Studying the Polarization Switching in Polycrystalline BiFeO3 Films by 2D Piezoresponse Force Microscopy

NASA Astrophysics Data System (ADS)

Jin, Yaming; Lu, Xiaomei; Zhang, Junting; Kan, Yi; Bo, Huifeng; Huang, Fengzhen; Xu, Tingting; Du, Yingchao; Xiao, Shuyu; Zhu, Jinsong

2015-07-01

For rhombohedral multiferroelectrics, non-180° ferroelectric domain switching may induce ferroelastic and/or (anti-)ferromagnetic effect. So the determination and control of ferroelectric domain switching angles is crucial for nonvolatile information storage and exchange-coupled magnetoelectric devices. We try to study the intrinsic characters of polarization switching in BiFeO3 by introducing a special data processing method to determine the switching angle from 2D PFM (Piezoresponse Force Microscopy) images of randomly oriented samples. The response surface of BiFeO3 is first plotted using the piezoelectric tensor got from first principles calculations. Then from the normalized 2D PFM signals before and after switching, the switching angles of randomly oriented BiFeO3 grains can be determined through numerical calculations. In the polycrystalline BiFeO3 films, up to 34% of all switched area is that with original out-of-plane (OP) polarization parallel to the poling field. 71° polarization switching is more favorable, with the area percentages of 71°, 109° and 180° domain switching being about 42%, 29% and 29%, respectively. Our analysis further reveals that IP stress and charge migration have comparable effect on switching, and they are sensitive to the geometric arrangements. This work helps exploring a route to control polarization switching in BiFeO3, so as to realize desirable magnetoelectric coupling.

Surface properties of atomically flat poly-crystalline SrTiO3

PubMed Central

Woo, Sungmin; Jeong, Hoidong; Lee, Sang A.; Seo, Hosung; Lacotte, Morgane; David, Adrian; Kim, Hyun You; Prellier, Wilfrid; Kim, Yunseok; Choi, Woo Seok

2015-01-01

Comparison between single- and the poly-crystalline structures provides essential information on the role of long-range translational symmetry and grain boundaries. In particular, by comparing single- and poly-crystalline transition metal oxides (TMOs), one can study intriguing physical phenomena such as electronic and ionic conduction at the grain boundaries, phonon propagation, and various domain properties. In order to make an accurate comparison, however, both single- and poly-crystalline samples should have the same quality, e.g., stoichiometry, crystallinity, thickness, etc. Here, by studying the surface properties of atomically flat poly-crystalline SrTiO3 (STO), we propose an approach to simultaneously fabricate both single- and poly-crystalline epitaxial TMO thin films on STO substrates. In order to grow TMOs epitaxially with atomic precision, an atomically flat, single-terminated surface of the substrate is a prerequisite. We first examined (100), (110), and (111) oriented single-crystalline STO surfaces, which required different annealing conditions to achieve atomically flat surfaces, depending on the surface energy. A poly-crystalline STO surface was then prepared at the optimum condition for which all the domains with different crystallographic orientations could be successfully flattened. Based on our atomically flat poly-crystalline STO substrates, we envision expansion of the studies regarding the TMO domains and grain boundaries. PMID:25744275

Cooperative nucleation modes in polycrystalline CoxPd1-x nanowires

NASA Astrophysics Data System (ADS)

Viqueira, M. S.; Pozo-López, G.; Urreta, S. E.; Condó, A. M.; Cornejo, D. R.; Fabietti, L. M.

2015-05-01

Polycrystalline CoxPd1-x (x = 1, 0.60, 0.45, 0.23, and 0.11) cylindrical nanowires (ø = 18-35 nm, about 1 μm length) are produced by AC electrodeposition into hexagonally ordered alumina pores. Single-phase nanowires of an fcc Co-Pd solid solution, with randomly oriented equiaxed grains (7-12 nm) are obtained; in all the cases, the grain size is smaller than the wire diameter. The coercive field and the reduced remanence of Co-rich nanowire arrays are hardly sensitive to temperature within the range varying from 4 K to 300 K. On the other hand, in Pd-rich nanowires both magnitudes are smaller and they largely increase when cooling below 100 K. This behavior also depends on the mean grain size. These facts are systematized considering two main aspects: the non-trivial temperature and composition dependence of the crystalline anisotropy and the saturation magnetostriction in Co-Pd alloys; and a random anisotropy effect, which defines a nucleation localization length that may involve more than a single grain, and thus promotes more cooperative nucleation modes.

Mechanism of calcite co-orientation in the sea urchin tooth.

PubMed

Killian, Christopher E; Metzler, Rebecca A; Gong, Y U T; Olson, Ian C; Aizenberg, Joanna; Politi, Yael; Wilt, Fred H; Scholl, Andreas; Young, Anthony; Doran, Andrew; Kunz, Martin; Tamura, Nobumichi; Coppersmith, Susan N; Gilbert, P U P A

