (R ≥ 0.8), creep resistance of SX/DS alloys governs VHCF lifetime. Under such high mean stress conditions, SX alloys developed to retard the initiation and creep propagation of mode I micro-cracks from pores have better VHCF lifetimes.

Single crystal growth and characterization of kagomé-lattice shandites Co3Sn2-xInxS2

NASA Astrophysics Data System (ADS)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2015-09-01

Single crystals of the shandite-type half metallic ferromagnet Co3Sn2S2, and its In-substituted compounds, Co3Sn2-xInxS2 (02) were grown by a flux method. We report optimum conditions to synthesize large crystals. Single crystals of the two end members, Co3Sn2S2 and Co3In2S2, and solid solutions with low In concentrations (x≤0.35) were grown out of Sn and In self flux. Solid solution single crystals with higher In concentrations were grown out of Sn, In and Pb mixture flux. Grown crystals were characterized using the powder x-ray diffraction, wavelength-dispersive x-ray spectroscopy and magnetization measurements. The shandite structure with R3¯m symmetry was confirmed and crystal structure parameters of the obtained plate-shaped hexagonal crystals were refined using the Rietveld analysis. Magnetization measurements show suppression of the ferromagnetic ordering, observed in Co3Sn2S2, by In-substitution as reported for polycrystalline samples. The obtained crystals are useful to study anisotropy in magnetic and transport properties and further interesting magnetotransport properties of the layered compounds.

Floating zone growth of α-Na 0.90MnO 2 single crystals

DOE PAGES

Dally, Rebecca; Clement, Raphaele J.; Chisnell, Robin; ...

2016-12-03

Here, single crystal growth of α-Na xMnO 2 (x=0.90) is reported via the floating zone technique. The conditions required for stable growth and intergrowth-free crystals are described along with the results of trials under alternate growth atmospheres. Chemical and structural characterizations of the resulting α-Na 0.90MnO 2 crystals are performed using ICP-AES NMR, XANES, XPS, and neutron diffraction measurements. As a layered transition metal oxide with large ionic mobility and strong correlation effects, α-Na xMnO 2 is of interest to many communities, and the implications of large volume, high purity, single crystal growth are discussed.

Growth and characterization of LiInSe2 single crystals

NASA Astrophysics Data System (ADS)

Ma, Tianhui; Zhu, Chongqiang; Lei, Zuotao; Yang, Chunhui; Sun, Liang; Zhang, Hongchen

2015-04-01

Large and crack-free LiInSe2 single crystals were obtained by the vertical gradient freezing method with adding a temperature oscillation technology in a two-zone furnace. X-ray diffraction data showed that the pure LiInSe2 compound was synthesized. The grown crystals had different color depending on melt composition. The atomic ratios of elements of LiInSe2 crystals were obtained by an Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES), and the structural formula were calculated according to the relative contents of elements. The average absorption coefficients were estimated by using average reflection indices. The absorption coefficients of the thermal annealing samples are 0.6 cm-1 at 2-3 μm. The transparent range of our LiInSe2 crystals is from 0.6 μm to 13.5 μm.

Translation effects on vertical Bridgman growth and optical, mechanical and surface analysis of 2-phenylphenol single crystal

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

Sadhasivam, S., E-mail: sadha.phy1@gmail.com; Perumal, Rajesh Narayana

2-phenylphenol optical crystals were grown in cone ampoules using vertical Bridgman technique. Single crystal of 2-phenylphenol with 150 mm length has been grown. The inclination on the conical part of the ampoule reduces the growth defects in the 2-phenylphenol single crystal. The lattice parameters and structure studied using single crystal X-ray diffraction method. 2-phenylphenol single crystal belongs to orthorhombic space group Fdd2. The micro translation rate affects crystal growth of 2-phenylphenol crystal was studied. The translation rate dependent defects present in the crystal were investigated by transmittance, indentation and etching characterizations. The dislocation induced indentation crack lengths variations were studied. Etchmore » pits and striations observed for the selective etchants furnish significant information on growth aspects and degree of defect present in the crystal.« less

Functional Fatigue and Tension-Compression Asymmetry in [001]-Oriented Co49Ni21Ga30 High-Temperature Shape Memory Alloy Single Crystals

NASA Astrophysics Data System (ADS)

Krooß, P.; Niendorf, T.; Kadletz, P. M.; Somsen, C.; Gutmann, M. J.; Chumlyakov, Y. I.; Schmahl, W. W.; Eggeler, G.; Maier, H. J.

2015-03-01

Conventional shape memory alloys cannot be employed for applications in the elevated temperature regime due to rapid functional degradation. Co-Ni-Ga has shown the potential to be used up to temperatures of about 400 °C due to a fully reversible superelastic stress-strain response. However, available results only highlight the superelastic response for single cycle tests. So far, no data addressing cyclic loading and functional fatigue are available. In order to close this gap, the current study reports on the cyclic degradation behavior and tension-compression asymmetry in [001]-oriented Co49Ni21Ga30 single crystals at elevated temperatures. The cyclic stress-strain response of the material under displacement controlled superelastic loading conditions was found to be dictated by the number of active martensite variants and different resulting stabilization effects. Co-Ni-Ga shows a large superelastic temperature window of about 400 °C under tension and compression, but a linear Clausius-Clapeyron relationship could only be observed up to a temperature of 200 °C. In the present experiments, the samples were subjected to 1000 cycles at different temperatures. Degradation mechanisms were characterized by neutron diffraction and transmission electron microscopy. The results in this study confirm the potential of these alloys for damping applications at elevated temperatures.

[Ni III(OMe)]-mediated reductive activation of CO 2 affording a Ni(κ 1-OCO) complex

DOE PAGES

Chiou, Tzung -Wen; Tseng, Yen -Ming; Lu, Tsai -Te; ...

2016-02-24

Here, carbon dioxide is expected to be employed as an inexpensive and potential feedstock of C 1 sources for the mass production of valuable chemicals and fuel. Versatile chemical transformations of CO 2, i.e. insertion of CO 2 producing bicarbonate/acetate/formate, cleavage of CO 2 yielding μ-CO/μ-oxo transition-metal complexes, and electrocatalytic reduction of CO 2 affording CO/HCOOH/CH 3OH/CH 4/C 2H 4/oxalate were well documented. Herein, we report a novel pathway for the reductive activation of CO 2 by the [Ni III(OMe)(P(C 6H 3-3-SiMe 3-2-S) 3)] – complex, yielding the [Ni III(κ 1-OCO˙ –)(P(C 6H 3-3-SiMe 3-2-S) 3)] – complex. The formationmore » of this unusual Ni III(κ 1-OCO ˙–) complex was characterized by single-crystal X-ray diffraction, EPR, IR, SQUID, Ni/S K-edge X-ray absorption spectroscopy, and Ni valence-to-core X-ray emission spectroscopy. The inertness of the analogous complexes [Ni III(SPh)], [Ni II(CO)], and [Ni II(N 2H 4)] toward CO 2, in contrast, demonstrates that the ionic [Ni III(OMe)] core attracts the binding of weak σ-donor CO 2 and triggers the subsequent reduction of CO 2 by the nucleophilic [OMe] – in the immediate vicinity. This metal–ligand cooperative activation of CO 2 may open a novel pathway promoting the subsequent incorporation of CO 2 in the buildup of functionalized products.« less

Crystal growth velocity in deeply undercooled Ni-Si alloys

NASA Astrophysics Data System (ADS)

Lü, Y. J.

2012-02-01

The crystal growth velocity of Ni95Si5 and Ni90Si10 alloys as a function of undercooling is investigated using molecular dynamics simulations. The modified imbedded atom method potential yields the equilibrium liquidus temperatures T L ≈ 1505 and 1387 K for Ni95Si5 and Ni90Si10 alloys, respectively. From the liquidus temperatures down to the deeply undercooled region, the crystal growth velocities of both the alloys rise to the maximum with increasing undercooling and then drop slowly, whereas the athermal growth process presented in elemental Ni is not observed in Ni-Si alloys. Instead, the undercooling dependence of the growth velocity can be well-described by the diffusion-limited model, furthermore, the activation energy associated with the diffusion from melt to interface increases as the concentration increases from 5 to 10 at.% Si, resulting in the remarkable decrease of growth velocity.

Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb 2 O 6

DOE PAGES

Munsie, T. J. S.; Wilson, M. N.; Millington, A.; ...

2017-10-13

Neutron diffraction and muon spin relaxation (μSR) studies are presented in this paper for the newly characterized polymorph of NiNb 2O 6 (β-NiNb 2O 6) with space group P4 2/n and μSR data only for the previously known columbite structure polymorph with space group Pbcn. The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector →k=( 1/ 2, 1/ 2, 1/ 2). Single-crystal data confirmed the same →k vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running alongmore » the a or b axis in adjacent Ni 2+ layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb 2O 6 and NiTa 2O 6. μSR data finds a transition temperature of T N~15K for this system, while the columbite polymorph exhibits a lower T N=5.7(3) K. Our μSR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25(3) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28(3) for β-NiNb 2O 6, in agreement with the μSR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. Finally, in other words, although both systems appear to be well described by S=1 spin chains, the interchain interactions in the β polymorph are likely much larger.« less

Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb2O6

NASA Astrophysics Data System (ADS)

Munsie, T. J. S.; Wilson, M. N.; Millington, A.; Thompson, C. M.; Flacau, R.; Ding, C.; Guo, S.; Gong, Z.; Aczel, A. A.; Cao, H. B.; Williams, T. J.; Dabkowska, H. A.; Ning, F.; Greedan, J. E.; Luke, G. M.

2017-10-01

Neutron diffraction and muon spin relaxation (μ SR ) studies are presented for the newly characterized polymorph of NiNb2O6 (β -NiNb2O6) with space group P4 2/n and μ SR data only for the previously known columbite structure polymorph with space group P b c n . The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector k ⃗=(1/2 ,1/2 ,1/2 ) . Single-crystal data confirmed the same k ⃗ vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running along the a or b axis in adjacent Ni2 + layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb2O6 and NiTa2O6 . μ SR data finds a transition temperature of TN˜15 K for this system, while the columbite polymorph exhibits a lower TN=5.7 (3 ) K. Our μ SR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25 (3 ) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28 (3 ) for β -NiNb2O6 , in agreement with the μ SR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. In other words, although both systems appear to be well described by S =1 spin chains, the interchain interactions in the β polymorph are likely much larger.

Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb 2 O 6

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

Munsie, T. J. S.; Wilson, M. N.; Millington, A.

Neutron diffraction and muon spin relaxation (μSR) studies are presented in this paper for the newly characterized polymorph of NiNb 2O 6 (β-NiNb 2O 6) with space group P4 2/n and μSR data only for the previously known columbite structure polymorph with space group Pbcn. The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector →k=( 1/ 2, 1/ 2, 1/ 2). Single-crystal data confirmed the same →k vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running alongmore » the a or b axis in adjacent Ni 2+ layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb 2O 6 and NiTa 2O 6. μSR data finds a transition temperature of T N~15K for this system, while the columbite polymorph exhibits a lower T N=5.7(3) K. Our μSR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25(3) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28(3) for β-NiNb 2O 6, in agreement with the μSR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. Finally, in other words, although both systems appear to be well described by S=1 spin chains, the interchain interactions in the β polymorph are likely much larger.« less

Growth and characterization of SrI2:Eu2+ single crystal for gamma ray detector applications

NASA Astrophysics Data System (ADS)

Raja, A.; Daniel, D. Joseph; Ramasamy, P.; Singh, S. G.; Sen, S.; Gadkari, S. C.

2018-04-01

Europium activated Strontium Iodide single crystal was grown by vertical Bridgman-stockbarger technique. The melting point and freezing point of SrI2:Eu2+ crystal was analyzed by TG/DTA. The Radioluminescence emission was recorded. The scintillation measurement was carried out for the grown SrI2:Eu2+ crystal under 137Cs gamma energy source.

Hierarchical NiCo2 S4 Nanotube@NiCo2 S4 Nanosheet Arrays on Ni Foam for High-Performance Supercapacitors.

PubMed

Chen, Haichao; Chen, Si; Shao, Hongyan; Li, Chao; Fan, Meiqiang; Chen, Da; Tian, Guanglei; Shu, Kangying

2016-01-01

Hierarchical NiCo2 S4 nanotube@NiCo2 S4 nanosheet arrays on Ni foam have been successfully synthesized. Owing to the unique hierarchical structure, enhanced capacitive performance can be attained. A specific capacitance up to 4.38 F cm(-2) is attained at 5 mA cm(-2) , which is much higher than the specific capacitance values of NiCo2 O4 nanosheet arrays, NiCo2 S4 nanosheet arrays and NiCo2 S4 nanotube arrays on Ni foam. The hierarchical NiCo2 S4 nanostructure shows superior cycling stability; after 5000 cycles, the specific capacitance still maintains 3.5 F cm(-2) . In addition, through the morphology and crystal structure measurement after cycling stability test, it is found that the NiCo2 S4 electroactive materials are gradually corroded; however, the NiCo2 S4 phase can still be well-maintained. Our results show that hierarchical NiCo2 S4 nanostructures are suitable electroactive materials for high performance supercapacitors. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Benzil: 2-methyl-4-nitroaniline binary single crystals for nonlinear optical applications

NASA Astrophysics Data System (ADS)

Choi, Jaeho; Aggarwal, Mohan D.; Wang, Wen Shan; Penn, Benjamin G.; Frazier, Donald O.

1999-06-01

Benzil:MNA binary organic single crystals have been grown to overcome decomposition tendency and improve mechanical properties of 2-methyl-4-nitroaniline (MNA) which is known to be one of the best organic NLO material. Single crystals of binary system have grown using a transparent Bridgman- Stockbarger system which has fabricated to monitor the growth process. The growth conditions for the flat solid- liquid interface are optimized for the different dopant concentration of benzil. The melt in the self-sealing ampoule is maintained in liquid state without decomposition up to 2 weeks which allows us to grow 20 mm long single crystals. Hardness of 5wt% benzil:MNA is measured to be 13 Kg/mm2 which is 45% higher than benzil. The conversion efficiency of second-harmonic generation is found to be 1.5% with 4.5 mm interaction length. Since MNA is phase-matchable material, this efficiency could be comparable to commercial KDP. Surface quality of binary crystals has maintained its initial condition in air without absorption of water vapor which may be the main cause of surface degradation.

Synthesis and characterization of a novel schiff base of 1,2-diaminopropane with substituted salicyaldehyde and its transition metal complexes: Single crystal structures and biological activities

NASA Astrophysics Data System (ADS)

Tadavi, Samina K.; Yadav, Abhijit A.; Bendre, Ratnamala S.

2018-01-01

A novel schiff base H2L derived from simple condensation of 2-hydroxy-6-isopropyl-3-methyl benzaldehyde and 1,2-diaminopropane in 2:1 M ratio and its [MnL], [CoL] and [NiL]2 complexes have been prepared and characterized by spectroscopic technique, elemental analysis, SEM-EDX analysis, and cyclic voltammetry. Additionally, single crystal X-ray diffraction technique has been applied to the schiff base ligand H2L and its nickel complex. The structure of nickel complex exhibited dimeric form with formula [NiL]2 with distorted square planar geometry around each nickel center. Furthermore, all the synthesized compounds were screened for their antimicrobial and antioxidant and DNA cleavage activities.

L10-MnGa based magnetic tunnel junction for high magnetic field sensor

NASA Astrophysics Data System (ADS)

Zhao, X. P.; Lu, J.; Mao, S. W.; Yu, Z. F.; Wang, H. L.; Wang, X. L.; Wei, D. H.; Zhao, J. H.

2017-07-01

We report on the investigation of the magnetic tunnel junction structure designed for high magnetic field sensors with a perpendicularly magnetized L10-MnGa reference layer and an in-plane magnetized Fe sensing layer. A large linear tunneling magnetoresistance ratio up to 27.4% and huge dynamic range up to 5600 Oe have been observed at 300 K, with a low nonlinearity of 0.23% in the optimized magnetic tunnel junction (MTJ). The field response of tunneling magnetoresistance is discussed to explain the field sensing properties in the dynamic range. These results indicate that L10-MnGa based orthogonal MTJ is a promising candidate for a high performance magnetic field sensor with a large dynamic range, high endurance and low power consumption.

A Heterobimetallic W-Ni Complex Containing a Redox-Active W[SNS]2 Metalloligand.

PubMed

Rosenkoetter, Kyle E; Ziller, Joseph W; Heyduk, Alan F

2016-07-05

The tungsten complex W[SNS]2 ([SNS]H3 = bis(2-mercapto-4-methylphenyl)amine) was bound to a Ni(dppe) [dppe = 1,2-bis(diphenylphosphino)ethane] fragment to form the new heterobimetallic complex W[SNS]2Ni(dppe). Characterization of the complex by single-crystal X-ray diffraction revealed the presence of a short W-Ni bond, which renders the complex diamagnetic despite formal tungsten(V) and nickel(I) oxidation states. The W[SNS]2 unit acts as a redox-active metalloligand in the bimetallic complex, which displays four one-electron redox processes by cyclic voltammetry. In the presence of the organic acid 4-cyanoanilinium tetrafluoroborate, W[SNS]2Ni(dppe) catalyzes the electrochemical reduction of protons to hydrogen coincident with the first reduction of the complex.

Three NiAs-Ni 2In Type Structures in the Mn-Sn System

NASA Astrophysics Data System (ADS)

Elding-Pontén, Margareta; Stenberg, Lars; Larsson, Ann-Kristin; Lidin, Sven; Ståhl, Kenny

1997-03-01

TheB8-type structure field of the Mn-Sn system has been investigated. Two high temperature phases (HTP1 and HTP2) and one low temperature phase (Mn3Sn2) were found. They all crystallize with the NiAs structure type with part of the trigonal bipyramidal interstices filled by manganese atoms in an ordered manner. The ordering as well as the manganese content is different for the three phases, giving rise to three different orthorhombic superstructures. Mn3Sn2seems to have the lowest manganese content, since the corresponding basal unit cell is smaller than for HTP1-2. Structural models of the phases are based on selected area electron diffraction, X-ray powder diffraction, and preliminary single crystal X-ray measurements. The ideal cell parameters found are (a=7ahex,b=3ahex,c=chex), (a=5ahex,b=3ahex,c=chex), and (a=2ahex,b=3ahex,c=chex) for HTP1, HTP2, and Mn3Sn2, respectively. The crystal structure of Mn3Sn2has been refined by means of the Rietveld method from X-ray powder diffraction data. Mn3Sn2is orthorhombic,Pnma,a=7.5547(2),b=5.4994(2),c=8.5842(2) Å,Z=4. (Pbnmin the setting above.) The compound is isostructural with Ni3Sn2andγ‧-Co3Sn2(H. Fjellvåg and A. Kjekshus,Acta Chem. Scand.A40, 23-30 (1986)). FinalRp=8.97%,Rwp=11.44%, GOF=2.86, andRBragg=4.11% using 43 parameters and 5701 observations and 330 Bragg reflections.

Effects of cooling interval and MnO2, TiO2, CdO, NiO additions on spheluritic willemite crystals

NASA Astrophysics Data System (ADS)

Coşkun, Nihal Derin; Uz, Veli; Issi, Ali; Genç, Soner; Çakı, Münevver

2017-01-01

Macro crystal production in crystal glaze systems is a very important topic in ceramic art and science. In this study, crystal growth was obtained in two different firing regimes. Recipes were prepared by adding MnO, TiO, NiO and CdO into the frit. The first firing regime, which is used in artistic ceramics, has a 100 °C cooling temperature interval. The second regime that has a 580 °C cooling temperature interval, was determined by DTA analysis. Then, the development of crystals was compared between these two firing regimes. According to the results, spheluritic willemite crystals up to three cm in the glazes doped MnO2 have been obtained by cooling it in a wide cooling interval. Larger willemite crystals were not formed in the narrow cooling temperature interval. It was determined that larger crystals can be produced by cooling at wide cooling temperature intervals and holding at lower temperature which involves nucleating the temperature of the crystal.

Preparation of fine single crystals of magnetic superconductor RuSr2GdCu2O8-δ by partial melting

NASA Astrophysics Data System (ADS)

Yamaki, Kazuhiro; Bamba, Yoshihiro; Irie, Akinobu

2018-03-01

In this study, fine uniform RuSr2GdCu2O8-δ (RuGd-1212) single crystals have been successfully prepared by partial melting. Synthesis temperature could be lowered to a value not exceeding the decomposition temperature of RuGd-1212 using the Sr-Gd-Cu-O flux. The crystals grown by alumina boats are cubic, which coincides with the result of a previous study of RuGd-1212 single crystals using platinum crucibles. The single crystals were up to 15 × 15 × 15 µm3 in size and their lattice constants were consistent with those of polycrystalline samples reported previously. Although the present size of single crystals is not sufficient for measurements, the partial melting technique will be beneficial for future progress of research using RuGd-1212 single crystals. Appropriate nominal composition, sintering atmosphere, and temperature are essential factors for growing RuGd-1212 single crystals.

Magnetic Properties of Porous Metal-Organic Frameworks: Ni2(BODC)2(TED) and Ni2(BDC)2(TED)

NASA Astrophysics Data System (ADS)

Hamida, Youcef; Danilovic, Dusan; Lin, Chyan; Yuen, Tan; Li, Kunhao; Padmanabhan, Moothetty; Li, Jing

2010-03-01

Results of χ(T), M(H), and heat capacity C(T) measurements on two Ni dimer based porous materials Ni2(BODC)2(TED) and Ni2(BDC)2(TED) are reported. These materials form a tetragonal crystal structure of space group P4/ncc with a=b = 14.9 å and c = 19.4 å and Ni-Ni separation of 2.61å within the dimer. Magnetic data of Ni2(BODC)2(TED) revealed a ferromagnetic-like transition at about 17 K with θ = 8 K, and a coercivity field of 1700 G was observed in the hysteresis curve. Though isostructural to Ni2(BODC)2(TED), χ(T) and M(H) results of Ni2(BDC)2(TED) showed an antiferromagnetic transition at 10 K with θ = - 132 K, and no hysteresis was observed. Although specific heat data C(T) showed no clear transition in both compounds, nonlinear behavior is clearly seen in C/T vs. T plots, and a fit to the electron and phonon contributions to C(T) gives a large heavy-fermion-like γ in both cases. A model for the magnetic interactions is proposed and a comparison to the Cu and Co analogues is also made.

Brownmillerite Ca 2 Co 2 O 5 : Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions

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

Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.

2014-11-20

We synthesized Ca 2Co 2O 5 in the brownmillerite form using a high-pressure optical-image floating zone furnace, and single crystals with dimensions up to 1.4×0.8×0.5 mm 3 were obtained. At room temperature, Ca 2Co 2O 5 crystallizes as a fully ordered brownmillerite variant in the orthorhombic space group Pcmb (No. 57) with unit cell parameters a=5.28960(10) Å, b=14.9240(2) Å, and c=10.9547(2) Å. Furthermore, with decreasing temperature, it undergoes re-entrant sequence of first-order structural phase transitions (Pcmb→ P2/c11→ P121/m1→ Pcmb) that is unprecedented among brownmillerites, broadening the family of space groups available to these materials and challenging current approaches for sortingmore » the myriad variants of brownmillerite structures. Magnetic susceptibility data indicate antiferromagnetic ordering in Ca 2Co 2O 5 occurs near 240 K, corroborated by neutron powder diffraction. Below 140 K, Ca 2Co 2O 5 shows a weak ferromagnetic component directed primarily along the b axis, and it also exhibits thermal and magnetic history dependence in magnetization.« less

Single crystal growth of the Er2PdSi3 intermetallic compound

NASA Astrophysics Data System (ADS)

Mazilu, I.; Frontzek, M.; Löser, W.; Behr, G.; Teresiak, A.; Schultz, L.

2005-02-01

Single crystals of the Er2PdSi3 intermetallic compound melting congruently at 1648 ∘C, were grown by a floating zone method with radiation heating. The control of oxygen content was the key factor to avoid oxide precipitates, which can affect effective grain selection in the crystal growth process. Crystals grown at velocities of 5 mm/h with a preferred direction close to (1 0 0) with inclination angles of about 12 ∘ against the rod axis show very distinct facets at the rod surface. The crystals are Pd-depleted and Si-rich with respect to the nominal Er2PdSi3 stoichiometry, but exhibit inferior element segregation. Measurements on oriented single crystalline samples revealed antiferromagnetic ordering below 7 K, a magnetic easy axis parallel to the (0 0 1) axis of the AlB2-type hexagonal unit cell, and anisotropic electric properties.

Low-Threshold Lasing from 2D Homologous Organic-Inorganic Hybrid Ruddlesden-Popper Perovskite Single Crystals.

PubMed

Raghavan, Chinnambedu Murugesan; Chen, Tzu-Pei; Li, Shao-Sian; Chen, Wei-Liang; Lo, Chao-Yuan; Liao, Yu-Ming; Haider, Golam; Lin, Cheng-Chieh; Chen, Chia-Chun; Sankar, Raman; Chang, Yu-Ming; Chou, Fang-Cheng; Chen, Chun-Wei

2018-05-09

Organic-inorganic hybrid two-dimensional (2D) perovskites have recently attracted great attention in optical and optoelectronic applications due to their inherent natural quantum-well structure. We report the growth of high-quality millimeter-sized single crystals belonging to homologous two-dimensional (2D) hybrid organic-inorganic Ruddelsden-Popper perovskites (RPPs) of (BA) 2 (MA) n-1 Pb n I 3 n+1 ( n = 1, 2, and 3) by a slow evaporation at a constant-temperature (SECT) solution-growth strategy. The as-grown 2D hybrid perovskite single crystals exhibit excellent crystallinity, phase purity, and spectral uniformity. Low-threshold lasing behaviors with different emission wavelengths at room temperature have been observed from the homologous 2D hybrid RPP single crystals. Our result demonstrates that solution-growth homologous organic-inorganic hybrid 2D perovskite single crystals open up a new window as a promising candidate for optical gain media.

Crystal structures and magnetic properties of polyethylene glycol (PEG-4000) and silica-encapsulated nickel ferrite (NiFe{sub 2}O{sub 4}) nanoparticles

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

Shofiah, Siti, E-mail: esuharyadi@ugm.ac.id; Muflihatun,; Suharyadi, Edi

2016-04-19

Crystal structures and magnetic properties of polyethylene glycol (PEG-4000) and silica encapsulated nickel ferrite (NiFe{sub 2}O{sub 4}) nanoparticles comparable sizes have been studied in detail. NiFe{sub 2}O{sub 4} were prepared by co-precipitation methods. Crystalline size is 4.8 ± 0.2 nm became 1.6 ± 0.1 nm and 10.6 ± 0.3 nm after encapsulated PEG-4000 and silica, respectively. Transmission electron microscopy (TEM) showed that encapsulated PEG-4000 and silica decreased agglomeration, controlled shape of nanoparticles more spherical and dispersed. Coercivity of NiFe{sub 2}O{sub 4} was 46.2 Oe and then increased after encapsulated PEG-4000 to 47.8 Oe can be related to the multi-domains of NiFe{sub 2}O{sub 4}more » as influence the crystalline size was decreased. Meanwhile, after encapsulated silica, coercivity of NiFe{sub 2}O{sub 4} became 93 Oe as influence the crystalline size was increased at single-domains due to its strong shape anisotropy. Magnetization value decreased from 5.7 emu/g to 5.3 emu/g and 3.6 emu/g after encapsulated PEG-4000 and silica, respectively. The remanent magnetization showed decreasing when saturation magnetization decreased, and conversely. However, it also depends on presence of α-Fe{sub 2}O{sub 3} phases and their material non magnetic of encapsulating. Based on the result, The magnetic properties exhibit a strong dependence on the crystalline size as influence PEG-4000 and silica encapsulated NiFe{sub 2}O{sub 4} nanoparticles.« less

Micro pulling down growth of very thin shape memory alloys single crystals

NASA Astrophysics Data System (ADS)

López-Ferreño, I.; Juan, J. San; Breczewski, T.; López, G. A.; Nó, M. L.

Shape memory alloys (SMAs) have attracted much attention in the last decades due to their thermo-mechanical properties such as superelasticity and shape memory effect. Among the different families of SMAs, Cu-Al-Ni alloys exhibit these properties in a wide range of temperatures including the temperature range of 100-200∘C, where there is a technological demand of these functional materials, and exhibit excellent behavior at small scale making them more competitive for applications in Micro Electro-Mechanical Systems (MEMS). However, polycrystalline alloys of Cu-based SMAs are very brittle so that they show their best thermo-mechanical properties in single-crystal state. Nowadays, conventional Bridgman and Czochralski methods are being applied to elaborate single-crystal rods up to a minimum diameter of 1mm, but no works have been reported for smaller diameters. With the aim of synthesizing very thin single-crystals, the Micro-Pulling Down (μ-PD) technique has been applied, for which the capillarity and surface tension between crucible and the melt play a critical role. The μ-PD method has been successfully applied to elaborate several cylindrical shape thin single-crystals down to 200μm in diameter. Finally, the martensitic transformation, which is responsible for the shape memory properties of these alloys, has been characterized for different single-crystals. The experimental results evidence the good quality of the grown single-crystals.

Thermolysis synthesis of pure phase NiO from novel sonochemical synthesized Ni(II) nano metal-organic supramolecular architecture.

PubMed

Hanifehpour, Younes; Morsali, Ali; Mirtamizdoust, Babak; Joo, Sang Woo; Soltani, Behzad

2017-07-01

Nano-structures of a new supramolecular coordination compound of divalent nickel with the pyrazol (pzH) containing the terminal azide anions, [Ni(pzH) 2 (N 3 ) 2 ] (1), with discrete molecular architecture (DMA) in solid state was synthesized via sonochemical method. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, IR, and elemental analysis. Compound 1 was structurally characterized by single crystal X-ray diffraction and the single-crystal X-ray data shows that the coordination number of Ni (II) ions is six, (NiN 6 ), with four N-donor atoms from neutral "pzH" ligands and two N-donors from two terminal azide anions. The supramolecular features in these complexes are guided and controlled by weak directional intermolecular interactions. The structure of the title complex was optimized by density functional theory calculations. Calculated structural parameters and IR spectra for the title complex are consistent with the crystal structure. The NiO nanoparticles were obtained by thermolysis of 1 at 180°C with oleic acid as a surfactant. Copyright © 2017 Elsevier B.V. All rights reserved.

Microstructurally-sensitive fatigue crack nucleation in Ni-based single and oligo crystals

NASA Astrophysics Data System (ADS)

Chen, Bo; Jiang, Jun; Dunne, Fionn P. E.

2017-09-01

An integrated experimental, characterisation and computational crystal plasticity study of cyclic plastic beam loading has been carried out for nickel single crystal (CMSX4) and oligocrystal (MAR002) alloys in order to assess quantitatively the mechanistic drivers for fatigue crack nucleation. The experimentally validated modelling provides knowledge of key microstructural quantities (accumulated slip, stress and GND density) at experimentally observed fatigue crack nucleation sites and it is shown that while each of these quantities is potentially important in crack nucleation, none of them in its own right is sufficient to be predictive. However, the local (elastic) stored energy density, measured over a length scale determined by the density of SSDs and GNDs, has been shown to predict crack nucleation sites in the single and oligocrystals tests. In addition, once primary nucleated cracks develop and are represented in the crystal model using XFEM, the stored energy correctly identifies where secondary fatigue cracks are observed to nucleate in experiments. This (Griffith-Stroh type) quantity also correctly differentiates and explains intergranular and transgranular fatigue crack nucleation.

Rietveld refinement of the crystal structures of Rb2 XSi5O12 (X = Ni, Mn).

PubMed

Bell, Anthony M T; Henderson, C Michael B

2016-02-01

The synthetic leucite silicate framework mineral analogues Rb2 XSi5O12 {X = Ni [dirubidium nickel(II) penta-silicate] and Mn [dirubidium manganese(II) penta-silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetra-hedral SiO4 and XO4 units sharing corners to form a partially substituted silicate framework. Extraframework Rb(+) cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetra-hedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni-O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder.

Observation of short range order driven large refrigerant capacity in chemically disordered single phase compound Dy2Ni0.87Si2.95.

PubMed

Pakhira, Santanu; Mazumdar, Chandan; Choudhury, Dibyasree; Ranganathan, R; Giri, S

2018-05-16

In this work, we report the successful synthesis of a new intermetallic compound Dy2Ni0.87Si2.95 forming in single phase only with a chemically disordered structure. The random distribution of Ni/Si and crystal defects create a variation in the local electronic environment between the magnetic Dy ions. In the presence of both disorder and competing exchange interactions driven magnetic frustration, originating due to c/a ∼ 1, the compound undergoes spin freezing behaviour below 5.6 K. In the non-equilibrium state below the spin freezing behaviour, the compound exhibits aging phenomena and magnetic memory effects. In the magnetically short-range ordered region, much above the freezing temperature, an unusual occurrence of considerable magnetic entropy change, -ΔSmaxM ∼ 21 J kg-1 K-1 with large cooling power RCP ∼ 531 J kg-1 and adiabatic temperature change, ΔTad ∼ 10 K for a field change of 70 kOe, is observed for this short range ordered cluster-glass compound without any magnetic hysteresis loss.

Single Crystal Growth of URu 2Si 2 by the Modified Bridgman Technique

DOE PAGES

Gallagher, Andrew; Nelson, William L.; Chen, Kuan Wen; ...

2016-10-02

We describe a modified Bridgman growth technique to produce single crystals of the strongly correlated electron material URu 2Si 2 and its nonmagnetic analogue ThRu 2Si 2. Bulk thermodynamic and electrical transport measurements show that the properties of crystals produced in this way are comparable to those previously synthesized using the Czochralski or conventional molten metal flux growth techniques. For the specimens reported here, we find residual resistivity ratios RRR = ρ 300K / ρ 0 as large as 116 and 187 for URu 2Si 2 and ThRu 2Si 2, respectively.

Synthesis, crystal structure and spectroscopy properties of Na 3AZr(PO 4) 3 ( A=Mg, Ni) and Li 2.6Na 0.4NiZr(PO 4) 3 phosphates

NASA Astrophysics Data System (ADS)

Chakir, M.; El Jazouli, A.; de Waal, D.

2006-06-01

Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates were prepared at 750 °C by coprecipitation route. Their crystal structures have been refined at room temperature from X-ray powder diffraction data using Rietveld method. Li 2.6Na 0.4NiZr(PO 4) 3 was synthesized through ion exchange from the sodium analog. These materials belong to the Nasicon-type structure. Raman spectra of Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates present broad peaks in favor of the statistical distribution in the sites around PO 4 tetrahedra. Diffuse reflectance spectra indicate the presence of octahedrally coordinated Ni 2+ ions.

Electrocatalytic Oxidation of Formate by [Ni(P R 2N R' 2) 2(CH 3CN)] 2+ Complexes

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

Galan, Brandon R.; Schöffel, Julia; Linehan, John C.