2009-12-30

Sea urchin teeth are remarkable and complex calcite structures, continuously growing at the forming end and self-sharpening at the mature grinding tip. The calcite (CaCO(3)) crystals of tooth components, plates, fibers, and a high-Mg polycrystalline matrix, have highly co-oriented crystallographic axes. This ability to co-orient calcite in a mineralized structure is shared by all echinoderms. However, the physico-chemical mechanism by which calcite crystals become co-oriented in echinoderms remains enigmatic. Here, we show differences in calcite c-axis orientations in the tooth of the purple sea urchin ( Strongylocentrotus purpuratus ), using high-resolution X-ray photoelectron emission spectromicroscopy (X-PEEM) and microbeam X-ray diffraction (muXRD). All plates share one crystal orientation, propagated through pillar bridges, while fibers and polycrystalline matrix share another orientation. Furthermore, in the forming end of the tooth, we observe that CaCO(3) is present as amorphous calcium carbonate (ACC). We demonstrate that co-orientation of the nanoparticles in the polycrystalline matrix occurs via solid-state secondary nucleation, propagating out from the previously formed fibers and plates, into the amorphous precursor nanoparticles. Because amorphous precursors were observed in diverse biominerals, solid-state secondary nucleation is likely to be a general mechanism for the co-orientation of biomineral components in organisms from different phyla.

Quantitative analysis of domain texture in polycrystalline barium titanate by polarized Raman microprobe spectroscopy

NASA Astrophysics Data System (ADS)

Sakashita, Tatsuo; Chazono, Hirokazu; Pezzotti, Giuseppe

2007-12-01

A quantitative determination of domain distribution in polycrystalline barium titanate (BaTiO3, henceforth BT) ceramics has been pursued with the aid of a microprobe polarized Raman spectrometer. The crystallographic texture and domain orientation distribution of BT ceramics, which switched upon applying stress according to ferroelasticity principles, were determined from the relative intensity of selected phonon modes, taking into consideration a theoretical analysis of the angular dependence of phonon mode intensity for the tetragonal BT phase. Furthermore, the angular dependence of Raman intensity measured in polycrystalline BT depended on the statistical distribution of domain angles in the laser microprobe, which was explicitly taken into account in this work for obtaining a quantitative analysis of domain orientation for in-plane textured BT polycrystalline materials.

Magnetorheological finishing of chemical-vapor deposited zinc sulfide via chemically and mechanically modified fluids

DOE PAGES

Salzman, Sivan; Romanofsky, Henry J.; Giannechini, Lucca J.; ...

2016-02-19

In this study, we describe the anisotropy in the material removal rate (MRR) of the polycrystalline, chemical-vapor deposited zinc sulfide (ZnS).We define the polycrystalline anisotropy via microhardness and chemical erosion tests for four crystallographic orientations of ZnS: (100), (110), (111), and (311). Anisotropy in the MRR was studied under magnetorheological finishing (MRF) conditions. Three chemically and mechanically modified magnetorheological (MR) fluids at pH values of 4, 5, and 6 were used to test the MRR variations among the four single-crystal planes. When polishing the single-crystal planes and the polycrystalline with pH 5 and pH 6MR fluids, variations were found inmore » the MRR among the four single-crystal planes and surface artifacts were observed on the polycrystalline material. When polishing the single-crystal planes and the polycrystalline with the modified MR fluid at pH 4, however, minimal variation was observed in the MRR among the four orientations and a reduction in surface artifacts was achieved on the polycrystalline material.« less

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

Killian, Christopher; Metzler, Rebecca; Gong, Y. U. T.

Sea urchin teeth are remarkable and complex calcite structures, continuously growing at the forming end and self-sharpening at the mature grinding tip. The calcite (CaCO{sub 3}) crystals of tooth components, plates, fibers, and a high-Mg polycrystalline matrix, have highly co-oriented crystallographic axes. This ability to co-orient calcite in a mineralized structure is shared by all echinoderms. However, the physico-chemical mechanism by which calcite crystals become co-oriented in echinoderms remains enigmatic. Here, we show differences in calcite c-axis orientations in the tooth of the purple sea urchin (Strongylocentrotus purpuratus), using high-resolution X-ray photoelectron emission spectromicroscopy (X-PEEM) and microbeam X-ray diffraction ({mu}XRD).more » All plates share one crystal orientation, propagated through pillar bridges, while fibers and polycrystalline matrix share another orientation. Furthermore, in the forming end of the tooth, we observe that CaCO{sub 3} is present as amorphous calcium carbonate (ACC). We demonstrate that co-orientation of the nanoparticles in the polycrystalline matrix occurs via solid-state secondary nucleation, propagating out from the previously formed fibers and plates, into the amorphous precursor nanoparticles. Because amorphous precursors were observed in diverse biominerals, solid-state secondary nucleation is likely to be a general mechanism for the co-orientation of biomineral components in organisms from different phyla.« less

Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals

NASA Astrophysics Data System (ADS)

Martínez-González, Jose A.; Li, Xiao; Sadati, Monirosadat; Zhou, Ye; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-06-01

Chiral nematic liquid crystals are known to form blue phases--liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation over large regions. These results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.

Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K0.5Bi0.5TiO3-BaTiO3-Na0.5Bi0.5TiO3 piezoelectric materials

PubMed Central

Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

2015-01-01

We synthesized grain-oriented lead-free piezoelectric materials in (K0.5Bi0.5TiO3-BaTiO3-xNa0.5Bi0.5TiO3 (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d33 ~ 190pC/N) and high temperature stability (~160°C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180° domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectric materials. PMID:25716551

Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K₀̣₅Bi₀̣₅TiO₃-BaTiO₃-Na₀̣₅Bi₀̣₅TiO₃ piezoelectric materials

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

Maurya, Deepam; Zhou, Yuan; Wang, Yaojin

2015-02-26

We synthesized grain-oriented lead-free piezoelectric materials in (K₀̣₅Bi₀̣₅TiO₃-BaTiO₃-xNa₀̣₅Bi₀̣₅TiO₃ (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d₃₃ ~ 190pC/N) and high temperature stability (~160°C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180° domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectricmore » materials.« less

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.

The effective magnetoelectric coefficients of polycrystalline Cr2O3 annealed in perpendicular electric and magnetic fields

NASA Astrophysics Data System (ADS)

Liu, Y. Y.; Xie, S. H.; Jin, G.; Li, J. Y.

2009-04-01

Magnetoelectric annealing is necessary to remove antiferromagnetic domains and induce macroscopic magnetoelectric effect in polycrystalline magnetoelectric materials, and in this paper, we study the effective magnetoelectric properties of perpendicularly annealed polycrystalline Cr2O3 using effective medium approximation. The effect of temperatures, grain aspect ratios, and two different types of orientation distribution function have been analyzed, and unusual material symmetry is observed when the orientation distribution function only depends on Euler angle ψ. Optimal grain aspect ratio and texture coefficient are also identified. The approach can be applied to analyze the microstructural field distribution and macroscopic properties of a wide range of magnetoelectric polycrystals.

Directed Self-Assembly of Liquid Crystalline Blue-Phases into Ideal Single-Crystals

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

Martinez-Gonzalez, Jose A.; Li, Xiao; Sadati, Monirosadat

Chiral nematic liquid crystals are known to form blue phases—liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation overmore » large regions. Lastly, these results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.« less

Directed Self-Assembly of Liquid Crystalline Blue-Phases into Ideal Single-Crystals

DOE PAGES

Martinez-Gonzalez, Jose A.; Li, Xiao; Sadati, Monirosadat; ...

2017-06-16

Chiral nematic liquid crystals are known to form blue phases—liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation overmore » large regions. Lastly, these results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.« less

Thermal fatigue resistance of NASA WAZ-20 alloy with three commercial coatings

NASA Technical Reports Server (NTRS)

Bizon, P. T.; Oldrieve, R. E.

1975-01-01

Screening tests using three commercial coatings (Jocoat, HI-15, and RT-1A) on the nickel-base alloy NASA WAZ-20 were performed by cyclic exposure in a Mach 1 burner facility. These tests showed Jocoated WAZ-20 to have the best cracking resistance. The thermal fatigue resistance of Jocoated WAZ-20 in both the random polycrystalline and directionally solidified polycrystalline forms relative to that of other superalloys was then evaluated in a fluidized-bed facility. This investigation showed that Jocoated random polycrystalline WAZ-20 ranked approximately in midrange in thermal fatigue life. The thermal fatigue life of directionally solidified Jocoated WAZ-20 was shorter than that of other directionally solidified alloys but still longer than that of all alloys in the random polycrystalline form.

Nanoscale Surface Modification of Polycrystalline Tin Sulphide Films during Plasma Treatment

NASA Astrophysics Data System (ADS)

Zimin, S. P.; Gorlachev, E. S.; Dubov, G. A.; Amirov, I. I.; Naumov, V. V.; Gremenok, V. F.; Ivanov, V. A.; Seidi, H. G.

2013-05-01

In this paper, we present a comparative research of the nanoscale modification of the surface morphology of polycrystalline SnS films on glass substrates with two different preferred growth orientations processed in inductively coupled argon plasma. We report a new effect of polycrystalline SnS film surface smoothing during plasma treatment, which can be advantageous for the fabrication of multilayer solar cell devices with SnS absorption layers.

Macroscopic damping model for structural dynamics with random polycrystalline configurations

NASA Astrophysics Data System (ADS)

Yang, Yantao; Cui, Junzhi; Yu, Yifan; Xiang, Meizhen

2018-06-01

In this paper the macroscopic damping model for dynamical behavior of the structures with random polycrystalline configurations at micro-nano scales is established. First, the global motion equation of a crystal is decomposed into a set of motion equations with independent single degree of freedom (SDOF) along normal discrete modes, and then damping behavior is introduced into each SDOF motion. Through the interpolation of discrete modes, the continuous representation of damping effects for the crystal is obtained. Second, from energy conservation law the expression of the damping coefficient is derived, and the approximate formula of damping coefficient is given. Next, the continuous damping coefficient for polycrystalline cluster is expressed, the continuous dynamical equation with damping term is obtained, and then the concrete damping coefficients for a polycrystalline Cu sample are shown. Finally, by using statistical two-scale homogenization method, the macroscopic homogenized dynamical equation containing damping term for the structures with random polycrystalline configurations at micro-nano scales is set up.

Microstructure and photovoltaic performance of polycrystalline silicon thin films on temperature-stable ZnO:Al layers

NASA Astrophysics Data System (ADS)

Becker, C.; Ruske, F.; Sontheimer, T.; Gorka, B.; Bloeck, U.; Gall, S.; Rech, B.