2011-08-17

[Ni(P R 2N R' 2) 2(CH 3CN)] 2+ complexes with R = Ph, R' = 4-MeOPh or R = Cy, R' = Ph , and a mixed-ligand [Ni(P R 2N R' 2)(P R" 2N R' 2)(CH 3CN)] 2+ with R = Cy, R' = Ph, R" = Ph, have been synthesized and characterized by single-crystal X-ray crystallography. These and previously reported complexes are shown to be electrocatalysts for the oxidation of formate in solution to produce CO 2, protons, and electrons, with rates that are first-order in catalyst and formate at formate concentrations below ~0.04 M (34 equiv). At concentrationsmore » above ~0.06 M formate (52 equiv), catalytic rates become nearly independent of formate concentration. For the catalysts studied, maximum observed turnover frequencies vary from <1.1 to 15.8 s –1 at room temperature, which are the highest rates yet reported for formate oxidation by homogeneous catalysts. These catalysts are the only base-metal electrocatalysts as well as the only homogeneous electrocatalysts reported to date for the oxidation of formate. An acetate complex demonstrating an η 1-OC(O)CH 3 binding mode to nickel has also been synthesized and characterized by single-crystal X-ray crystallography. Based on this structure and the electrochemical and spectroscopic data, a mechanistic scheme for electrocatalytic formate oxidation is proposed which involves formate binding followed by a rate-limiting proton and two-electron transfer step accompanied by CO 2 liberation. Finally, the pendant amines have been demonstrated to be essential for electrocatalysis, as no activity toward formate oxidation was observed for the similar [Ni(depe) 2] 2+ (depe = 1,2-bis(diethylphosphino)ethane) complex.« less

Electrocatalytic oxidation of formate by [Ni(P(R)2N(R')2)2(CH3CN)]2+ complexes.

PubMed

Galan, Brandon R; Schöffel, Julia; Linehan, John C; Seu, Candace; Appel, Aaron M; Roberts, John A S; Helm, Monte L; Kilgore, Uriah J; Yang, Jenny Y; DuBois, Daniel L; Kubiak, Clifford P

2011-08-17

[Ni(P(R)(2)N(R')(2))(2)(CH(3)CN)](2+) complexes with R = Ph, R' = 4-MeOPh or R = Cy, R' = Ph , and a mixed-ligand [Ni(P(R)(2)N(R')(2))(P(R''(2))N(R'(2)))(CH(3)CN)](2+) with R = Cy, R' = Ph, R'' = Ph, have been synthesized and characterized by single-crystal X-ray crystallography. These and previously reported complexes are shown to be electrocatalysts for the oxidation of formate in solution to produce CO(2), protons, and electrons, with rates that are first-order in catalyst and formate at formate concentrations below ∼0.04 M (34 equiv). At concentrations above ∼0.06 M formate (52 equiv), catalytic rates become nearly independent of formate concentration. For the catalysts studied, maximum observed turnover frequencies vary from <1.1 to 15.8 s(-1) at room temperature, which are the highest rates yet reported for formate oxidation by homogeneous catalysts. These catalysts are the only base-metal electrocatalysts as well as the only homogeneous electrocatalysts reported to date for the oxidation of formate. An acetate complex demonstrating an η(1)-OC(O)CH(3) binding mode to nickel has also been synthesized and characterized by single-crystal X-ray crystallography. Based on this structure and the electrochemical and spectroscopic data, a mechanistic scheme for electrocatalytic formate oxidation is proposed which involves formate binding followed by a rate-limiting proton and two-electron transfer step accompanied by CO(2) liberation. The pendant amines have been demonstrated to be essential for electrocatalysis, as no activity toward formate oxidation was observed for the similar [Ni(depe)(2)](2+) (depe = 1,2-bis(diethylphosphino)ethane) complex.

Crystal-field analysis of U3+ ions in K2LaX5 (X=Cl, Br or I) single crystals

NASA Astrophysics Data System (ADS)

Karbowiak, M.; Edelstein, N.; Gajek, Z.; Drożdżyński, J.

1998-11-01

An analysis of low temperature absorption spectra of U3+ ions doped in K2LaX5 (X=Cl, Br or I) single crystals is reported. The energy levels of the U3+ ion in the single crystals were assigned and fitted to a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions at the Cs symmetry site. An analysis of the nephelauxetic effect and crystal-field splittings in the series of compounds is also reported.

Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

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

Estrada Rodas, Ernesto A.; Neu, Richard W.

A crystal viscoplasticity (CVP) model for the creep-fatigue interactions of nickel-base superalloy CMSX-8 is proposed. At the microstructure scale of relevance, the superalloys are a composite material comprised of a γ phase and a γ' strengthening phase with unique deformation mechanisms that are highly dependent on temperature. Considering the differences in the deformation of the individual material phases is paramount to predicting the deformation behavior of superalloys at a wide range of temperatures. In this work, we account for the relevant deformation mechanisms that take place in both material phases by utilizing two additive strain rates to model the deformationmore » on each material phase. The model is capable of representing the creep-fatigue interactions in single-crystal superalloys for realistic 3-dimensional components in an Abaqus User Material Subroutine (UMAT). Using a set of material parameters calibrated to superalloy CMSX-8, the model predicts creep-fatigue, fatigue and thermomechanical fatigue behavior of this single-crystal superalloy. In conclusion, a sensitivity study of the material parameters is done to explore the effect on the deformation due to changes in the material parameters relevant to the microstructure.« less

Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

DOE PAGES

Estrada Rodas, Ernesto A.; Neu, Richard W.

2017-09-11

A crystal viscoplasticity (CVP) model for the creep-fatigue interactions of nickel-base superalloy CMSX-8 is proposed. At the microstructure scale of relevance, the superalloys are a composite material comprised of a γ phase and a γ' strengthening phase with unique deformation mechanisms that are highly dependent on temperature. Considering the differences in the deformation of the individual material phases is paramount to predicting the deformation behavior of superalloys at a wide range of temperatures. In this work, we account for the relevant deformation mechanisms that take place in both material phases by utilizing two additive strain rates to model the deformationmore » on each material phase. The model is capable of representing the creep-fatigue interactions in single-crystal superalloys for realistic 3-dimensional components in an Abaqus User Material Subroutine (UMAT). Using a set of material parameters calibrated to superalloy CMSX-8, the model predicts creep-fatigue, fatigue and thermomechanical fatigue behavior of this single-crystal superalloy. In conclusion, a sensitivity study of the material parameters is done to explore the effect on the deformation due to changes in the material parameters relevant to the microstructure.« less

The development of new ferromagnetic shape memory alloys in Ni-Mn-Ga system

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

Chernenko, V.A.; Kokorin, V.V.; Vitenko, I.N.

1995-10-15

The Ferromagnetic Heusler alloy Ni{sub 2}MnGa is known to undergo a structural phase transformation of martensitic type. Thermoelastic nature, shape memory effect (SME) and superelasticity were sound to be intrinsic to this transformation. In this work the authors present the results of the investigation of the following problems: how M{sub s}, the thermal hysteresis, Curie temperature, transformation heat are affected by the composition variation in the Ni-Mn-Ga alloy system in a concentration interval for each component of about 10 at. %. This work was performed to make sure that the new family of Ni-Mn-Ga based shape memory alloys (SMA) withmore » a wide variety of structural and magnetic properties is actually elaborated.« less

Supramolecular complexes of Co(II), Ni(II) and Zn(II) p-hydroxybenzoates with caffeine: Synthesis, spectral characterization and crystal structure

NASA Astrophysics Data System (ADS)

Taşdemir, Erdal; Özbek, Füreya Elif; Sertçelik, Mustafa; Hökelek, Tuncer; Çelik, Raziye Çatak; Necefoğlu, Hacali

2016-09-01

Three novel complexes Co(II), Ni(II) and Zn(II) containing p-hydroxybenzoates and caffeine ligands were synthesized and characterized by elemental analysis, FT-IR and UV-vis Spectroscopy, molar conductivity and single crystal X-ray diffraction methods. The thermal properties of the synthesized complexes were investigated by TGA/DTA. The general formula of the complexes is [M(HOC6H4COO)2(H2O)4]·2(C8H10N4O2)·8H2O (where: M: Co, Ni and Zn). The IR studies showed that carboxylate groups of p-hydroxybenzoate ligands have monodentate coordination mode. The M2+ ions are octahedrally coordinated by two p-hydroxybenzoate ligands, four water molecules leading to an overall MO6 coordination environment. The medium-strength hydrogen bondings involving the uncoordinated caffeine ligands and water molecules, coordinated and uncoordinated water molecules and p-hydroxybenzoate ligands lead to three-dimensional supramolecular networks in the crystal structures.

Strength anomaly in B2 FeAl single crystals

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

Yoshimi, K.; Hanada, S.; Yoo, M.H.

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). Themore » 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.« less

One Step Synthesis of NiO Nanoparticles via Solid-State Thermal Decomposition at Low-Temperature of Novel Aqua(2,9-dimethyl-1,10-phenanthroline)NiCl2 Complex

PubMed Central

Barakat, Assem; Al-Noaimi, Mousa; Suleiman, Mohammed; Aldwayyan, Abdullah S.; Hammouti, Belkheir; Ben Hadda, Taibi; Haddad, Salim F.; Boshaala, Ahmed; Warad, Ismail

2013-01-01

[NiCl2(C14H12N2)(H2O)] complex has been synthesized from nickel chloride hexahydrate (NiCl2·6H2O) and 2,9-dimethyl-1,10-phenanthroline (dmphen) as N,N-bidentate ligand. The synthesized complex was characterized by elemental analysis, infrared (IR) spectroscopy, ultraviolet-visible (UV-vis) spectroscopy and differential thermal/thermogravimetric analysis (TG/DTA). The complex was further confirmed by single crystal X-ray diffraction (XRD) as triclinic with space group P-1. The desired complex, subjected to thermal decomposition at low temperature of 400 ºC in an open atmosphere, revealed a novel and facile synthesis of pure NiO nanoparticles with uniform spherical particle; the structure of the NiO nanoparticles product was elucidated on the basis of Fourier transform infrared (FT-IR), UV-vis spectroscopy, TG/DTA, XRD, scanning electron microscopy (SEM), energy-dispersive X-ray spectrometry (EDXS) and transmission electron microscopy (TEM). PMID:24351867

Decagonal quasicrystal and related crystalline phases in Mn-Ga alloys with 52 to 63 a/o Ga

NASA Astrophysics Data System (ADS)

Wu, J. S.; Kuo, K. H.

1997-03-01

A decagonal quasicrystal (DQC) and six related intermetallic phases with large unit cells have been found in binary Mn-Ga alloys with 52 to 63 at. pct Ga by means of transmission electron microscopy (TEM). As does the Al-Mn DQC, the Ga-Mn DQC also has a periodicity of 1.25 nm along its tenfold axis. However, its Mn content, determined by electron microprobe X-ray analysis (about 45 to 50 at. pct Mn), is much higher than that of the Al-Mn DQC (about 20 to 30 at. pct Mn). The compositions of the intermetallic phases are about 53, 56, 58, and 62 at. pct Ga, corresponding respectively to the unknown structures of MnGa (50.7 to 53.4 at. pct Ga), Mn5Ga6 (55 at pct Ga), Mn5Ga7 (57.9 at. pct Ga), and Mn3Ga5 (62.9 at. pct Ga) given in the binary Mn-Ga phase diagram ( Metals Hand-book, T.B. Massalski, J.L. Murray, L.H. Benneft, and H. Baker, eds., ASM, Metals Park, OH, 1986, vol. 2, p. 1144). Their lattice types have been determined by selected area electron diffraction. The ferromagnetic Mn3Ga5 is tetragonal, a=1.25 nm and c=2.50 nm; Mn5Ga7 is orthorhombic, a=4.57 nm, b=1.25 nm, and c=1.44 nm; Mn5Ga6 has two different but closely related orthorhombic unit cells, a=1.26 nm, b=1.25 nm, and c=1.48 nm as well as a=0.77 nm, b=1.25 nm, and c=2.36 nm; MnGa also has two different and related unit cells, one orthorhombic with a=2.04 nm, b=1.25 nm, and c=1.48 nm and the other monoclinic with a=2.59 nm, b=1.25 nm, c=1.15 nm, and β≈=110 deg. All these orthorhombic phases have b=1.25 nm, being the same as the periodicity along the tenfold axis of the Ga-Mn and Al-Mn DQCs. Moreover, all these six intermetallic phases give electron diffraction patterns displaying a pseudo-tenfold distribution of strong diffraction spots and are considered to be crystalline approximants of the Ga-Mn DQC.

Evolution of structure and superconductivity in Ba(Ni 1 -xCox)2As2

NASA Astrophysics Data System (ADS)

Eckberg, Chris; Wang, Limin; Hodovanets, Halyna; Kim, Hyunsoo; Campbell, Daniel J.; Zavalij, Peter; Piccoli, Philip; Paglione, Johnpierre

2018-06-01

The effects of Co substitution on Ba (Ni1-xCox) 2As2 (0 ≤x ≤0.251 ) single crystals grown out of Pb flux are investigated via transport, magnetic, and thermodynamic measurements. BaNi2As2 exhibits a first-order tetragonal to triclinic structural phase transition at Ts=137 K upon cooling, and enters a superconducting phase below Tc=0.7 K. The structural phase transition is sensitive to cobalt content and is suppressed completely by x ≥0.133 . The superconducting critical temperature, Tc, increases continuously with x , reaching a maximum of Tc=2.3 K at x =0.083 and then decreases monotonically until superconductivity is no longer observable well into the tetragonal phase. In contrast to similar BaNi2As2 substitutional studies, which show an abrupt change in Tc at the triclinic-tetragonal boundary that extends far into the tetragonal phase, Ba (Ni1-xCox) 2As2 exhibits a domelike phase diagram centered around the zero-temperature tetragonal-triclinic boundary. Together with an anomalously large heat capacity jump Δ Ce/γ T ˜2.2 near optimal doping, the smooth evolution of Tc in the Ba (Ni1-xCox) 2As2 system suggests a mechanism for pairing enhancement other than phonon softening.

Electronic structure and magnetic properties of the strong-rung spin-1 ladder compound Rb3Ni2(NO3)7

NASA Astrophysics Data System (ADS)

Pchelkina, Z. V.; Mazurenko, V. V.; Volkova, O. S.; Deeva, E. B.; Morozov, I. V.; Shutov, V. V.; Troyanov, S. I.; Werner, J.; Koo, C.; Klingeler, R.; Vasiliev, A. N.

2018-04-01

Rb3Ni2(NO3)7 was obtained by crystallization from anhydrous nitric acid solution of rubidium nitrate and nickel nitrate hexahydrate. The crystal structure determined on single crystals implies isolated spin-1 two-leg ladders of Ni2 + ions connected by (NO3)- groups as basic elements. Magnetic susceptibility, specific heat in magnetic fields up to 9 T, magnetization, and high-frequency electron spin resonance studies performed on powder samples show the absence of long-range magnetic order at T ≥2 K. Electronic structure calculations and the detailed analysis of the experimental data enable quantitative estimates of the relevant parameters of the S =1 ladders in Rb3Ni2(NO3)7 . The rung coupling J1=10.16 K, the leg coupling J2=1.5 K, and the Ising-type anisotropy |A |=8.6 K are obtained. The scenario of a valence-bond solidlike quantum ground state realized in the two-leg Ni2 + ladders is further corroborated by model simulations of the magnetic susceptibility.

Single Crystal Membranes

NASA Technical Reports Server (NTRS)

Stormont, R. W.; Morrison, A.

1974-01-01

Single crystal a- and c-axis tubes and ribbons of sodium beta-alumina and sodium magnesium beta-alumina were grown from sodium oxide rich melts. Additional experiments grew ribbon crystals containing sodium magnesium beta, beta double prime, beta triple prime, and beta quadruple prime. A high pressure crystal growth chamber, sodium oxide rich melts, and iridium for all surfaces in contact with the melt were combined with the edge-defined, film-fed growth technique to grow the single crystal beta-alumina tubes and ribbons. The crystals were characterized using metallographic and X-ray diffraction techniques, and wet chemical analysis was used to determine the sodium, magnesium, and aluminum content of the grown crystals.

Electronic structure and magneto-optical Kerr effect spectra of ferromagnetic shape-memory Ni-Mn-Ga alloys: Experiment and density functional theory calculations

NASA Astrophysics Data System (ADS)

Uba, S.; Bonda, A.; Uba, L.; Bekenov, L. V.; Antonov, V. N.; Ernst, A.

2016-08-01

In this joint experimental and ab initio study, we focused on the influence of the chemical composition and martensite phase transition on the electronic, magnetic, optical, and magneto-optical properties of the ferromagnetic shape-memory Ni-Mn-Ga alloys. The polar magneto-optical Kerr effect (MOKE) spectra for the polycrystalline sample of the Ni-Mn-Ga alloy of Ni60Mn13Ga27 composition were measured by means of the polarization modulation method over the photon energy range 0.8 ≤h ν ≤5.8 eV in magnetic field up to 1.5 T. The optical properties (refractive index n and extinction coefficient k ) were measured directly by spectroscopic ellipsometry using the rotating analyzer method. To complement experiments, extensive first-principles calculations were made with two different first-principles approaches combining the advantages of a multiple scattering Green function method and a spin-polarized fully relativistic linear-muffin-tin-orbital method. The electronic, magnetic, and MO properties of Ni-Mn-Ga Heusler alloys were investigated for the cubic austenitic and modulated 7M-like incommensurate martensitic phases in the stoichiometric and off-stoichiometric compositions. The optical and MOKE properties of Ni-Mn-Ga systems are very sensitive to the deviation from the stoichiometry. It was shown that the ab initio calculations reproduce well experimental spectra and allow us to explain the microscopic origin of the Ni2MnGa optical and magneto-optical response in terms of interband transitions. The band-by-band decomposition of the Ni2MnGa MOKE spectra is presented and the interband transitions responsible for the prominent structures in the spectra are identified.

Redetermination of the crystal structure of the 2D heterometallic framework prepared from [Ni(cyclam)]2+ and [Re(CN)7]3-

NASA Astrophysics Data System (ADS)

Sukhikh, Taisiya S.; Vostrikova, Kira E.

2018-02-01

A new XRD experiment and crystal structure refinement was performed for the earlier published compound in the paper "Heterobimetallic coordination polymers involving 3d metal complexes and heavier transition metals cyanometallates" by Peresypkina et al. (2015) [1]. A choice of a crystal cell taking in consideration the superstructural reflections allowed to obtain more reliable data about the symmetry and bond distances in the heterometallic 2D framework {[Ni(cyclam)]2[ReO(OH)0.5(MeOH)0.5(CN)4]}2.5+. Additionally, doubling of the parameter c permitted to get more details about interlayer space. As a result, disordered perchlorate anions and solvate molecules were located.