2009-10-01

Polycrystalline silicon (poly-Si) thin films have been prepared by electron-beam evaporation and thermal annealing for the development of thin-film solar cells on glass coated with ZnO:Al as a transparent, conductive layer. The poly-Si microstructure and photovoltaic performance were investigated as functions of the deposition temperature by Raman spectroscopy, scanning and transmission electron microscopies including defect analysis, x-ray diffraction, external quantum efficiency, and open circuit measurements. It is found that two temperature regimes can be distinguished: Poly-Si films fabricated by deposition at low temperatures (Tdep<400 °C) and a subsequent thermal solid phase crystallization step exhibit 1-3 μm large, randomly oriented grains, but a quite poor photovoltaic performance. However, silicon films deposited at higher temperatures (Tdep>400 °C) directly in crystalline phase reveal columnar, up to 300 nm big crystals with a strong ⟨110⟩ orientation and much better solar cell parameters. It can be concluded from the results that the electrical quality of the material, reflected by the open circuit voltage of the solar cell, only marginally depends on crystal size and shape but rather on the intragrain properties of the material. The carrier collection, described by the short circuit current of the cell, seems to be positively influenced by preferential ⟨110⟩ orientation of the grains. The correlation between experimental, microstructural, and photovoltaic parameters will be discussed in detail.

Growth of oriented polycrystalline α-HgI 2 films by ultrasonic-wave-assisted physical vapor deposition

NASA Astrophysics Data System (ADS)

Yang, Weiguang; Nie, Lei; Li, Dongmei; Wang, Yali; Zhou, Jie; Ma, Lei; Wang, Zhenhua; Shi, Weimin

2011-06-01

Polycrystalline α-HgI 2 thick films have been grown on ITO-coated glass substrates using ultrasonic-wave-assisted vapor phase deposition (UWAVPD) with the different source temperatures and ultrasonic frequencies. The influence of the assisted ultrasonic wave and source temperature on the structural and electrical properties of the polycrystalline α-HgI 2 films is investigated. It is found that the assisted ultrasonic wave plays an important role in the improvement of the structural and electrical properties. An uniformly oriented polycrystalline α-HgI 2 film with clear facets and narrow size distribution can be obtained at the source temperature of 80 °C under the assistance of 59 KHz ultrasonic frequency with the ultrasonic power of 200 W, which has the lowest value of ρ=2.2×10 12 Ω cm for E-field parallel to c-axis, approaching to that of high quality α-HgI 2 single crystals (4.0×10 12 Ω cm).

A laboratory based system for laue micro x-ray diffraction.

PubMed

Lynch, P A; Stevenson, A W; Liang, D; Parry, D; Wilkins, S; Tamura, N

2007-02-01

A laboratory diffraction system capable of illuminating individual grains in a polycrystalline matrix is described. Using a microfocus x-ray source equipped with a tungsten anode and prefigured monocapillary optic, a micro-x-ray diffraction system with a 10 microm beam was developed. The beam profile generated by the ellipsoidal capillary was determined using the "knife edge" approach. Measurement of the capillary performance, indicated a beam divergence of 14 mrad and a useable energy bandpass from 5.5 to 19 keV. Utilizing the polychromatic nature of the incident x-ray beam and application of the Laue indexing software package X-Ray Micro-Diffraction Analysis Software, the orientation and deviatoric strain of single grains in a polycrystalline material can be studied. To highlight the system potential the grain orientation and strain distribution of individual grains in a polycrystalline magnesium alloy (Mg 0.2 wt % Nd) was mapped before and after tensile loading. A basal (0002) orientation was identified in the as-rolled annealed alloy; after tensile loading some grains were observed to undergo an orientation change of 30 degrees with respect to (0002). The applied uniaxial load was measured as an increase in the deviatoric tensile strain parallel to the load axis.

Fabrication of biaxially oriented YBCO on (001) biaxially oriented yttria-stabilized-zirconia on polycrystalline substrates

NASA Astrophysics Data System (ADS)

Arendt, P.; Foltyn, S.; Wu, Xin Di; Townsend, J.; Adams, C.; Hawley, M.; Tiwari, P.; Maley, M.; Willis, J.; Moseley, D.

Ion-assisted, ion-beam sputter deposition is used to obtain (001) biaxially oriented films of cubic yttria stabilized zirconia (YSZ) on polycrystalline metal substrates. Yttrium barium copper oxide (YBCO) is then heteroepitaxially pulse laser deposited onto the YSZ. Phi scans of the films show the full-width-half maxima of the YSZ (202) and the YBCO (103) reflections to be 14 deg and 10 deg, respectively. Our best dc transport critical current density measurement for the YBCO is 800,000 A/sq cm at 75 K and 0 T. At 75 K, the total dc transport current in a 1 cm wide YBCO film is 23 A.

Centimetre-scale micropore alignment in oriented polycrystalline metal-organic framework films via heteroepitaxial growth.

PubMed

Falcaro, Paolo; Okada, Kenji; Hara, Takaaki; Ikigaki, Ken; Tokudome, Yasuaki; Thornton, Aaron W; Hill, Anita J; Williams, Timothy; Doonan, Christian; Takahashi, Masahide

2017-03-01

The fabrication of oriented, crystalline films of metal-organic frameworks (MOFs) is a critical step toward their application to advanced technologies such as optics, microelectronics, microfluidics and sensing. However, the direct synthesis of MOF films with controlled crystalline orientation remains a significant challenge. Here we report a one-step approach, carried out under mild conditions, that exploits heteroepitaxial growth for the rapid fabrication of oriented polycrystalline MOF films on the centimetre scale. Our methodology employs crystalline copper hydroxide as a substrate and yields MOF films with oriented pore channels on scales that primarily depend on the dimensions of the substrate. To demonstrate that an anisotropic crystalline morphology can translate to a functional property, we assembled a centimetre-scale MOF film in the presence of a dye and showed that the optical response could be switched 'ON' or 'OFF' by simply rotating the film.

Optical parametric oscillation in a random poly-crystalline medium: ZnSe ceramic

NASA Astrophysics Data System (ADS)

Ru, Qitian; Kawamori, Taiki; Lee, Nathaniel; Chen, Xuan; Zhong, Kai; Mirov, Mike; Vasilyev, Sergey; Mirov, Sergey B.; Vodopyanov, Konstantin L.

2018-02-01

We demonstrate an optical parametric oscillator (OPO) based on random phase matching in a polycrystalline χ(2) material, ZnSe. The subharmonic OPO utilized a 1.5-mm-long polished ZnSe ceramic sample placed at the Brewster's angle and was synchronously pumped by a Kerr-lens mode-locked Cr:ZnS laser with a central wavelength of 2.35 μm, a pulse duration of 62 fs, and a repetition frequency of 79 MHz. The OPO had a 90-mW pump threshold, and produced an ultrabroadband spectrum spanning 3-7.5 μm. The observed pump depletion was as high as 79%. The key to success in achieving the OPO action was choosing the average grain size of the ZnSe ceramic to be close to the coherence length ( 100 μm) for our 3-wave interaction. This is the first OPO that uses random polycrystalline material with quadratic nonlinearity and the first OPO based on ZnSe. Very likely, random phase matching in ZnSe and similar random polycrystalline materials (ZnS, CdS, CdSe, GaP) represents a viable route for generating few-cycle pulses and multi-octave frequency combs, thanks to a very broadband nonlinear response.

Crystallization behavior of amorphous indium-gallium-zinc-oxide films and its effects on thin-film transistor performance

NASA Astrophysics Data System (ADS)

Suko, Ayaka; Jia, JunJun; Nakamura, Shin-ichi; Kawashima, Emi; Utsuno, Futoshi; Yano, Koki; Shigesato, Yuzo

2016-03-01

Amorphous indium-gallium-zinc oxide (a-IGZO) films were deposited by DC magnetron sputtering and post-annealed in air at 300-1000 °C for 1 h to investigate the crystallization behavior in detail. X-ray diffraction, electron beam diffraction, and high-resolution electron microscopy revealed that the IGZO films showed an amorphous structure after post-annealing at 300 °C. At 600 °C, the films started to crystallize from the surface with c-axis preferred orientation. At 700-1000 °C, the films totally crystallized into polycrystalline structures, wherein the grains showed c-axis preferred orientation close to the surface and random orientation inside the films. The current-gate voltage (Id-Vg) characteristics of the IGZO thin-film transistor (TFT) showed that the threshold voltage (Vth) and subthreshold swing decreased markedly after the post-annealing at 300 °C. The TFT using the totally crystallized films also showed the decrease in Vth, whereas the field-effect mobility decreased considerably.

Cluster glass induced exchange biaslike effect in the perovskite cobaltites

NASA Astrophysics Data System (ADS)

Luo, Wanju; Wang, Fangwei

2007-04-01

Exchange biaslike phenomenon is observed in the Ba doped perovskite polycrystalline LaCoO3. The magnetic hysteresis loop shifts in both horizontal and vertical directions at 5K when the samples are cooled down to 5K in a magnetic field. The nature of this magnetic anisotropy is ascribed to the freezing properties of the local anisotropy in the cluster glass system. The magnetic shifts in horizontal and vertical directions can be derived directly under the principle that the spins of a cluster are frozen in random orientations and aligned to the field direction upon zero field and field cooling, respectively.

Constitutive Modeling of Superalloy Single Crystals and Directionally Solidified Materials

NASA Technical Reports Server (NTRS)

Walker, K. P.; Jordan, E. H.

1985-01-01

A unified viscoplastic constitutive relation based on crystallographic slip theory was developed for the deformation analysis of nickel base face centered cubic superalloy single crystals at elevated temperature. The single crystal theory is embedded in a self consistent method to derive a constitutive relation for a directionally solidified material comprised of a polycrystalline aggregate of columnar cylindrical grains. One of the crystallographic axes of the cylindrical crystals points in the columnar direction while the remaining crystallographic axes are oriented at random in the basal plane perpendicular to the columnar direction. These constitutive formulations are coded in FORTRAN for use in nonlinear finite element and boundary element programs.

Orientational tomography of optical axes directions distributions of multilayer biological tissues birefringent polycrystalline networks

NASA Astrophysics Data System (ADS)

Zabolotna, Natalia I.; Dovhaliuk, Rostyslav Y.

2013-09-01

We present a novel measurement method of optic axes orientation distribution which uses a relatively simple measurement setup. The principal difference of our method from other well-known methods lies in direct approach for measuring the orientation of optical axis of polycrystalline networks biological crystals. Our test polarimetry setup consists of HeNe laser, quarter wave plate, two linear polarizers and a CCD camera. We also propose a methodology for processing of measured optic axes orientation distribution which consists of evaluation of statistical, correlational and spectral moments. Such processing of obtained data can be used to classify particular tissue sample as "healthy" or "pathological". For our experiment we use thin layers of histological section of normal and muscular dystrophy tissue sections. It is shown that the difference between mentioned moments` values of normal and pathological samples can be quite noticeable with relative difference up to 6.26.