Single crystal diamond membranes for nanoelectronics.

PubMed

Bray, Kerem; Kato, Hiromitsu; Previdi, Rodolfo; Sandstrom, Russell; Ganesan, Kumaravelu; Ogura, Masahiko; Makino, Toshiharu; Yamasaki, Satoshi; Magyar, Andrew P; Toth, Milos; Aharonovich, Igor

2018-02-22

Single crystal, nanoscale diamond membranes are highly sought after for a variety of applications including nanophotonics, nanoelectronics and quantum information science. However, so far, the availability of conductive diamond membranes has remained an unreachable goal. In this work we present a complete nanofabrication methodology for engineering high aspect ratio, electrically active single crystal diamond membranes. The membranes have large lateral directions, exceeding ∼500 × 500 μm 2 and are only several hundreds of nanometers thick. We further realize vertical single crystal p-n junctions made from the diamond membranes that exhibit onset voltages of ∼10 V and a current of several mA. Moreover, we deterministically introduce optically active color centers into the membranes, and demonstrate for the first time a single crystal nanoscale diamond LED. The robust and scalable approach to engineer the electrically active single crystal diamond membranes offers new pathways for advanced nanophotonic, nanoelectronic and optomechanical devices employing diamond.

Gradient complex protective coatings for single-crystal turbine blades of high-heat gas turbine engines

NASA Astrophysics Data System (ADS)

Kuznetsov, V. P.; Lesnikov, V. P.; Muboyadzhyan, S. A.; Repina, O. V.

2007-05-01

Complex diffusion-condensation protective coatings characterized by gradient distribution of alloying elements over the thickness due to formation of a diffusion barrier layer on the surface of blades followed by deposition of condensation alloyed layers based on the Ni-Co-Cr-Al-Y system and an external layer based on a NiAl alloyed β-phase and a ZrO2: Y2O3 ceramics are presented. A complex gradient coating possessing unique protective properties at t = 1100-1200°C for single-crystal blades from alloy ZhS36VI for advanced gas turbine engines with gas temperature of 1550°C at the inlet to the turbine is described.

EPR study of a gamma-irradiated (2-hydroxyethyl)triphenylphosphonium chloride single crystal

NASA Astrophysics Data System (ADS)

Karakaş, E.; Türkkan, E.; Dereli, Ö.; Sayιn, Ü.; Tapramaz, R.

2011-12-01

In this study, gamma-irradiated single crystals of (2-hydroxyethyl)triphenylphosphonium chloride [CH2CH2OH P(C6H5)3Cl] were investigated with electron paramagnetic resonance (EPR) spectroscopy at room temperature for different orientations in the magnetic field. The single crystals were irradiated with a 60Co-γ-ray source at 0.818 kGy/h for about 36 h. Taking the chemical structure and the experimental spectra of the irradiated single crystal of the title compound into consideration, a paramagnetic species was produced with the unpaired electron delocalized around 31P and several 1H nuclei. The anisotropic hyperfine values due to the 31P nucleus, slightly anisotropic hyperfine values due to the 1H nuclei and the g-tensor of the radical were measured from the spectra. Depending on the molecular structure and measured parameters, three possible radicals were modeled using the B3LYP/6-31+G(d) level of density-functional theory, and EPR parameters were calculated for modeled radicals using the B3LYP/TZVP method/basis set combination. The calculated hyperfine coupling constants were found to be in good agreement with the observed EPR parameters. The experimental and theoretically simulated spectra for each of the three crystallographic axes were well matched with one of the modeled radicals (discussed in the text). We thus identified the radical C˙H2CH2 P(C 6H5)3 Cl as a paramagnetic species produced in a single crystal of the title compound in two magnetically distinct sites. The experimental g-factor and hyperfine coupling constants of the radical were found to be anisotropic, with the isotropic values g iso = 2.0032, ? G, ? G, ? G and ? G for site 1 and g iso=2.0031, ? G, ? G ? G and ? G for site 2.

Electrochemical Growth of Single-Crystal Metal Nanowires via a Two-Dimensional Nucleation and Growth Mechanism.

PubMed

Tian, Mingliang; Wang, Jinguo; Kurtz, James; Mallouk, Thomas E; Chan, M H W

2003-07-01

Metallic nanowires (Au, Ag, Cu, Ni, Co, and Rh) with an average diameter of 40 nm and a length of 3-5 μm have been fabricated by electrodeposition in the pores of track-etched polycarbonate membranes. Structural characterizations by transmission electron microscopy (TEM) and electron diffraction showed that nanowires of Au, Ag, and Cu are single-crystalline with a preferred [111] orientation, whereas Ni, Co, and Rh wires are polycrystalline. Possible mechanisms responsible for nucleation and growth for single-crystal noble metals versus polycrystalline group VIII-B metals are discussed.

Microstructural evolution of single Ni 2TiAl or hierarchical NiAl/Ni 2 TiAl precipitates in Fe-Ni-Al-Cr-Ti ferritic alloys during thermal treatment for elevated-temperature applications

DOE PAGES

Song, Gian; Sun, Zhiqian; Poplawsky, Jonathan D.; ...

2017-01-07

Precipitate features, such as the size, morphology, and distribution, are important parameters determining the mechanical properties of semi- or fully-coherent precipitatehardened alloys at elevated temperatures. In this study, the microstructural formation and evolution of recently-developed Fe-Ni-Al-Cr-Ti alloys with superior creep resistance have been systematically investigated using transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), and atom-probe tomography (APT). These alloys were designed by adding 2 or 4 weight percent (wt. %) Ti into a NiAl-hardened ferritic alloy with a nominal composition of Fe-6.5Al-10Cr-10Ni-3.4Mo-0.25Zr-0.005B in wt. %. These alloys were, then, subjected to a homogenization treatment at 1,473 K for 0.5 hour, followedmore » by aging treatments at 973 K for 1 ~ 500 hours. In the homogenization-treated case, both alloys contain a primary L21-type Ni 2TiAl precipitate, but with the distinct size and morphology of the precipitates and precipitate/matrix interface structures. In the subsequent aging treatments, the 2 wt. % Ti alloy establishes a hierarchical-precipitate structure consisting of a fine network of a B2-type NiAl phase within the parent L2 1-type Ni2TiAl precipitate, while the 4 wt. % Ti alloy retains the single Ni 2TiAl precipitate. It was found that the hierarchical structure is more effective in remaining the coherent interface during the growth/coarsening of the precipitate. The formation of the different types of the precipitates, and their effects on the microstructural evolution are discussed, and the driving forces for these features are identified from the competition between the interface energy and elastic interactions due to the lattice misfit and misfit dislocations.« less

Microstructural evolution of single Ni 2TiAl or hierarchical NiAl/Ni 2 TiAl precipitates in Fe-Ni-Al-Cr-Ti ferritic alloys during thermal treatment for elevated-temperature applications

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

Song, Gian; Sun, Zhiqian; Poplawsky, Jonathan D.

Precipitate features, such as the size, morphology, and distribution, are important parameters determining the mechanical properties of semi- or fully-coherent precipitatehardened alloys at elevated temperatures. In this study, the microstructural formation and evolution of recently-developed Fe-Ni-Al-Cr-Ti alloys with superior creep resistance have been systematically investigated using transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), and atom-probe tomography (APT). These alloys were designed by adding 2 or 4 weight percent (wt. %) Ti into a NiAl-hardened ferritic alloy with a nominal composition of Fe-6.5Al-10Cr-10Ni-3.4Mo-0.25Zr-0.005B in wt. %. These alloys were, then, subjected to a homogenization treatment at 1,473 K for 0.5 hour, followedmore » by aging treatments at 973 K for 1 ~ 500 hours. In the homogenization-treated case, both alloys contain a primary L21-type Ni 2TiAl precipitate, but with the distinct size and morphology of the precipitates and precipitate/matrix interface structures. In the subsequent aging treatments, the 2 wt. % Ti alloy establishes a hierarchical-precipitate structure consisting of a fine network of a B2-type NiAl phase within the parent L2 1-type Ni2TiAl precipitate, while the 4 wt. % Ti alloy retains the single Ni 2TiAl precipitate. It was found that the hierarchical structure is more effective in remaining the coherent interface during the growth/coarsening of the precipitate. The formation of the different types of the precipitates, and their effects on the microstructural evolution are discussed, and the driving forces for these features are identified from the competition between the interface energy and elastic interactions due to the lattice misfit and misfit dislocations.« less

Synthesis and crystal structures of nitratocobaltates Na2[Co(NO3)4], K2[Co(NO3)4], and Ag[Co(NO3)3] and potassium nitratonickelate K2[Ni(NO3)4

NASA Astrophysics Data System (ADS)

Morozov, I. V.; Fedorova, A. A.; Albov, D. V.; Kuznetsova, N. R.; Romanov, I. A.; Rybakov, V. B.; Troyanov, S. I.

2008-03-01

The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na2[Co(NO3)4] ( I) and K2[Co(NO3)4] ( II)] and a chain structure [Ag[Co(NO3)3] ( III) and K2[Ni(NO3)4] ( IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO3)4]2- of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO3)4]2- of the crystal structure of compound II, one of the four NO3 groups is monodentate and the other NO3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO3)2(NO3)2/2]- and [Ni(NO3)3(NO3)2/2]2-, respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized.

Valence-band and core-level photoemission study of single-crystal Bi2CaSr2Cu2O8 superconductors

NASA Astrophysics Data System (ADS)

Shen, Z.-X.; Lindberg, P. A. P.; Wells, B. O.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1988-12-01

High-quality single crystals of Bi2CaSr2Cu2O8 superconductors have been prepared and cleaved in ultrahigh vacuum. Low-energy electron diffraction measurements show that the surface structure is consistent with the bulk crystal structure. Ultraviolet photoemission and x-ray photoemission experiments were performed on these well-characterized sample surfaces. The valence-band and the core-level spectra obtained from the single-crystal surfaces are in agreement with spectra recorded from polycrystalline samples, justifying earlier results from polycrystalline samples. Cu satellites are observed both in the valence band and Cu 2p core level, signaling the strong correlation among the Cu 3d electrons. The O 1s core-level data exhibit a sharp, single peak at 529-eV binding energy without any clear satellite structures.

Synthesis, crystal structure and magnetic properties of superconducting single crystals of HgBa2CuO4+δ

NASA Astrophysics Data System (ADS)

Bertinotti, A.; Viallet, V.; Colson, D.; Marucco, J.-F.; Hammann, J.; Forget, A.; Le Bras, G.

1996-02-01

Single crystals of HgBa2CuO4+δ of submillimetric sizes were grown with the same one step, low pressure, gold amalgamation technique used to obtain single crystals of HgBa2Ca2Cu3O8+δ. Remarkable superconducting properties are displayed by the samples which are optimally doped as grown. The sharpness of the transition profiles of the magnetic susceptibility, its anisotropy dependence and the volume fraction exhibiting the Meissner effect exceed the values obtained with the best crystal samples of Hg-1223. X-rays show that no substitutional defects have been found in the mercury plane, in particular no mixed occupancy of copper at the mercury site. The interstitial oxygen content at (1/2, 1/2, 0) δ = 0.066+/-0.008 is about one third that observed in optimally doped Hg-1223, resulting in an identical doping level per CuO2 plane in both compounds.

Facile in situ synthesis of hierarchical porous Ni/Ni(OH)₂ hybrid sponges with excellent electrochemical energy-storage performances for supercapacitors.

PubMed

Wang, Wanren; Wang, Wenhua; Wang, Mengjiao; Guo, Xiaohui

2014-09-01

Herein, we report the in situ growth of single-crystalline Ni(OH)2 nanoflakes on a Ni support by using facile hydrothermal processes. The as-prepared Ni/Ni(OH)2 sponges were well-characterized by using X-ray diffraction (XRD), SEM, TEM, and X-ray photoelectron spectroscopy (XPS) techniques. The results revealed that the nickel-skeleton-supported Ni(OH)2 rope-like aggregates were composed of numerous intercrossed single-crystal Ni(OH)2 flake-like units. The Ni/Ni(OH)2 hybrid sponges served as electrodes and displayed ultrahigh specific capacitance (SC=3247 F g(-1)) and excellent rate-capability performance, likely owing to fast electron and ion transport, sufficient Faradic redox reaction, and robust structural integrity of the Ni/Ni(OH)2 hybrid electrode. These results support the promising application of Ni(OH)2 nanoflakes as advanced pseudocapacitor materials. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Methanethiol chemistry on TiO 2-supported Ni clusters

NASA Astrophysics Data System (ADS)

Ozturk, O.; Park, J. B.; Black, T. J.; Rodriguez, J. A.; Hrbek, J.; Chen, D. A.

2008-10-01

The thermal decomposition of methanethiol on Ni clusters grown on TiO 2(1 1 0) was studied by temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS) and low energy ion scattering (LEIS). On all of the Ni surfaces investigated, methane and hydrogen were observed as gaseous products in the TPD experiments, and the only sulfur-containing species that desorbed from the surface was methanethiol itself at low temperatures. The two pathways for methanethiol reaction were hydrodesulfurization to produce methane and nonselective decomposition, which leaves atomic carbon and sulfur on the surface. From high resolution XPS studies, methyl thiolate was identified as the surface intermediate for reaction on TiO 2 and on all of the Ni surfaces investigated, similar to what is observed on single-crystal Ni surfaces. However, the binding sites for methyl thiolate on the 1 ML (monolayer) Ni clusters were different from those on the Ni clusters at coverages of 2.5 ML and higher, based on the S(2p) binding energies for methyl thiolate. No distinct changes in activity or selectivity were observed for the smaller Ni clusters grown at low coverage compared to the more film-like Ni surfaces other than what could be accounted for by changes in total surface area. Interactions between the Ni clusters and the TiO 2 support had two main effects on chemical activity. First, carbon was oxidized by oxygen from the TiO 2 lattice to produce CO at temperatures above 800 K. Second, annealing induced encapsulation of the Ni clusters by reduced TiO x and chemisorbed oxygen. At 800 K, the Ni clusters were totally encapsulated, resulting in a complete loss of methanethiol activity; partial encapsulation at 700 K caused a smaller decrease in activity accompanied by increased oxidation of carbon by lattice oxygen.

Experimental demonstration of single electron transistors featuring SiO{sub 2} plasma-enhanced atomic layer deposition in Ni-SiO{sub 2}-Ni tunnel junctions

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

Karbasian, Golnaz, E-mail: Golnaz.Karbasian.1@nd.edu; McConnell, Michael S.; Orlov, Alexei O.

The authors report the use of plasma-enhanced atomic layer deposition (PEALD) to fabricate single-electron transistors (SETs) featuring ultrathin (≈1 nm) tunnel-transparent SiO{sub 2} in Ni-SiO{sub 2}-Ni tunnel junctions. They show that, as a result of the O{sub 2} plasma steps in PEALD of SiO{sub 2}, the top surface of the underlying Ni electrode is oxidized. Additionally, the bottom surface of the upper Ni layer is also oxidized where it is in contact with the deposited SiO{sub 2}, most likely as a result of oxygen-containing species on the surface of the SiO{sub 2}. Due to the presence of these surface parasitic layersmore » of NiO, which exhibit features typical of thermally activated transport, the resistance of Ni-SiO{sub 2}-Ni tunnel junctions is drastically increased. Moreover, the transport mechanism is changed from quantum tunneling through the dielectric barrier to one consistent with thermally activated resistors in series with tunnel junctions. The reduction of NiO to Ni is therefore required to restore the metal-insulator-metal (MIM) structure of the junctions. Rapid thermal annealing in a forming gas ambient at elevated temperatures is presented as a technique to reduce both parasitic oxide layers. This method is of great interest for devices that rely on MIM tunnel junctions with ultrathin barriers. Using this technique, the authors successfully fabricated MIM SETs with minimal trace of parasitic NiO component. They demonstrate that the properties of the tunnel barrier in nanoscale tunnel junctions (with <10{sup −15} m{sup 2} in area) can be evaluated by electrical characterization of SETs.« less

Effect of Fe and Co substitution on the martensitic stability and the elastic, electronic, and magnetic properties of Mn2NiGa : Insights from ab initio calculations

NASA Astrophysics Data System (ADS)

Kundu, Ashis; Ghosh, Sheuly; Ghosh, Subhradip

2017-11-01

We investigate the effects of Fe and Co substitutions on the phase stability of the martensitic phase and mechanical, electronic, and magnetic properties of the magnetic shape memory system Mn2NiGa by first-principles density functional theory calculations. The evolution of these aspects upon substitution of Fe and Co at different crystallographic sites is investigated by computing the electronic structure, mechanical properties (tetragonal shear constant, Pugh ratio, and Cauchy pressure), and magnetic exchange parameters. We find that the austenite phase of Mn2NiGa gradually stabilizes with increase in concentration of Fe/Co due to the weakening of the minority spin hybridization of Ni and Mn atoms occupying crystallographically equivalent sites. The interplay between relative structural stability and the compositional changes is understood from the variations in the elastic moduli and electronic structures. We find that like in the Ni2MnGa -based systems, the elastic shear modulus C' can be considered as a predictor of composition dependence of martensitic transformation temperature Tm in substituted Mn2NiGa , thus singling it out as the universally acceptable predictor for martensitic transformation in Ni-Mn-Ga compounds over a wide composition range. The magnetic properties of Mn2NiGa are found to be greatly improved by the substitutions due to stronger ferromagnetic interactions in the compounds. The gradually weaker (stronger) Jahn-Teller distortion (covalent bonding) in the minority spin densities of states due to substitutions leads to a half-metallic-like gap in these compounds resulting in materials with high spin polarization when the substitutions are complete. The substitutions at the Ga site result in the two compounds Mn2NiFe and Mn2NiCo with very high magnetic moments and Curie temperatures. Thus, our work indicates that although the substitutions destroy the martensitic transformation and thus the possibility of realization of shape memory

Effect of Surface Preparation on the 815°C Oxidation of Single-Crystal Nickel-Based Superalloys

NASA Astrophysics Data System (ADS)

Sudbrack, Chantal K.; Beckett, Devon L.; MacKay, Rebecca A.