Interface layer to tailor the texture and surface morphology of Al-doped ZnO polycrystalline films on glass substrates

NASA Astrophysics Data System (ADS)

Nomoto, Junichi; Inaba, Katsuhiko; Kobayashi, Shintaro; Makino, Hisao; Yamamoto, Tetsuya

2017-06-01

A 10-nm-thick radio frequency magnetron-sputtered aluminum-doped zinc oxide (AZO) showing a texture with a preferential (0001) orientation on amorphous glass substrates was used as an interface layer for tailoring the orientation of 490-nm-thick polycrystalline AZO films subsequently deposited by direct current (DC) magnetron sputtering at a substrate temperature of 200 °C. Wide-angle X-ray diffraction pole figure analysis showed that the resulting 500-nm-thick AZO films showed a texture with a highly preferential c-axis orientation. This showed that DC-magnetron-sputtered AZO films grew along with the orientation matching that of the interface layer, whereas 500-nm-thick AZO films deposited on bare glass substrates by DC magnetron sputtering exhibited a mixed orientation of the c-plane and other planes. The surface morphology was also improved while retaining the lateral grain size by applying the interface layer as revealed by atomic force microscopy.

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

Melo, M.; Araújo, E. B., E-mail: eudes@dfq.feis.unesp.br; Shvartsman, V. V.

Polycrystalline lanthanum lead zirconate titanate (PLZT) thin films were deposited on Pt/TiO{sub 2}/SiO{sub 2}/Si substrates to study the effects of the thickness and grain size on their structural and piezoresponse properties at nanoscale. Thinner PLZT films show a slight (100)-orientation tendency that tends to random orientation for the thicker film, while microstrain and crystallite size increases almost linearly with increasing thickness. Piezoresponse force microscopy and autocorrelation function technique were used to demonstrate the existence of local self-polarization effect and to study the thickness dependence of correlation length. The obtained results ruled out the bulk mechanisms and suggest that Schottky barriersmore » near the film-substrate are likely responsible for a build-in electric field in the films. Larger correlation length evidence that this build-in field increases the number of coexisting polarization directions in larger grains leading to an alignment of macrodomains in thinner films.« less

Stress dependence of the Raman spectrum of polycrystalline barium titanate in presence of localized domain texture

NASA Astrophysics Data System (ADS)

Sakashita, Tatsuo; Deluca, Marco; Yamamoto, Shinsuke; Chazono, Hirokazu; Pezzotti, Giuseppe

2007-06-01

The stress dependence of the Raman spectrum of polycrystalline barium titanate (BaTiO3, BT) ceramics has been examined with microprobe polarized Raman spectroscopy. The angular dependence of the Raman spectrum of the tetragonal BT crystal has been theoretically established, enabling us to assess the stress dependence of selected spectral modes without the influence of crystallographic domain orientation. Upon considering the frequency shift of selected Raman modes as a function of orientation between the crystallographic axis and the polarization vector of incident and scattered light, a suitable instrumental configuration has been selected, which allowed a direct residual stress measurement according to a modified piezospectroscopic procedure. The analysis is based on the selection of mixed photostimulated spectral modes in two perpendicular angular orientations.

Interface spins in polycrystalline FeMn/Fe bilayers with small exchange bias

NASA Astrophysics Data System (ADS)

Pires, M. J. M.

2018-04-01

The magnetic moments at the interface between ferromagnetic and antiferromagnetic layers play a central role in exchange biased systems, but their behavior is still not completely understood. In this work, the FeMn/Fe interface in polycrystalline thin films has been studied using conversion electron Mössbauer spectroscopy (CEMS), magneto-optic Kerr effect (MOKE) and micromagnetic simulations. Samples were prepared with 57Fe layers at two distinct depths in order to probe the interface and bulk behaviors. At the equilibrium, the interface moments are randomly oriented while the bulk of the Fe layer has an in-plane magnetic anisotropy. Several models for the interface and anisotropies of the layers were used in the simulations of spin configurations and hysteresis loops. From the whole set of simulations, one can conclude the direct analysis of hysteresis curves is not enough to infer whether the interface has a configuration with spins tilted out of the film plane at equilibrium since different choices of parameters provide similar curves. The simulations have also shown the occurrence of spin clusters at the interface is compatible with CEMS and MOKE measurements.

Quasi van der Waals epitaxy of copper thin film on single-crystal graphene monolayer buffer

NASA Astrophysics Data System (ADS)

Lu, Zonghuan; Sun, Xin; Washington, Morris A.; Lu, Toh-Ming

2018-03-01

Quasi van der Waals epitaxial growth of face-centered cubic Cu (~100 nm) thin films on single-crystal monolayer graphene is demonstrated using thermal evaporation at an elevated substrate temperature of 250 °C. The single-crystal graphene was transferred to amorphous (glass) and crystalline (quartz) SiO2 substrates for epitaxy study. Raman analysis showed that the thermal evaporation method had minimal damage to the graphene lattice during the Cu deposition. X-ray diffraction and electron backscatter diffraction analyses revealed that both Cu films are single-crystal with (1 1 1) out-of-plane orientation and in-plane Σ3 twin domains of 60° rotation. The crystallinity of the SiO2 substrates has a negligible effect on the Cu crystal orientation during the epitaxial growth, implying the strong screening effect of graphene. We also demonstrate the epitaxial growth of polycrystalline Cu on a commercial polycrystalline monolayer graphene consisting of two orientation domains offset 30° to each other. It confirms that the crystal orientation of the epitaxial Cu film follows that of graphene, i.e. the Cu film consists of two orientation domains offset 30° to each other when deposited on polycrystalline graphene. Finally, on the contrary to the report in the literature, we show that the direct current and radio frequency flip sputtering method causes significant damage to the graphene lattice during the Cu deposition process, and therefore neither is a suitable method for Cu epitaxial growth on graphene.