2015-11-01

A primary application for single-crystal superalloys has been jet engine turbine blades, where operation temperatures reach well above 1000°C. The NASA Glenn Research Center is considering use of single-crystal alloys for future, lower temperature application in the rims of jet engine turbine disks. Mechanical and environmental properties required for potential disk rim operation at 815°C are being examined, including the oxidation and corrosion behavior, where there is little documentation at intermediate temperatures. In this study, single-crystal superalloys, LDS-1101+Hf and CMSX-4+Y, were prepared with different surface finishes and compared after isothermal and cyclic oxidation exposures. Surface finish has a clear effect on oxide formation at 815°C. Machined low-stress ground surfaces after exposure for 440 h produce thin Al2O3 external scales, which is consistent with higher temperature oxidation, whereas polished surfaces with a mirror finish yield much thicker NiO external scales with subscale of Cr2O3-spinel-Al2O3, which may offer less reliable oxidation resistance. Additional experiments separate the roles of cold-work, localized deformation, and the extent of polishing and surface roughness on oxide formation.

Single chamber microbial fuel cell with Ni-Co cathode

NASA Astrophysics Data System (ADS)

Włodarczyk, Barbara; Włodarczyk, Paweł P.; Kalinichenko, Antonina

2017-10-01

The possibility of wastewater treatment and the parallel energy production using the Ni-Co alloy as cathode catalyst for single chamber microbial fuel cells is presented in this research. The research included a preparation of catalyst and comparison of COD, NH4+ and NO3- reduction in the reactor without aeration, with aeration and with using a single chamber microbial fuel cell with Ni-Co cathode. The reduction time for COD with the use of microbial fuel cell with the Ni-Co catalyst is similar to the reduction time with aeration. The current density (2.4 A·m-2) and amount of energy (0.48 Wh) obtained in MFC is low, but the obtained amount of energy allows elimination of the energy needed for reactor aeration. It has been shown that the Ni-Co can be used as cathode catalyst in single chamber microbial fuel cells.

Studies on 2-amino-5-nitropyridinium nitrate (2A5NPN): A semi-organic third order nonlinear optical single crystal

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

Sivasubramani, V.; Pandian, Muthu Senthil, E-mail: senthilpandianm@ssn.edu.in; Ramasamy, P.

2016-05-23

2-amino-5-nitropyridinium nitrate (2A5NPN) is a semi-organic nonlinear optical crystal and optically good quality 2A5NPN single crystals were successfully grown by slow evaporation solution growth technique (SEST) at ambient temperature. The crystallographic structure of the grown crystal was determined by single crystal X-Ray diffraction analysis and it belongs to Monoclinic crystal system with centro symmetric crystalline nature. The crystallinity of the grown crystal was confirmed by powder X-ray diffraction analysis. The other physical properties of grown crystals are also characterized using TG-DTA, UV-Visible NIR, chemical etching, photoconductivity and Z-scan measurements. The Z-scan method reveals that the 2A5NPN crystal possesses multi photonmore » absorption behaviour and the significantly higher third order susceptibility and it is a promising potential NLO material.« less

Growth of 1.5-In Eu : SrI2 Single Crystal and Scintillation Properties

NASA Astrophysics Data System (ADS)

Yokota, Yuui; Ito, Tomoki; Yasuhiro, Shoji; Kurosawa, Shunsuke; Ohashi, Yuji; Kamada, Kei; Yoshikawa, Akira

2016-04-01

We grew 1.5-in Eu doped SrI2 (Eu : SrI2) bulk single crystal by a modified vertical Bridgman (VB) method using a removable chamber and high-frequency induction heating. Asgrown 1.5-in Eu : SrI2 bulk single crystal had no visible crack and inclusion in the crystal. In the transmittance and α-ray radioluminescence spectra, large absorption below 433 nm and emission peak at 433 nm were observed, respectively. Each polished Eu : SrI2 specimen indicated 56 000 62 000 ph/MeV light yield and 3.3 3.9% energy resolution. The decay times of the specimens were 0.61 0.67 μs.

Antiferromagnetism in semiconducting SrMn2Sb2 and BaMn2Sb2 single crystals

NASA Astrophysics Data System (ADS)

Sangeetha, N. S.; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

2018-01-01

Crystals of SrMn2Sb2 and BaMn2Sb2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ , heat capacity Cp, and magnetic susceptibility χ measurements versus temperature T , and magnetization versus field M (H ) isotherm measurements. SrMn2Sb2 adopts the trigonal CaAl2Si2 -type structure, whereas BaMn2Sb2 crystallizes in the tetragonal ThCr2Si2 -type structure. The ρ (T ) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn2Sb2 and 0.16 eV for BaMn2Sb2 . The χ (T ) and Cp(T ) data reveal antiferromagnetic (AFM) ordering at TN = 110 K for SrMn2Sb2 and 450 K for BaMn2Sb2 . The anisotropic χ (T ≤TN) data also show that the ordered moments in SrMn2Sb2 are aligned in the hexagonal a b plane, whereas the ordered moments in BaMn2Sb2 are aligned collinearly along the tetragonal c axis. The a b -plane M (H ) data for SrMn2Sb2 exhibit a continuous metamagnetic transition at low fields 0 2Sb2 exhibits no metamagnetic transitions up to 5.5 T. The χ (T ) and C p(T ) data for both SrMn2Sb2 and BaMn2Sb2 indicate strong dynamic short-range AFM correlations above their respective TN up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl2Si2 and ThCr2Si2 crystal structures show that the TN values for the CaAl2Si2 -type compounds are much smaller than those for the ThCr2Si2 -type materials.

Antiferromagnetism in semiconducting SrMn 2 Sb 2 and BaMn 2 Sb 2 single crystals

DOE PAGES

Sangeetha, N. S.; Smetana, V.; Mudring, A. -V.; ...

2018-01-03

Here, crystals of SrMn 2Sb 2 and BaMn 2Sb 2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ, heat capacity C p, and magnetic susceptibility χ measurements versus temperature T, and magnetization versus field M(H) isotherm measurements. SrMn 2Sb 2 adopts the trigonal CaAl 2Si 2-type structure, whereas BaMn 2Sb 2 crystallizes in the tetragonal ThCr 2Si 2-type structure. The ρ(T) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn 2Sb 2 and 0.16 eV for BaMn 2Sb 2. The χ(T) andmore » C p(T) data reveal antiferromagnetic (AFM) ordering at T N = 110 K for SrMn 2Sb 2 and 450 K for BaMn 2Sb 2. The anisotropic χ(T≤T N) data also show that the ordered moments in SrMn 2Sb 2 are aligned in the hexagonal ab plane, whereas the ordered moments in BaMn 2Sb 2 are aligned collinearly along the tetragonal c axis. The ab-plane M(H) data for SrMn 2Sb 2 exhibit a continuous metamagnetic transition at low fields 02Sb 2 exhibits no metamagnetic transitions up to 5.5 T. The χ(T) and C p(T) data for both SrMn 2Sb 2 and BaMn 2Sb 2 indicate strong dynamic short-range AFM correlations above their respective T N up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl 2Si 2 and ThCr 2Si 2 crystal structures show that the T N values for the CaAl 2Si 2-type compounds are much smaller than those for the ThCr 2Si 2-type materials.« less

Cyclic deformation of NI/sub 3/(Al,Nb) single crystals at ambient and elevated temperatures

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

Bonda, N.R.

Cyclic tests were performed on Ni/sub 3/(Al,Nb) (..gamma..' phase) single crystals by using a servo-hydraulic machine under fully reversed plastic strain control at a frequency of 0.1-0.2 Hz at room temperature, 400/sup 0/C and 700/sup 0/C. Since the monotonic behavior is orientation dependent, three orientations were studied. Asymmetry in tensile and compressive stresses was observed in the cyclic hardening curves of specimens tested at these temperatures and they were discussed with regard to the model suggested by Paider et al for monotonic behavior. The stress levels in the cyclic stress-strain curves (CSSC) at room temperature depended on orientation and cyclicmore » history. No CSSCs were established at 400/sup 0/C and 700/sup 0/C. The deformation in cyclic tests at small plastic strain amplitudes was found to be different from that in monotonic tests in the microplastic regions in which the deformation is believed to be carried by a small density of edge dislocations. But in cyclic deformation, to and from motion of dislocations trap the edge dislocations into dipoles and therefore screw dislocations will be forced to participate in the deformation. Cracks on the surfaces of specimens tested at room temperature and 400/sup 0/C were found to be of stage I type, whereas at 700/sup 0/C, they were of stage II type.« less

Indentation Schmid factor and orientation dependence of nanoindentation pop-in behavior of NiAl single crystals

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

Li, Tianlei; Gao, Yanfei; Bei, Hongbin

2011-01-01

Instrumented nanoindentation techniques have been widely used to characterize the small-scale mechanical behavior of materials. The elastic-plastic transition during nanoindentation is often indicated by a sudden displacement burst (pop-in) in the measured load-displacement curve. In defect-free single crystals, the pop-in is believed to be the result of homogeneous dislocation nucleation because the maximum shear stress corresponding to the pop-in load approaches the theoretical strength of the materials and because the statistical distribution of pop-in stresses is consistent with what is expected for a thermally activated process of homogeneous dislocation nucleation. This paper investigates whether this process is affected by crystallographymore » and stress components other than the resolved shear stress. A Stroh formalism coupled with the two-dimensional Fourier transformation is used to derive the analytical stress fields in elastically anisotropic solids under Hertzian contact, which allows the determination of an indentation Schmid factor, namely, the ratio of maximum resolved shear stress to the maximum contact pressure. Nanoindentation tests were conducted on B2-structured NiAl single crystals with different surface normal directions. This material was chosen because it deforms at room temperature by {110}<001> slip and thus avoids the complexity of partial dislocation nucleation. Good agreement is obtained between the experimental data and the theoretically predicted orientation dependence of pop-in loads based on the indentation Schmid factor. Pop-in load is lowest for indentation directions close to <111> and highest for those close to <001>. In nanoindentation, since the stress component normal to the slip plane is typically comparable in magnitude to the resolved shear stress, we find that the pressure sensitivity of homogeneous dislocation nucleation cannot be determined from pop-in tests. Our statistical measurements generally confirm the

Shape Memory effect and Superelasticity in the [001] Single crystals of a FeNiCoAlTa Alloy with γ-α'-Thermoelastic Martensitic Transformations

NASA Astrophysics Data System (ADS)

Chumlyakov, Yu. I.; Kireeva, I. V.; Kretinina, I. V.; Keinikh, K. S.; Kuts, O. A.; Kirillov, V. A.; Karaman, I.; Maier, H.

2013-12-01

Using single crystals of a Fe - 28% Ni - 17% Co - 11.5% Al - 25% Ta (аt.%) alloy, oriented for tensile loading along the [001] direction, the shape-memory (SME) and superelasticity (SE) effects caused by reversible thermoelastic martensitic transformations (MTs) from a high-temperature fcc-phase into a bctmartensite are investigated. It is demonstrated that the conditions necessary for the thermoelastic MTs to occur are achieved by aging at 973 K within the time interval (t) from 0.5 to 7.0 hours, which is accompanied by precipitation of the γ'-phase particles, (FeNiCo)3(AlTa), whose d < 8-12 nm. When the size of the γ'-precipitates becomes as large as d ≥ 8-12 nm, the MT becomes partially reversible. The physical causes underlying the kinetics of thermoelstic reversible fcc-bct MTs are discussed.

High-quality single crystal growth and magnetic property of Mn4Ta2O9

NASA Astrophysics Data System (ADS)

Cao, Yiming; Xu, Kun; Yang, Ya; Yang, Wangfan; Zhang, Yuanlei; Kang, Yanru; He, Xijia; Zheng, Anmin; Liu, Mian; Wei, Shengxian; Li, Zhe; Cao, Shixun

2018-06-01

A large-size single crystal of Mn4Ta2O9 with ∼3.5 mm in diameter and ∼65 mm in length was successfully grown for the first time by a newly designed one-step method based on the optical floating zone technique. Both the clear Laue spots and sharp XRD Bragg reflections suggest the high quality of the single crystal. In Mn4Ta2O9 single crystal, an antiferromagnetic phase transition was observed below Néel temperature 102 K along c axis, which is similar to the isostructural compound Mn4Nb2O9, but differs from the isostructural Co4Nb2O9. Relative dielectric constant at 30 kOe suggests that no magnetoelectric coupling exists in Mn4Ta2O9.

Ultratough single crystal boron-doped diamond

DOEpatents

Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC

2015-05-05

The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

Rietveld refinement of the crystal structures of Rb2 XSi5O12 (X = Ni, Mn)

PubMed Central

Bell, Anthony M. T.; Henderson, C. Michael B.

2016-01-01

The synthetic leucite silicate framework mineral analogues Rb2 XSi5O12 {X = Ni [dirubidium nickel(II) penta­silicate] and Mn [dirubidium manganese(II) penta­silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetra­hedral SiO4 and XO4 units sharing corners to form a partially substituted silicate framework. Extraframework Rb+ cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetra­hedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder. PMID:26958399

Evidence for single-chain magnet behavior in a Mn(III)-Ni(II) chain designed with high spin magnetic units: a route to high temperature metastable magnets.

PubMed

Clérac, Rodolphe; Miyasaka, Hitoshi; Yamashita, Masahiro; Coulon, Claude

2002-10-30

We herein present the synthesis, crystal structure, and magnetic properties of a new heterometallic chain of MnIII and NiII ions, [Mn2(saltmen)2Ni(pao)2(py)2](ClO4)2 (1) (saltmen2- = N,N'-(1,1,2,2-tetramethylethylene) bis(salicylideneiminate) and pao- = pyridine-2-aldoximate). The crystal structure of 1 was investigated by X-ray crystallographic analysis: compound 1 crystallized in monoclinic, space group C2/c (No. 15) with a = 21.140(3) A, b = 15.975(1) A, c = 18.6212(4) A, beta = 98.0586(4) degrees , V = 6226.5(7) A3, and Z = 4. This compound consists of two fragments, the out-of-plane dimer [Mn2(saltmen)2]2+ as a coordination acceptor building block and the neutral mononuclear unit [Ni(pao)2(py)2] as a coordination donor building block, forming an alternating chain having the repeating unit [-Mn-(O)2-Mn-ON-Ni-NO-]n. In the crystal structure, each chain is well separated with a minimum intermetallic distance between Mn and Ni ions of 10.39 A and with the absence of interchain pi overlaps between organic ligands. These features ensure a good magnetic isolation of the chains. The dc and ac magnetic measurements were performed on both the polycrystalline sample and the aligned single crystals of 1. Above 30 K, the magnetic susceptibility of this one-dimensional compound was successfully described in a mean field approximation as an assembly of trimers (Mn...Ni...Mn) with a NiII...MnIII antiferromagnetic interaction (J = -21 K) connected through a ferromagnetic MnIII...MnIII interaction (J'). However, the mean field theory fails to describe the magnetic behavior below 30 K emphasizing the one-dimensional magnetic character of the title compound. Between 5 and 15 K, the susceptibility in the chain direction was fitted to a one-dimensional Ising model leading to the same value of J'. Hysteresis loops are observed below 3.5 K, indicating a magnet-type behavior. In the same range of temperature, combined ac and dc measurements show a slow relaxation of the magnetization

Characterization and formation of σ/γ interface in Ni-based single crystal superalloys

NASA Astrophysics Data System (ADS)

Ma, Shiyu; Zhang, Jianxin; Li, Xueqiao; Mao, Shengcheng

2017-11-01

High-resolution transmission electron microscopy was used to study interfacial characteristics between the plate-shaped σ phase and the γ phase in a Ni-based single crystal superalloy. The atomic structure of the σ/γ interface constituted by steps was presented. However, the HRTEM micrograph of σ phase is not almost identical with the veritable atomic arrangement of σ phase on the same zone axis. The image formation of HRTEM relies on phase contrast, instead of the amplification of the atomic arrangement. From the simulated HRTEM images, the approximate defocus and thickness of the sample can be got as  -3 nm and 6 nm. σ phase has the following crystallographic orientations relations with γ matrix: [0 0 1] γ //[1 1 2] σ , (1 1 0) γ //(1   -1 0) σ , (-1 1 0) γ //(1 1   -1) σ , which can be proved by the stereographic projection. The interfacial steps are made up by (1 1 0) γ and (-1 1 0) γ or (1   -1 0) σ and (1 1   -1) σ . In the interface steps, the length of (-1 1 0) γ //(1 1   -1) σ is longer than (1 1 0) γ //(1   -1 0) σ , which is caused by that distortion factor of (-1 1 0) γ //(1 1   -1)σ is much smaller than that of (1 1 0) γ //(1   -1 0) σ .

Molecular dynamics simulation of fast particle irradiation on the single crystal CeO2

NASA Astrophysics Data System (ADS)

Sasajima, Y.; Ajima, N.; Osada, T.; Ishikawa, N.; Iwase, A.

2013-11-01

We used a molecular dynamics method to simulate structural relaxation caused by the high-energy-ion irradiation of single crystal CeO2. As the initial condition, we assumed high thermal energy was supplied to the individual atoms within a cylindrical region of nanometer-order diameter located in the center of the single crystal. The potential proposed by Inaba et al. was utilized to calculate interactions between atoms [H. Inaba, R. Sagawa, H. Hayashi, K. Kawamura, Solid State Ionics 122 (1999) 95-103]. The supplied thermal energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it was dissipated in the crystal. We compared the obtained results with those of computer simulations for UO2 and found that CeO2 was more stable than UO2 when supplied with high thermal energy.

Single crystals of selected titanates and tungstates

NASA Technical Reports Server (NTRS)

Loiacono, G. M.

1972-01-01

The compound preparation and crystal growth of a number of mixed titanate compositions was investigated. None of the compounds studied were found to melt congruently and therefore, crystal growth was extremely difficult. Various single crystal preparation methods always resulted in mixed phases from which 1-2 mm size crystals could be separated. It is concluded from this study that before successful single crystal growth can be accomplished, a detailed study of the phase diagrams in each of the systems of interest must be completed.

Inkjet printing of single-crystal films.

PubMed

Minemawari, Hiromi; Yamada, Toshikazu; Matsui, Hiroyuki; Tsutsumi, Jun'ya; Haas, Simon; Chiba, Ryosuke; Kumai, Reiji; Hasegawa, Tatsuo

2011-07-13

The use of single crystals has been fundamental to the development of semiconductor microelectronics and solid-state science. Whether based on inorganic or organic materials, the devices that show the highest performance rely on single-crystal interfaces, with their nearly perfect translational symmetry and exceptionally high chemical purity. Attention has recently been focused on developing simple ways of producing electronic devices by means of printing technologies. 'Printed electronics' is being explored for the manufacture of large-area and flexible electronic devices by the patterned application of functional inks containing soluble or dispersed semiconducting materials. However, because of the strong self-organizing tendency of the deposited materials, the production of semiconducting thin films of high crystallinity (indispensable for realizing high carrier mobility) may be incompatible with conventional printing processes. Here we develop a method that combines the technique of antisolvent crystallization with inkjet printing to produce organic semiconducting thin films of high crystallinity. Specifically, we show that mixing fine droplets of an antisolvent and a solution of an active semiconducting component within a confined area on an amorphous substrate can trigger the controlled formation of exceptionally uniform single-crystal or polycrystalline thin films that grow at the liquid-air interfaces. Using this approach, we have printed single crystals of the organic semiconductor 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C(8)-BTBT) (ref. 15), yielding thin-film transistors with average carrier mobilities as high as 16.4 cm(2) V(-1) s(-1). This printing technique constitutes a major step towards the use of high-performance single-crystal semiconductor devices for large-area and flexible electronics applications.

Irradiation effect on luminescence properties of fluoroperovskite single crystal (LiBaF3:Eu2+)

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Madhusoodanan, U.; Nithya, R.; Ramasamy, P.

2014-03-01

Single crystals of pure and Eu2+ doped LiBaF3 have been grown from melt by using a vertical Bridgman-Stockbarger method. Effects induced by irradiation on europium doped LiBaF3 (lithium barium fluoride) single crystals were monitored by optical absorption, photoluminescence and thermoluminescence studies. The absorption bands of Eu2+ ions with peaks at 240, 290 and 320 nm were observed in the LiBaF3:Eu2+ crystal. Drastic increase in absorption was noted below 600 nm after gamma irradiation, which was dependent on the radiation dose. The additional absorption peak at around 570 nm was observed in irradiated crystal due to the ionization process Eu2+(-)e-→Eu3+. Photoluminescence of Eu2+ doped LiBaF3 single crystal shows sharp line peaked at ~359 nm and a broad band extending between 370 and 450 nm which shows a considerable reduction in Eu2+ PL intensity after gamma irradiation. Irradiated LiBaF3:Eu2+ sample has revealed three intense TL glow peaks at 128 °C (peak-1), 281 °C (peak-2) and 407 °C (peak-3). Activation energy (E) and frequency factor (s) of the latter two peaks were determined by various heating rate (VHR) method and graphical method.

The effect of magnetic field on shape memory behavior in Heusler-type nickel(,2)manganese-gallium-based compounds

NASA Astrophysics Data System (ADS)

Jeong, Soon-Jong

2000-08-01

Shape memory alloys (SMAs) have excellent mechanical properties showing large stroke and high power density when used as actuators. In terms of response speed, however, conventional SMAs have a drawback due to the isothermal nature of the associated phase transformation. A new type of SMA, called ferromagnetic SMA, is considered to replace conventional SMAs and is hoped to overcome such a slow response drawback by changing driving mode of shape memory behaviors from thermal to magnetic. The new type of ferromagnetic SMAs is expected to exhibit not only a large displacement but also rapid response when magnetic field is applied and removed. There are three kinds of ferromagnetic SMAs and among them, Ni2MnGa-based compounds exhibit prominent shape memory effects and superelasticity. In this study, Ni2MnGa-based alloys were chosen and studied to characterize shape memory behavior upon the application and removal of magnetic field. The relevance of the magnetic field-induced shape memory behavior to the magnetization process was investigated by using transformation and/or the movement of martensite variant interfaces. Two mechanisms have been proposed for controlling magnetic field-induced shape memory behaviors. One mechanism is related to shape memory behavior associated with magnetic field-induced martensitic transformation. The other is related to the rearrangement of martensite variants by magnetic field application. Magnetic field-induced martensitic transformation and shape memory effects for single- and poly-crystalline Ni2MnGa alloys were investigated under various conditions. In single crystalline specimens, it was observed that considerable strain changes are a function of magnetic field at temperatures below Mf (martensite finish temperature). Such strain changes, by application and subsequent removal of magnetic field, may be attributed to the martensite variant motion at lower temperatures than Mf. Magnetic field application made a significant

Antiferromagnetism in EuCu 2As 2 and EuCu 1.82Sb 2 single crystals

DOE PAGES

Anand, V. K.; Johnston, D. C.

2015-05-07

Single crystals of EuCu 2As 2 and EuCu 2Sb 2 were grown from CuAs and CuSb self-flux, respectively. The crystallographic, magnetic, thermal, and electronic transport properties of the single crystals were investigated by room-temperature x-ray diffraction (XRD), magnetic susceptibility χ versus temperature T, isothermal magnetization M versus magnetic field H, specific heat C p(T), and electrical resistivity ρ(T) measurements. EuCu 2As 2 crystallizes in the body-centered tetragonal ThCr 2Si 2-type structure (space group I4/mmm), whereas EuCu 2Sb 2 crystallizes in the related primitive tetragonal CaBe 2Ge 2-type structure (space group P4/nmm). The energy-dispersive x-ray spectroscopy and XRD data for themore » EuCu 2Sb 2 crystals showed the presence of vacancies on the Cu sites, yielding the actual composition EuCu 1.82Sb 2. The ρ(T) and C p(T) data reveal metallic character for both EuCu 2As 2 and EuCu 1.82Sb 2. Antiferromagnetic (AFM) ordering is indicated from the χ(T),C p(T), and ρ(T) data for both EuCu 2As 2 (T N = 17.5 K) and EuCu 1.82Sb 2 (T N = 5.1 K). In EuCu 1.82Sb 2, the ordered-state χ(T) and M(H) data suggest either a collinear A-type AFM ordering of Eu +2 spins S = 7/2 or a planar noncollinear AFM structure, with the ordered moments oriented in the tetragonal ab plane in either case. This ordered-moment orientation for the A-type AFM is consistent with calculations with magnetic dipole interactions. As a result, the anisotropic χ(T) and isothermal M(H) data for EuCu 2As 2, also containing Eu +2 spins S = 7/2, strongly deviate from the predictions of molecular field theory for collinear AFM ordering and the AFM structure appears to be both noncollinear and noncoplanar.« less

Single-Crystal Elastic Constants of Yttria (Y2O3) Measured to High Temperatures

NASA Technical Reports Server (NTRS)

Sayir, Ali; Palko, James W.; Kriven, Waltraud M.; Sinogeikin, Sergey V.; Bass, Jay D.

2001-01-01

Yttria, or yttrium sesquioxide (Y2O3), has been considered for use in nuclear applications and has gained interest relatively recently for use in infrared optics. Single crystals of yttria have been grown successfully at the NASA Glenn Research Center using a laser-heated float zone technique in a fiber and rod. Such samples allow measurement of the single-crystal elastic properties, and these measurements provide useful property data for the design of components using single crystals. They also yield information as to what degree the elastic properties of yttria ceramics are a result of the intrinsic properties of the yttria crystal in comparison to characteristics that may depend on processing, such as microstructure and intergranular phases, which are common in sintered yttria. The single-crystal elastic moduli are valuable for designing such optical components. In particular, the temperature derivatives of elastic moduli allow the dimensional changes due to heating under physical constraints, as well as acoustic excitation, to be determined. The single-crystal elastic moduli of yttria were measured by Brillouin spectroscopy up to 1200 C. The room-temperature values obtained were C(sub 11) = 223.6 + 0.6 GPa, C(sub 44) = 74.6 + 0.5 GPa, and C(sub 12) = 112.4 + 1.0 GPa. The resulting bulk and (Voigt-Reuss-Hill) shear moduli were K = 149.5 + 1.0 GPa and G(sub VRH) = 66.3 + 0.8 GPa, respectively. Linear least-squares regressions to the variation of bulk and shear moduli with temperature resulted in derivatives of dK/dT = -17 + 2 MPa/C and dG(sub VRH)/dT = -8 + 2 MPa/ C. Elastic anisotropy was found to remain essentially constant over the temperature range studied.

Single crystal growth and anisotropic magnetic properties of HoAl2Ge2

NASA Astrophysics Data System (ADS)

Matin, Md.; Mondal, Rajib; Thamizhavel, A.; Provino, A.; Manfrinetti, P.; Dhar, S. K.

2018-05-01

We have grown a single crystal of HoAl2Ge2, which crystallizes in the hexagonal CaAl2Si2 type structure with Ho ions in the trigonal coordination in the ab plane. The data obtained from the bulk measurement techniques of magnetization, heat capacity and transport reveal that HoAl2Ge2 orders antiferromagnetically at TN ˜6.5 K. The susceptibility below TN and isothermal magnetization at 2 K indicate the ab plane as the easy plane of magnetization. Heat capacity data reveal a prominent Schottky anomaly with a broad peak centered around 25 K, suggesting a relatively low crystal electric field (CEF) splitting. The electrical resistivity reveals the occurrence of a superzone gap below TN. The point charge model of the CEF is applied to the magnetization and the heat capacity data. While a good fit to the paramagnetic susceptibility is obtained, the CEF parameters do not provide a satisfactory fit to the isothermal magnetization at 2 K and the Schottky anomaly.

Superposition model analysis of zero field splitting for Mn2+ in some host single crystals

NASA Astrophysics Data System (ADS)

Bansal, R. S.; Ahlawat, P.; Bharti, M.; Hooda, S. S.

2013-07-01

The Newman superposition model has been used to investigate the substitution of Mn2+ for Zn2+ site in ammonium tetra flurozincate dihydrate and for Co2+ site in cobalt ammonium phosphate hexahydrate and cobalt potassium phosphate hexahydrate single crystals. The calculated values of zero field splitting parameter b 2 0 at room temperature fit the experimental data with average intrinsic parameters overline{b}2 (F) = -0.0531 cm-1 for fluorine and overline{b}2 (O) = -0.0280 cm-1 for oxygen, taken t 2 = 7 for Mn2+ doped in ammonium tetra fluorozincate dihydrate single crystals. The values of overline{b}2 determined for Mn2+ doped in cobalt ammonium phosphate hexahydrate are -0.049 cm-1 for site I and -0.045 cm-1 for site II and in cobalt pottasium phosphate hexahydrate single crystals it is found to be overline{b}2 = -0.086 cm-1. We find close agreement between theoretical and experimental values of b 2 0.

Electrocatalysis of the Needle-Like NiMoO4 Crystal Toward Urea Oxidation Coupled with H2 Production

NASA Astrophysics Data System (ADS)

Zhou, Mao; Miao, Yuqing

In the International Space Station, urine is considered something to be treated. However, urine is mainly composed of water and urea, while they have been demonstrated as an excellent hydrogen carrier for sustainable energy supply. Through the simple chemical coprecipitation and hydrothermal reaction, the needle-like NiMoO4 crystals were synthesized with the average width around 500nm and length up to 4μm. The resulted products were thoroughly characterized by scanning electron microscopy, energy dispersive X-ray spectrometry, X-ray diffraction, Fourier-transform infrared spectroscopy and ultraviolet-visible spectrum. The needle-like NiMoO4 crystals exhibited excellent electrocatalytic oxidation toward urea at anode in alkali solution, leading to the increased performance of hydrogen evolution reaction at cathode with the lower electrochemical potential and energy consumption required to drive the reaction. The high electrocatalysis of the needle-like NiMoO4 crystals toward urea oxidation reveals their great potential for future application to clean the urine/urea-rich wastewater and to produce hydrogen in space station and environmental wastewater.

Single crystal growth of beta-Al2O3 for iso-index filters

NASA Astrophysics Data System (ADS)

Belt, R. F.; Randles, M. H.; Creamer, J. E.

1992-03-01

Single crystals of Beta-Al2O3 with a nominal composition of Na2O.11 Al2O3 were grown from stoichiometric melts contained in an iridium crucible. Seeding was achieved from an Al2O3 single crystal. The growth axis was along a, and x-ray data confirmed the unit cell parameters of a = 5.595 A and c = 22.531 A. The top and bottom lattice constants of the boules were equal to + 0.002 A and indicated a fairly uniform composition. The measured density was 3.25 g/cc. The boules remained physically intact with no major cracks. However, some cleavage progressed on the basal planes as determined by the appearance of interference fringes. Water vapor and CO2 did not enhance the cracking. Crystals were stored in a desiccator but continued to cleave. Ionic diffusions of Na(+), Ag(+), Pb(2+), Rb(+), Ca(2+), Cd(2+), and Tl(+) were performed by immersion of beta-Al2O3 into nitrate or chloride melts at temperatures of 360-7400 C.

Synthesis and catalytic performance of SiO2@Ni and hollow Ni microspheres

NASA Astrophysics Data System (ADS)

Liu, Xin; Liu, Yanhua; Shi, Xueting; Yu, Zhengyang; Feng, Libang

2016-11-01

Nickel (Ni) catalyst has been widely used in catalytic reducing reactions such as catalytic hydrogenation of organic compounds and catalytic reduction of organic dyes. However, the catalytic efficiency of pure Ni is low. In order to improve the catalytic performance, Ni nanoparticle-loaded microspheres can be developed. In this study, we have prepared Ni nanoparticle-loaded microspheres (SiO2@Ni) and hollow Ni microspheres using two-step method. SiO2@Ni microspheres with raspberry-like morphology and core-shell structure are synthesized successfully using SiO2 microsphere as a template and Ni2+ ions are adsorbed onto SiO2 surfaces via electrostatic interaction and then reduced and deposited on surfaces of SiO2 microspheres. Next, the SiO2 cores are removed by NaOH etching and the hollow Ni microspheres are prepared. The NaOH etching time does no have much influence on the crystal structure, shape, and surface morphology of SiO2@Ni; however, it can change the phase composition evidently. The hollow Ni microspheres are obtained when the NaOH etching time reaches 10 h and above. The as-synthesized SiO2@Ni microspheres exhibit much higher catalytic performance than the hollow Ni microspheres and pure Ni nanoparticles in the catalytic reduction of methylene blue. Meanwhile, the SiO2@Ni catalyst has high stability and hence it can be recycled for reuse.

Single-crystal silicon optical fiber by direct laser crystallization

DOE PAGES

Ji, Xiaoyu; Lei, Shiming; Yu, Shih -Ying; ...

2016-12-05

Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillarymore » fibers by high-pressure chemical vapor deposition. The single-crystal fibers, up to 5.1 mm long, have a very welldefined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to ~0.47-1dB/cm at the standard telecommunication wavelength (1550 nm). Furthermore, tt also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.« less

Working Ni-Mn-Ga Single Crystals in a Magnetic Field Against a Spring Load

NASA Astrophysics Data System (ADS)

Lindquist, P. G.; Müllner, P.

2015-03-01

This research characterizes ferromagnetic shape memory elements for use as mechanical actuators. A single crystal of Ni-Mn-Ga was pre-strained in compression from 0 to 6 % and then the shape was recovered with a magnetic field perpendicular to the loading direction while working against a pair of springs. The magnetic field was raised from 0 to 0.64 MA/m and then reduced to zero field. Eight pairs of springs with combined spring constants ranging from 14.3 to 269.4 N/mm were used. When the magnetic field was on, the sample expanded against the springs due to magnetic field-induced strain. When the magnetic field was turned off, the springs compressed the sample back to the initial size before the next cycle. During each cycle, force and displacement were measured and the specific work was computed. Specific work increased with the applied magnetic field and the pre-strain, with a maximum of 14 kJ/m3 at 4.5 % pre-strain and 0.64 MA/m. This value is five times less than the values suggested in the literature which were inferred from stress-strain curves measured under various magnetic fields. The spring prescribes the load-displacement path of the magnetic shape memory element and controls the work output of the actuator.

Crystal growth and characterization of semi-organic 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals for third-order nonlinear optical (NLO) applications

NASA Astrophysics Data System (ADS)

Vediyappan, Sivasubramani; Arumugam, Raja; Pichan, Karuppasamy; Kasthuri, Ramachandran; Muthu, Senthil Pandian; Perumal, Ramasamy

2017-12-01

Semi-organic nonlinear optical (NLO) 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals have been grown by slow evaporation solution technique (SEST) with the growth period of 60 days. The single-crystal XRD analysis confirms the unit cell parameters of the grown crystal. The crystallinity of grown 2A5NPBr was analyzed by powder X-ray diffraction (PXRD) measurement. The presence of functional groups of 2A5NPBr crystal was confirmed by Fourier transform infrared (FTIR) spectrum analysis. The optical transmittance of the grown crystal was analyzed by UV-Vis-NIR analysis. It shows good transparency in the visible and NIR region and it is favorable for nonlinear optical (NLO) device applications. The chemical etching study was carried out and it reveals that the grown crystal has less dislocation density. The photoconductivity study reveals that the grown crystal possesses positive photoconductive nature. The thermal stability of the crystal has been investigated by thermogravimetric (TG) and differential thermal analysis (DTA). The dielectric constant and dielectric loss as a function of frequency were measured. The electronic polarizability (α) of 2A5NPBr molecule has been calculated theoretically by different ways such as Penn analysis, Clausius-Mossotti relation, Lorentz-Lorenz equation, optical bandgap, and coupled dipole method (CDM). The obtained values of electronic polarizability (α) are in good agreement with each other. Laser damage threshold (LDT) of 2A5NPBr crystal has been measured using Nd:YAG laser with the wavelength of 1064 nm. Third-order nonlinear optical property of the grown crystal was studied by Z-scan technique using He-Ne laser of wavelength 632.8 nm.