Carbon Materials Research

DTIC Science & Technology

2006-08-01

carbon would be highly oriented pyrolytic graphite ( HOPG ), which is formed by depositing one atom at a time on a surface utilizing the pyrolysis of a... of the crystallites, and baking to 2800 K produces a polycrystalline graphite part that has high strength and conductivity. To make isotropic...pitch fibers) or flexible (Graphoil®), as well as anisotropic ( HOPG ) or isotropic ( polycrystalline graphite ). In addition, porosity, lubricity

The contribution of grain boundary and defects to the resistivity in the ferromagnetic state of polycrystalline manganites

NASA Astrophysics Data System (ADS)

Sagdeo, P. R.; Anwar, Shahid; Lalla, N. P.; Patil, S. I.

2006-11-01

In the present study we report the precise resistivity measurements for the polycrystalline bulk sample as well as highly oriented thin-films of La 0.8Ca 0.2MnO 3. The poly crystalline sample was prepared by standard solid-state reaction route and the oriented thin film was prepared by pulsed laser deposition (PLD). The phase purity of these samples was confirmed by X-ray diffraction and the back-scattered electron imaging using scanning electron microscopy (SEM). The oxygen stoichiometry analysis was done by iodimetry titration. The resistivities of these samples were carried out with four-probe resistivity measurement setup. The observed temperature dependence of resistivity data for both the samples was fitted using the polaron model. We have found that polaronic model fits well with the experimental data of both polycrystalline and single crystal samples. A new phenomenological model is proposed and used to estimate contribution to the resistivity due to grain boundary in the ferromagnetic state of polycrystalline manganites and it has been shown that the scattering of electrons from the grain boundary (grain surface) is a function of temperature and controlled by the effective grain resistance at that temperature.

Modelling heat conduction in polycrystalline hexagonal boron-nitride films

PubMed Central

Mortazavi, Bohayra; Pereira, Luiz Felipe C.; Jiang, Jin-Wu; Rabczuk, Timon

2015-01-01

We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size on the thermal conductivity of polycrystalline h-BN films at various temperatures. Using the EMD results, we constructed finite element models of polycrystalline h-BN sheets to probe the thermal conductivity of samples with larger grain sizes. Our multiscale investigations not only provide a general viewpoint regarding the heat conduction in h-BN films but also propose that polycrystalline h-BN sheets present high thermal conductivity comparable to monocrystalline sheets. PMID:26286820

Superconducting MgB2 films via precursor postprocessing approach

NASA Astrophysics Data System (ADS)

Paranthaman, M.; Cantoni, C.; Zhai, H. Y.; Christen, H. M.; Aytug, T.; Sathyamurthy, S.; Specht, E. D.; Thompson, J. R.; Lowndes, D. H.; Kerchner, H. R.; Christen, D. K.

2001-06-01

Superconducting MgB2 films with Tc=38.6 K were prepared using a precursor-deposition, ex situ postprocessing approach. Precursor films of boron, ˜0.5 μm thick, were deposited onto Al2O3 (102) substrates by electron-beam evaporation; a postanneal at 890 °C in the presence of bulk MgB2 and Mg metal produced highly crystalline MgB2 films. X-ray diffraction indicated that the films exhibit some degree of c-axis alignment, but are randomly oriented in plane. Transport current measurements of the superconducting properties show high values of the critical current density and yield an irreversibility line that exceeds that determined by magnetic measurements on bulk polycrystalline materials.

Effects of crystalline quality and electrode material on fatigue in Pb(Zr,Ti)O3 thin film capacitors

NASA Astrophysics Data System (ADS)

Lee, J.; Johnson, L.; Safari, A.; Ramesh, R.; Sands, T.; Gilchrist, H.; Keramidas, V. G.

1993-07-01

Pb(Zr(0.52)Ti(0.48))O3 (PZT)/Y1Ba2Cu3O(x) (YBCO) heterostructures were grown by pulsed laser deposition, in which PZT films were epitaxial, highly oriented, or polycrystalline. These PZT films were obtained by varying the deposition temperature from 550 to 760 C or by using various substrates such as SrTiO3 (100), MgO (100), and r-plane sapphire. PZT films with Pt top electrodes exhibited large fatigue with 35-50 percent loss of the remanent polarization after 10 exp 9 cycles, depending on the crystalline quality. Polycrystalline films showed better fatigue resistance than epitaxial or highly oriented films. However, PZT films with both top and bottom YBCO electrodes had significantly improved fatigue resistance for both epitaxial and polycrystalline films. Electrode material seems to be a more important parameter in fatigue than the crystalline quality of the PZT films.

Origins of Folding Instabilities on Polycrystalline Metal Surfaces

NASA Astrophysics Data System (ADS)

Beckmann, N.; Romero, P. A.; Linsler, D.; Dienwiebel, M.; Stolz, U.; Moseler, M.; Gumbsch, P.