Superconductivity in Sm-doped CaFe2As2 single crystals

NASA Astrophysics Data System (ADS)

Dong-Yun, Chen; Bin-Bin, Ruan; Jia, Yu; Qi, Guo; Xiao-Chuan, Wang; Qing-Ge, Mu; Bo-Jin, Pan; Tong, Liu; Gen-Fu, Chen; Zhi-An, Ren

2016-06-01

In this article, the Sm-doping single crystals Ca1 - x Sm x Fe2As2 (x = 0 ˜ 0.2) were prepared by the CaAs flux method, and followed by a rapid quenching treatment after the high temperature growth. The samples were characterized by structural, resistive, and magnetic measurements. The successful Sm-substitution was revealed by the reduction of the lattice parameter c, due to the smaller ionic radius of Sm3+ than Ca2+. Superconductivity was observed in all samples with onset T c varying from 27 K to 44 K upon Sm-doping. The coexistence of a collapsed phase transition and the superconducting transition was found for the lower Sm-doping samples. Zero resistivity and substantial superconducting volume fraction only happen in higher Sm-doping crystals with the nominal x > 0.10. The doping dependences of the c-axis length and onset T c were summarized. The high-T c observed in these quenched crystals may be attributed to simultaneous tuning of electron carriers doping and strain effect caused by lattice reduction of Sm-substitution. Project supported by the National Natural Science Foundation of China (Grant No. 11474339), the National Basic Research Program of China (Grant Nos. 2010CB923000 and 2011CBA00100), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB07020100).

Ultratough CVD single crystal diamond and three dimensional growth thereof

DOEpatents

Hemley, Russell J [Washington, DC; Mao, Ho-kwang [Washington, DC; Yan, Chih-shiue [Washington, DC

2009-09-29

The invention relates to a single-crystal diamond grown by microwave plasma chemical vapor deposition that has a toughness of at least about 30 MPa m.sup.1/2. The invention also relates to a method of producing a single-crystal diamond with a toughness of at least about 30 MPa m.sup.1/2. The invention further relates to a process for producing a single crystal CVD diamond in three dimensions on a single crystal diamond substrate.

Physical properties of the Ce 2 M Al 7 Ge 4 heavy-fermion compounds ( M = Co , Ir , Ni , Pd )

DOE PAGES

Ghimire, N. J.; Cary, S. K.; Eley, S.; ...

2016-05-23

Here, we report the synthesis, crystal structure, and characterization by means of single-crystal x-ray diffraction, neutron powder diffraction, and magnetic, thermal, and transport measurements of the new heavy-fermion compounds Ce 2MAl 7Ge 4 (M=Co,Ir,Ni,Pd). These compounds crystallize in a noncentrosymmetric tetragonal space group Pmore » $$\\bar{4}$$2 1m, consisting of layers of square nets of Ce atoms separated by Ge-Al and M-Al-Ge blocks. Ce 2CoAl 7Ge 4,Ce 2IrAl 7Ge 4, and Ce 2NiAl 7Ge 4 order magnetically below TM=1.8, 1.6, and 0.8 K, respectively. There is no evidence of magnetic ordering in Ce 2PdAl 7Ge 4 down to 0.4 K. Furthermore, the small amount of entropy released in the magnetic state of Ce 2MAl 7Ge 4 (M = Co, Ir, Ni) and the reduced specific heat jump at T M suggest a strong Kondo interaction in these materials. Ce 2PdAl 7Ge 4 shows non-Fermi liquid behavior, possibly due to the presence of a nearby quantum critical point.« less

Magnetic and magnetostrictive behavior of Dy 3+ doped CoFe 2O 4 single crystals grown by flux method

NASA Astrophysics Data System (ADS)

Kambale, Rahul C.; Song, K. M.; Won, C. J.; Lee, K. D.; Hur, N.

2012-02-01

We studied the effect of Dy 3+ content on the magnetic properties of cobalt ferrite single crystal. The single crystals of CoFe 1.9Dy 0.1O 4 were grown by the flux method using Na 2B 4O 7.10 H 2O (Borax) as a solvent (flux). The black and shiny single crystals were obtained as a product. The X-ray diffraction analysis at room temperature confirmed the spinel cubic structure with lattice constant a=8.42 Å of the single crystals. The compositional analysis endorses the presence of constituents Co, Fe and Dy elements after sintering at 1300 °C within the final structure. The magnetic hysteresis measurements at various temperatures viz. 10 K, 100 K, 200 K and 300 K reveal the soft ferrimagnetic nature of the single crystal than that of for pure CoFe 2O 4. The observed saturation magnetization ( Ms) and coercivity ( Hc) are found to be lower than that of pure CoFe 2O 4 single crystal. The magnetostriction ( λ) measurement was carried out along the [001] direction. The magnetic measurements lead to conclude that the present single crystals can be used for magneto-optic recording media.

Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

NASA Astrophysics Data System (ADS)

Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

2016-01-01

The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.

Study of single crystals of metal solid solutions

NASA Technical Reports Server (NTRS)

Doty, J. P.; Reising, J. A.

1973-01-01

The growth of single crystals of relatively high melting point metals such as silver, copper, gold, and their alloys was investigated. The purpose was to develop background information necessary to support a space flight experiment and to generate ground based data for comparison. The ground based data, when compared to the data from space grown crystals, are intended to identify any effects which zero-gravity might have on the basic process of single crystal growth of these metals. The ultimate purposes of the complete investigation are to: (1) determine specific metals and alloys to be investigated; (2) grow single metal crystals in a terrestrial laboratory; (3) determine crystal characteristics, properties, and growth parameters that will be effected by zero-gravity; (4) evaluate terrestrially grown crystals; (5) grow single metal crystals in a space laboratory such as Skylab; (6) evaluate the space grown crystals; (7) compare for zero-gravity effects of crystal characteristics, properties, and parameters; and (8) make a recommendation as to production of these crystals as a routine space manufacturing proceses.

Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.

PubMed

Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi

2006-03-30

Sandwich-type supramolecular cation structures of (M(+))([12]crown-4)(2) complexes (M(+) = Li(+), Na(+), K(+), and Rb(+)) were introduced as countercations to the [Ni(dmit)(2)](-) anion, which bears an S = (1)/(2) spin, to form novel magnetic crystals (dmit(2-) = 2-thione-1,3-dithiole-4,5-dithiolate). The zigzag arrangement of Li(+)([12]crown-4)(2) cations in Li(+)([12]crown-4)(2)[Ni(dmit)(2)](-) salt induced weak intermolecular interactions of [Ni(dmit)(2)](-) dimers, whose magnetic spins were isolated from each other. The molecular arrangements of cations and anions in M(+)([12]crown-4)(2)[Ni(dmit)(2)](-) salts (M(+) = Na(+), K(+), and Rb(+)) were isostructural to each other. In the case of Na(+)([12]crown-4)(2)[Ni(dmit)(2)](-), the space group C2/m changed to C2/c with a lowering in temperature from 298 to 100 K. This structural change occurred at 222.5 K as a first-order phase transition. The space group C2/m (T = 298 K) in the salt K(+)([12]crown-4)(2)[Ni(dmit)(2)](-) also changed to C2/c (T = 100 K), which transition occurred at 270 K. Crystal structural analyses at 298 and 100 K revealed changes in both supramolecular cation conformation and [Ni(dmit)(2)](-) anion arrangements. The transition from C2/m to C2/c crystals generated a dipole moment in the Na(+)([12]crown-4)(2) and K(+)([12]crown-4)(2) structures, which were reconstructed to cancel the net dipole moment of the C2/c crystals. These cation transformations led to changes in intermolecular interactions between the [Ni(dmit)(2)](-) anions via structural rearrangements. The crystal structure of C2/c was stabilized in Rb(+)([12]crown-4)(2)[Ni(dmit)(2)](-) at 298 K. The [Ni(dmit)(2)](-) configuration in these salts with the C2/c space group was a one-dimensional uniform chain, which showed the temperature-dependent magnetic susceptibility of a one-dimensional linear Heisenberg antiferromagnetic chain.

Optical, structural, thermal and dielectric spectroscopy characterizations of seeded melt grown 2-hydroxy biphenyl single crystal.

PubMed

Sadhasivam, S; Rajesh, Narayana Perumal

2014-09-15

Organic single crystal of 2-hydroxy biphenyl (2-HB) was grown by top seeded melt growth method. Scanning electron microscopy studies has been carried out on the surface of the grown crystals to investigate the nature of growth and defects. The crystalline perfection and lattice parameters of 2-HB has been determined by single crystal XRD analysis and it belongs to orthorhombic crystal system with space group Fdd2. The functional groups and molecular associations were confirmed by FT-IR. The optical characteristics such as cut-off and transmittance were carried out using UV-Vis-NIR spectra. Absence of absorption in the region between 320 and 1100 nm makes the grown crystal desirable to optical applications. Thermal stability of grown crystals was characterized by thermogravimetric (TGA), differential thermal analysis (DTA) and differential scanning calorimetric (DSC) analyses. Broadband dielectric studies reveals that dielectric constant of grown crystal is low. The resistivity of grown crystal was studied by impedance analysis. The second harmonic generation intensity of 3.8 mJ was studied. The grown crystal belongs to soft material studied by hardness test. Copyright © 2014 Elsevier B.V. All rights reserved.

Absorption of Dy3+ and Nd3+ ions in Ba R 2F8 single crystals

NASA Astrophysics Data System (ADS)

Apollonov, V. V.; Pushkar', A. A.; Uvarova, T. V.; Chernov, S. P.

2008-09-01

The Dy3+ absorption and excitation spectra of BaY2F8 and BaYb2F8 single crystals are investigated in the ultraviolet, vacuum ultraviolet, and visible ranges at a temperature of 300 K. These crystals exhibit intense broad absorption bands due to the spin-allowed 4 f-5 d transitions in the range (56-78) × 10-3 cm-1 and less intense absorption bands that correspond to the spin-forbidden transitions in the range (50-56) × 10-3 cm-1. The Nd3+ absorption spectra of BaY2F8 single crystals are studied in the range (34-82) × 10-3 cm-1 at 300 K for different crystal orientations.

In Situ Neutron Diffraction Analyzing Stress-Induced Phase Transformation and Martensite Elasticity in [001]-Oriented Co49Ni21Ga30 Shape Memory Alloy Single Crystals

NASA Astrophysics Data System (ADS)

Reul, A.; Lauhoff, C.; Krooß, P.; Gutmann, M. J.; Kadletz, P. M.; Chumlyakov, Y. I.; Niendorf, T.; Schmahl, W. W.

2018-02-01

Recent studies demonstrated excellent pseudoelastic behavior and cyclic stability under compressive loads in [001]-oriented Co-Ni-Ga high-temperature shape memory alloys (HT-SMAs). A narrow stress hysteresis was related to suppression of detwinning at RT and low defect formation during phase transformation due to the absence of a favorable slip system. Eventually, this behavior makes Co-Ni-Ga HT-SMAs promising candidates for several industrial applications. However, deformation behavior of Co-Ni-Ga has only been studied in the range of theoretical transformation strain in depth so far. Thus, the current study focuses not only on the activity of elementary deformation mechanisms in the pseudoelastic regime up to maximum theoretical transformation strains but far beyond. It is shown that the martensite phase is able to withstand about 5% elastic strain, which significantly increases the overall deformation capability of this alloy system. In situ neutron diffraction experiments were carried out using a newly installed testing setup on Co-Ni-Ga single crystals in order to reveal the nature of the stress-strain response seen in the deformation curves up to 10% macroscopic strain.

Synthesis, growth, structural, thermal and optical studies of pyrrolidinium-2-carboxylate-4-nitrophenol single crystals.

PubMed

Swarna Sowmya, N; Sampathkrishnan, S; Vidyalakshmi, Y; Sudhahar, S; Mohan Kumar, R

2015-06-15

Organic nonlinear optical material, pyrrolidinium-2-carboxylate-4-nitrophenol (PCN) was synthesized and single crystals were grown by slow evaporation solution growth method. Single crystal X-ray diffraction analysis confirmed the structure and lattice parameters of PCN crystals. Infrared, Raman and NMR spectral analyses were used to elucidate the functional groups present in the compound. The thermal behavior of synthesized compound was studied by thermogravimetric and differential scanning calorimetry (TG-DSC) analyses. The photoluminescence property was studied by exciting the crystal at 360 nm. The relative second harmonic generation (SHG) efficiency of grown crystal was estimated by using Nd:YAG laser with fundamental wavelength of 1,064 nm. Copyright © 2015 Elsevier B.V. All rights reserved.

Optimization and characterization of bulk hexagonal boron nitride single crystals grown by the nickel-chromium flux method

NASA Astrophysics Data System (ADS)

Hoffman, Tim

Hexagonal boron nitride (hBN) is a wide bandgap III-V semiconductor that has seen new interest due to the development of other III-V LED devices and the advent of graphene and other 2-D materials. For device applications, high quality, low defect density materials are needed. Several applications for hBN crystals are being investigated, including as a neutron detector and interference-less infrared-absorbing material. Isotopically enriched crystals were utilized for enhanced propagation of phonon modes. These applications exploit the unique physical, electronic and nanophotonics applications for bulk hBN crystals. In this study, bulk hBN crystals were grown by the flux method using a molten Ni-Cr solvent at high temperatures (1500°C) and atmospheric pressures. The effects of growth parameters, source materials, and gas environment on the crystals size, morphology and purity were established and controlled, and the reliability of the process was greatly improved. Single-crystal domains exceeding 1mm in width and 200microm in thickness were produced and transferred to handle substrates for analysis. Grain size dependence with respect to dwell temperature, cooling rate and cooling temperature were analyzed and modeled using response surface morphology. Most significantly, crystal grain width was predicted to increase linearly with dwell temperature, with single-crystal domains exceeding 2mm in at 1700°C. Isotopically enriched 10B and 11B hBN crystal were produced using a Ni-Cr-B flux method, and their properties investigated. 10B concentration was evaluated using SIMS and correlated to the shift in the Raman peak of the E2g mode. Crystals with enrichment of 99% 10B and >99% 11B were achieved, with corresponding Raman shift peaks at 1392.0 cm-1 and 1356.6 cm-1, respectively. Peak FWHM also decreased as isotopic enrichment approached 100%, with widths as low as 3.5 cm-1 achieved, compared to 8.0 cm-1 for natural abundance samples. Defect selective etching was

Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

DOEpatents

Todt, V.; Miller, D.J.; Shi, D.; Sengupta, S.

1998-07-07

A method of fabricating bulk YBa{sub 2}Cu{sub 3}O{sub x} where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa{sub 2}Cu{sub 3}O{sub x} are heated in the presence of a Nd{sub 1+x}Ba{sub 2{minus}x}Cu{sub 3}O{sub y} seed crystal to a temperature sufficient to form a liquid phase in the YBa{sub 2}Cu{sub 3}O{sub x} while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa{sub 2}Cu{sub 3}O{sub x} material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material. 7 figs.

Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

DOEpatents

Todt, Volker; Miller, Dean J.; Shi, Donglu; Sengupta, Suvankar

1998-01-01

A method of fabricating bulk YBa.sub.2 Cu.sub.3 O.sub.x where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa.sub.2 Cu.sub.3 O.sub.x are heated in the presence of a Nd.sub.1+x Ba.sub.2-x Cu.sub.3 O.sub.y seed crystal to a temperature sufficient to form a liquid phase in the YBa.sub.2 Cu.sub.3 O.sub.x while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa.sub.2 Cu.sub.3 O.sub.x material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material.

Fermi surfaces of the pyrite-type cubic AuSb2 compared with split Fermi surfaces of the ullmannite-type cubic chiral NiSbS and PdBiSe

NASA Astrophysics Data System (ADS)

Nishimura, K.; Kakihana, M.; Nakamura, A.; Aoki, D.; Harima, H.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

We grew high-quality single crystals of AuSb2 with the pyrite (FeS2)-type cubic structure by the Bridgman method and studied the Fermi surface properties by the de Haas-van Alphen (dHvA) experiment and the full potential LAPW band calculation. The Fermi surfaces of AuSb2 are found to be similar to those of NiSbS and PdBiSe with the ullmannite (NiSbS)-type cubic chiral structure because the crystal structures are similar each other and the number of valence electrons is the same between two different compounds. Note that each Fermi surface splits into two Fermi surfaces in NiSbS and PdBiSe, reflecting the non-centrosymmetric crystal structure.

Fabrication of graded index single crystal in glass

PubMed Central

Veenhuizen, Keith; McAnany, Sean; Nolan, Daniel; Aitken, Bruce; Dierolf, Volkmar; Jain, Himanshu

2017-01-01

Lithium niobate crystals were grown in 3D through localized heating by femtosecond laser irradiation deep inside 35Li2O-35Nb2O5-30SiO2 glass. Laser scanning speed and power density were systematically varied to control the crystal growth process and determine the optimal conditions for the formation of single crystal lines. EBSD measurements showed that, in principle, single crystals can be grown to unlimited lengths using optimal parameters. We successfully tuned the parameters to a growth mode where nucleation and growth occur upon heating and ahead of the scanning laser focus. This growth mode eliminates the problem reported in previous works of non-uniform polycrystallinity because of a separate growth mode where crystallization occurs during cooling behind the scanning laser focus. To our knowledge, this is the first report of such a growth mode using a fs laser. The crystal cross-sections possessed a symmetric, smooth lattice misorientation with respect to the c-axis orientation in the center of the crystal. Calculations indicate the observed misorientation leads to a decrease in the refractive index of the crystal line from the center moving outwards, opening the possibility to produce within glass a graded refractive index single crystal (GRISC) optically active waveguide. PMID:28287174

Superconducting gap of the single crystal β-PdBi2

NASA Astrophysics Data System (ADS)

Matsuzaki, H.; Nagai, K.; Kase, N.; Nakano, T.; Takeda, N.

2017-07-01

We investigate superconducting and normal properties of the single crystal of β-PdBi2. The electrical resistivity ρ(T) shows superconductivity at Tc = 5.0 K. Residual resistivity ratio (RRR) is estimated to be 2.9 obtained from ρ(300 K)/ρ(5.0 K). The H c2 curve obtained from ρ(T) in magnetic fields shows cleat enhancement from the Wertharmer-Helfand-Hohenberg theory in dirty limit. Specific heat C(T) measurement shows that clear jump is observed at T c = 4.8 K. T-dependence of the electronic specific heat C e(T) suggests full-gap symmetry with a single gap and strong coupling with ΔC e/γT c = 1.8.

SAW properties in quartz-like α-GeO2 single crystal

NASA Astrophysics Data System (ADS)

Taziev, R. M.

2018-05-01

The paper investigates numerically the properties of surface acoustic waves (SAW) in a new α-GeO2 single crystal of trigonal crystal symmetry (32). It is shown that the SAW has a maximum value of electromechanical coupling coefficient ≈0.14% on Z+120°, X –cut of a crystal with a zero power flow deflection angle. For the case of Z+140°X+25°-cut, the SAW electromechanical coupling coefficient equals 0.17 %, but the power flow deflection angle is not zero. Calculations are made of the frequency dependence of the conductance of SAW interdigital transducers (IDT), which electrode number equals 100 and wavelength is 20 microns on Z+120°,X –cut crystal. The excitations of bulk acoustic waves are absent in this cut case. Leaky acoustic wave, generated by IDT on Z+120°,X –cut of crystal, has a small electromechanical coupling coefficient, which is 4 times less than that for SAW.

Dendrite segregation in Ni3Al-based intermetallic single crystals alloyed with Cr, Mo, W, Ti, Co, and Re

NASA Astrophysics Data System (ADS)

Drozdov, A. A.; Povarova, K. B.; Morozov, A. E.; Antonova, A. V.; Bulakhtina, M. A.; Alad'ev, N. A.

2015-07-01

The character of dendrite segregation in Ni3Al-based intermetallic VKNA-type alloy single crystals with a dendritic-cellular structure is studied. Distribution coefficient k d of an alloying element (AE) in the alloy during solidification k d = c d.a.I/ c 0 ( c 0 is the AE content in the alloy (liquid phase composition), c d.a.I is the AE content in primary dendrite arms of the alloy (in the solid phase)) and segregation coefficient k s = c d.a.I/ c i.d ( c i.d is the AE content in the interdendritic space) have been found. A comparative study of the dendrite segregation parameters in VKNA-nype Ni3Al-based intermetallic alloys and the well-known ZhS36-type nickel superalloy shows that the intermetallic alloys satisfy to the rule deduced for two- and three-component nickel-based superalloys: if an introduced AE increases the melting temperature of the basic metal, we have k d > 1 (Co, W, Re); if it decreases the melting temperature, we have k d < 1 (Al, Ti, Cr, Mo). Dendrite segregation coefficients k s are dependent on the proportion of the AE contents in the alloys. In nickel superalloys, the dendrite segregation of aluminum, tungsten, and rhenium is higher than that in the intermetallic alloys. The dendrite segregation coefficients of tungsten and rhenium is higher by a factor of 1.5-2 than that in the VKNA-type intermetallic alloys with a low content of refractory metals. This can be due to the retardation of diffusion of refractory metals in the solid phase of a nickel superalloy highly alloyed with these elements.

Solution-processed, Self-organized Organic Single Crystal Arrays with Controlled Crystal Orientation

PubMed Central

Kumatani, Akichika; Liu, Chuan; Li, Yun; Darmawan, Peter; Takimiya, Kazuo; Minari, Takeo; Tsukagoshi, Kazuhito

2012-01-01

A facile solution process for the fabrication of organic single crystal semiconductor devices which meets the demand for low-cost and large-area fabrication of high performance electronic devices is demonstrated. In this paper, we develop a bottom-up method which enables direct formation of organic semiconductor single crystals at selected locations with desired orientations. Here oriented growth of one-dimensional organic crystals is achieved by using self-assembly of organic molecules as the driving force to align these crystals in patterned regions. Based upon the self-organized organic single crystals, we fabricate organic field effect transistor arrays which exhibit an average field-effect mobility of 1.1 cm2V−1s−1. This method can be carried out under ambient atmosphere at room temperature, thus particularly promising for production of future plastic electronics. PMID:22563523

A solid solution series of atacamite type Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3}

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

Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian

2015-08-15

For the first time a complete solid solution series Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3} of an atacamite type alkaline main group metal chloride, Mg{sub 2}Cl(OH){sub 3}, and a transition group metal chloride, Ni{sub 2}Cl(OH){sub 3}, was prepared and characterized by chemical and thermal analysis as well as by Raman and IR spectroscopy, and high resolution laboratory X-ray powder diffraction. All members of the solid solution series crystallize in space group Pnam (62). The main building units of these crystal structures are distorted, edge-linked Ni/MgO{sub 4}Cl{sub 2} and Ni/MgO{sub 5}Cl octahedra. The distribution of Ni{sup 2+}- and Mg{sup 2+}-ions among these twomore » metal-sites within the solid solution series is discussed in detail. The crystallization of the solid solution phases occurs via an intermediate solid solution series, (Ni/Mg)Cl{sub 2x}(OH){sub 2−2x}, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}. For one isolated intermediate solid solution member, Ni{sub 0.70}Mg{sub 0.30}Cl{sub 0.58}(OH){sub 1.42}, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}, was synthesized and characterized. Structure solution by revealed that Ni{sup 2+} prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni{sup 2+} by Mg{sup 2+} in atacamite type Ni{sub 2}Cl(OH){sub 3} results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+} and other divalent transition metal ions, as described in literature, were identified as separate compounds. - Highlights: • First synthesis of solid solution series between main and transition metal chloride. • Ni{sup 2+} prefers to occupy Jahn–Teller-like distorted

2Flux growth and characterization of Ce-substituted Nd 2 Fe 14 B single crystals

DOE PAGES

Susner, Michael A.; Conner, Benjamin S.; Saparov, Bayrammurad I.; ...

2016-10-27

Single crystals of (Nd 1-xCe x) 2Fe 14B are grown out of Fe-(Nd,Ce) flux. Chemical and structural analysis of the crystals indicate that (Nd 1-xCe x) 2Fe 14B forms a solid solution until at least x = 0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements at 300 K show only small decreases with increasing Ce content in saturation magnetization (M s) and anisotropy field (H A), and Curie temperaturemore » (T C). First principles calculations are carried out to understand the effect of Ce substitution on the electronic and magnetic properties. For a multitude of applications, it is expected that the advantage of incorporating lower-cost and more abundant Ce will outweigh the small adverse effects on magnetic properties. In conclusion, Ce-substituted Nd 2Fe 14B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.« less

Investigation on synthesis, growth and characterization of CdIn2S2Se2 single crystal grown by vertical Bridgman method

NASA Astrophysics Data System (ADS)

Vijayakumar, P.; Ramasamy, P.

2017-06-01

CdIn2S2Se2 polycrystalline material has been synthesized by melt oscillation method. Vertical Bridgman method was used to grow a good quality CdIn2S2Se2 single crystal. The crystalline phase and growth orientation were confirmed by powder X-ray diffraction pattern and unit cell parameters were determined by single crystal X-ray diffraction analysis. The structural uniformity of CdIn2S2Se2 was studied using Raman scattering spectroscopy at room temperature. The stoichiometric composition variation along the CdIn2S2Se2 was measured using energy dispersive spectrometry. The transmission spectra of CdIn2S2Se2 single crystal gave 42% transmission in the NIR region. Thermal property of CdIn2S2Se2 has been studied using differential thermal analysis. Thermal diffusivity, specific heat capacity and thermal conductivity were also measured. Electrical property was measured using Hall Effect measurement and it confirms the n-type semiconducting nature. The hardness behavior has been measured using Vickers micro hardness measurement and the indentation size effect has been observed.

Synthesis of Mesoporous Single Crystal Co(OH)2 Nanoplate and Its Topotactic Conversion to Dual-Pore Mesoporous Single Crystal Co3O4.

PubMed

Jia, Bao-Rui; Qin, Ming-Li; Li, Shu-Mei; Zhang, Zi-Li; Lu, Hui-Feng; Chen, Peng-Qi; Wu, Hao-Yang; Lu, Xin; Zhang, Lin; Qu, Xuan-Hui

2016-06-22

A new class of mesoporous single crystalline (MSC) material, Co(OH)2 nanoplates, is synthesized by a soft template method, and it is topotactically converted to dual-pore MSC Co3O4. Most mesoporous materials derived from the soft template method are reported to be amorphous or polycrystallined; however, in our synthesis, Co(OH)2 seeds grow to form single crystals, with amphiphilic block copolymer F127 colloids as the pore producer. The single-crystalline nature of material can be kept during the conversion from Co(OH)2 to Co3O4, and special dual-pore MSC Co3O4 nanoplates can be obtained. As the anode of lithium-ion batteries, such dual-pore MSC Co3O4 nanoplates possess exceedingly high capacity as well as long cyclic performance (730 mAh g(-1) at 1 A g(-1) after the 350th cycle). The superior performance is because of the unique hierarchical mesoporous structure, which could significantly improve Li(+) diffusion kinetics, and the exposed highly active (111) crystal planes are in favor of the conversion reaction in the charge/discharge cycles.

Plastic deformation of B2-NiTi - is it slip or twinning?

NASA Astrophysics Data System (ADS)

Sehitoglu, H.; Wu, Y.; Alkan, S.; Ertekin, E.

2017-06-01

The work addresses two main questions that have baffled the shape memory research community. Firstly, the superb ductility of B2-NiTi cannot be solely attributed to slip on {0 1 1} planes, because there are not a sufficient number of independent slip systems under arbitrary deformations. We show unequivocally, upon diffraction measurements and local strain field traces, that deformation twinning on {1 1 4} planes that can provide additional systems to accommodate plastic flow is activated. Secondly, the slip direction on the {0 1 1} planes has not been established in NiTi with certainty. It is proved precisely to be in ?0 0 1? direction based on crystallographic shear analysis producing the specific strain tensor components (measured at mesoscale with digital image correlation, DIC). Based on the single-crystal experiments, the CRSSs (critical resolved shear stress) are established as 250 and 330 MPa for slip and twinning, respectively. The results have implications in devising correct crystal plasticity formulations for shape memory alloys.

Thermal diffusivity of Bi 2Sr 2CaCu 2O 8 single crystals

NASA Astrophysics Data System (ADS)

Wu, X. D.; Fanton, J. G.; Kino, G. S.; Ryu, S.; Mitzi, D. B.; Kapitulnik, A.

1993-12-01

We have made direct measurements of the temperature dependence of the thermal diffusivity along all three axes of a single- crystal Bi 2Ca 2SrCu 2O 8 superconductor. We find that the thermal diffusivity is enhanced dramatically along the Cu-O planes below Tc. From our results, we estimate a 40% electronic contribution to the diffusivity along the Cu-O planes. At room temperature the total anisotropy in thermal diffusivity is 7:1, while the lattice contribution has only a 4.2:1 anisotropy.

Growth and physicochemical properties of second-order nonlinear optical 2-amino-5-chloropyridinium trichloroacetate single crystals

NASA Astrophysics Data System (ADS)

Renugadevi, R.; Kesavasamy, R.

2015-09-01

The growth of organic nonlinear optical (NLO) crystal 2-amino-5-chloropyridinium trichloroacetate (2A5CPTCA) has been synthesized and single crystals have been grown from methanol solvent by slow evaporation technique. The grown crystals were subjected to various characterization analyses in order to find out the suitability for device fabrication. Single crystal X-ray diffraction analysis reveals that 2A5CPTCA crystallizes in monoclinic system with the space group Cc. The grown crystal was further characterized by Fourier transform infrared spectral analysis to find out the functional groups. The nuclear magnetic resonance spectroscopy is a research technique that exploits the magnetic properties of certain atomic nuclei. The optical transparency window in the visible and near-IR (200--1100 nm) regions was found to be good for NLO applications. Thermogravimetric analysis and differential thermal analysis were used to study its thermal properties. The powder second harmonic generation efficiency measurement with Nd:YAG laser (1064 nm) radiation shows that the highest value when compared with the standard potassium dihydrogen phosphate crystal.

Computer Aided Design of Ni-Based Single Crystal Superalloy for Industrial Gas Turbine Blades

NASA Astrophysics Data System (ADS)

Wei, Xianping; Gong, Xiufang; Yang, Gongxian; Wang, Haiwei; Li, Haisong; Chen, Xueda; Gao, Zhenhuan; Xu, Yongfeng; Yang, Ming

The influence of molybdenum, tungsten and cobalt on stress-rupture properties of single crystal superalloy PWA1483 has been investigated using the simulated calculation of JMatPro software which ha s been widely used to develop single crystal superalloy, and the effect of alloying element on the stability of strengthening phase has been revealed by using the Thermo-Calc software. Those properties calculation results showed that the increasing of alloy content could facilitate the precipitation of TCP phases and increase the lattice misfit between γ and γ' phase, and the effect of molybdenum, tantalum was the strongest and that of cobalt was the weakest. Then the chemical composition was optimized, and the selected compositions showed excellent microstructure stability and stress-rupture properties by the confirmation of d-electrons concept and software calculation.

Vapochromic Behaviour of M[Au(CN)2]2-Based Coordination Polymers (M = Co, Ni)

PubMed Central

Lefebvre, Julie; Korčok, Jasmine L.; Katz, Michael J.; Leznoff, Daniel B.

2012-01-01

A series of M[Au(CN)2]2(analyte)x coordination polymers (M = Co, Ni; analyte = dimethylsulfoxide (DMSO), N,N-dimethylformamide (DMF), pyridine; x = 2 or 4) was prepared and characterized. Addition of analyte vapours to solid M(μ-OH2)[Au(CN)2]2 yielded visible vapochromic responses for M = Co but not M = Ni; the IR νCN spectral region changed in every case. A single crystal structure of Zn[Au(CN)2]2(DMSO)2 revealed a corrugated 2-D layer structure with cis-DMSO units. Reacting a Ni(II) salt and K[Au(CN)2] in DMSO yielded the isostructural Ni[Au(CN)2]2(DMSO)2 product. Co[Au(CN)2]2(DMSO)2 and M[Au(CN)2]2(DMF)2 (M = Co, Ni) complexes have flat 2-D square-grid layer structures with trans-bound DMSO or DMF units; they are formed via vapour absorption by solid M(μ-OH2)[Au(CN)2]2 and from DMSO or DMF solution synthesis. Co[Au(CN)2]2(pyridine)4 is generated via vapour absorption by Co(μ-OH2)[Au(CN)2]2; the analogous Ni complex is synthesized by immersion of Ni(μ-OH2)[Au(CN)2]2 in 4% aqueous pyridine. Similar immersion of Co(μ-OH2)[Au(CN)2]2 yielded Co[Au(CN)2]2(pyridine)2, which has a flat 2-D square-grid structure with trans-pyridine units. Absorption of pyridine vapour by solid Ni(μ-OH2)[Au(CN)2]2 was incomplete, generating a mixture of pyridine-bound complexes. Analyte-free Co[Au(CN)2]2 was prepared by dehydration of Co(μ-OH2)[Au(CN)2]2 at 145 °C; it has a 3-D diamondoid-type structure and absorbs DMSO, DMF and pyridine to give the same materials as by vapour absorption from the hydrate. PMID:22737031

Controllable synthesis and enhanced microwave absorbing properties of Fe3O4/NiFe2O4/Ni heterostructure porous rods

NASA Astrophysics Data System (ADS)

Li, Yana; Wu, Tong; Jin, Keying; Qian, Yao; Qian, Naxin; Jiang, Kedan; Wu, Wenhua; Tong, Guoxiu

2016-11-01

We developed a coordinated self-assembly/precipitate transfer/sintering method that allows the controllable synthesis of Fe3O4/NiFe2O4/Ni heterostructure porous rods (HPRs). A series of characterizations confirms that changing [Ni2+] can effectively control the crystal size, internal strain, composition, textural characteristics, and properties of HPRs. Molar percentages of Ni and NiFe2O4 in HPRs increase with [Ni2+] in various Boltzmann function modes. Saturation magnetization Ms and coercivity Hc show U-shaped change trends because of crystal size, composition, and interface magnetic coupling. High magnetic loss is maintained after decorating NiFe2O4 and Ni on the surface of Fe3O4 PRs. Controlling the NiFe2O4 interface layers and Ni content can improve impedance matching and dielectric losses, thereby leading to lighter weight, stronger absorption, and broader absorption band of Fe3O4/NiFe2O4/Ni HPRs than Fe3O4 PRs. An optimum EM wave absorbing property was exhibited by Fe3O4/NiFe2O4/Ni HPRs formed at [Ni2+] = 0.05 M. The maximum reflection loss (RL) reaches -58.4 dB at 13.68 GHz, which corresponds to a 2.1 mm matching thickness. The absorbing bandwidth (RL ≤ -20 dB) reaches 14.4 GHz with the sample thickness at 1.6-2.4 and 2.8-10.0 mm. These excellent properties verify that Fe3O4/NiFe2O4/Ni HPRs are promising candidates for new and effective absorptive materials.

High Pressure Single Crystal Diffraction at PX 2

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

Zhang, Dongzhou; Dera, Przemyslaw K.; Eng, Peter J.

2017-01-01

In this report, we describe detailed procedures for carrying out single crystal X-ray diffraction experiments with a diamond anvil cell at the GSECARS 13-BM-C beamline at the Advanced Photon Source. ATREX and RSV programs are used to analyze the data.

Synthesis, crystal growth and characterization of bioactive material: 2- Amino-1H-benzimidazolium pyridine-3-carboxylate single crystal- a proton transfer molecular complex