2014-12-01

Wear and removal of material from polycrystalline metal surfaces is inherently connected to plastic flow. Here, plowing-induced unconstrained surface plastic flow on a nanocrystalline copper surface has been studied by massive molecular dynamics simulations and atomic force microscopy scratch experiments. In agreement with experimental findings, bulges in front of a model asperity develop into vortexlike fold patterns that mark the disruption of laminar flow. We identify dislocation-mediated plastic flow in grains with suitably oriented slip systems as the basic mechanism of bulging and fold formation. The observed folding can be fundamentally explained by the inhomogeneity of plasticity on polycrystalline surfaces which favors bulge formation on grains with suitably oriented slip system. This process is clearly distinct from Kelvin-Helmholtz instabilities in fluids, which have been previously suggested to resemble the formed surface fold patterns. The generated prow grows into a rough chip with stratified lamellae that are identified as the precursors of wear debris. Our findings demonstrate the importance of surface texture and grain structure engineering to achieve ultralow wear in metals.

Fabrication and Evaluation of One-Axis Oriented Lead Zirconate Titanate Films Using Metal-Oxide Nanosheet Interface Layer

NASA Astrophysics Data System (ADS)

Minemura, Yoshiki; Nagasaka, Kohei; Kiguchi, Takanori; Konno, Toyohiko J.; Funakubo, Hiroshi; Uchida, Hiroshi

2013-09-01

Nanosheet Ca2Nb3O20 (ns-CN) layers with pseudo-perovskite-type crystal configuration were applied on the surface of polycrystalline metal substrates to achieve preferential crystal orientation of Pb(Zr,Ti)O3 (PZT) films for the purpose of enhanced ferroelectricity comparable to that of epitaxial thin films. PZT films with tetragonal symmetry (Zr/Ti=0.40:0.60) were fabricated by chemical solution deposition (CSD) on ns-CN-buffered Inconel 625 and SUS 316L substrates, while ns-CN was applied on the the substrates by dip-coating. The preferential crystal growth on the ns-CN layer can be achieved by favorable lattice matching between (001)/(100)PZT and (001)ns-CN planes. The degree of (001) orientation was increased for PZT films on ns-CN/Inconel 625 and ns-CN/SUS 316L substrates, whereas randomly-oriented PZT films with a lower degree of (001) orientation were grown on bare and Inconel 625 films. Enhanced remanent polarization of 60 µC/cm2 was confirmed for the PZT films on ns-CN/metal substrates, ascribed to the preferential alignment of the polar [001] axis normal to the substrate surface, although it also suffered from higher coercive field above 500 kV/cm caused by PZT/metal interfacial reaction.

Zeeman perturbed nuclear quadrupole spin echo envelope modulations for spin 3/2 nuclei in polycrystalline specimens

NASA Astrophysics Data System (ADS)

Ramachandran, R.; Narasimhan, P. T.

The results of theoretical and experimental studies of Zeeman-perturbed nuclear quadrupole spin echo envelope modulations (ZSEEM) for spin 3/2 nuclei in polycrystalline specimens are presented. The response of the Zeeman-perturbed spin ensemble to resonant two pulse excitations has been calculated using the density matrix formalism. The theoretical calculation assumes a parallel orientation of the external r.f. and static Zeeman fields and an arbitrary orientation of these fields to the principal axes system of the electric field gradient. A numerical powder averaging procedure has been adopted to simulate the response of the polycrystalline specimens. Using a coherent pulsed nuclear quadrupole resonance spectrometer the ZSEEM patterns of the 35Cl nuclei have been recorded in polycrystalline specimens of potassium chlorate, barium chlorate, mercuric chloride (two sites) and antimony trichloride (two sites) using the π/2-τ-π/2 sequence. The theoretical and experimental ZSEEM patterns have been compared. In the case of mercuric chloride, the experimental 35Cl ZSEEM patterns are found to be nearly identical for the two sites and correspond to a near-zero value of the asymmetry parameter, η, of the electric field gradient tensor. The difference in the η values for the two 35Cl sites (η ˜0·06 and η˜0·16) in antimony trichloride is clearly reflected in the experimental and theoretical ZSEEM patterns. The present study indicates the feasibility of evaluating η for spin 3/2 nuclei in polycrystalline specimens from ZSEEM investigations.

High-Hall-Mobility Al-Doped ZnO Films Having Textured Polycrystalline Structure with a Well-Defined (0001) Orientation

NASA Astrophysics Data System (ADS)

Nomoto, Junichi; Makino, Hisao; Yamamoto, Tetsuya

2016-06-01

Five hundred-nanometer-thick ZnO-based textured polycrystalline films consisting of 490-nm-thick Al-doped ZnO (AZO) films deposited on 10-nm-thick Ga-doped ZnO (GZO) films exhibited a high Hall mobility ( μ H) of 50.1 cm2/Vs with a carrier concentration ( N) of 2.55 × 1020 cm-3. Firstly, the GZO films were prepared on glass substrates by ion plating with dc arc discharge, and the AZO films were then deposited on the GZO films by direct current magnetron sputtering (DC-MS). The GZO interface layers with a preferential c-axis orientation play a critical role in producing AZO films with texture development of a well-defined (0001) orientation, whereas 500-nm-thick AZO films deposited by only DC-MS showed a mixture of the c-plane and the other plane orientation, to exhibit a μ H of 38.7 cm2/Vs with an N of 2.22 × 1020 cm-3.

300% Enhancement of Carrier Mobility in Uniaxial-Oriented Perovskite Films Formed by Topotactic-Oriented Attachment

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

Kim, Dong Hoe; Park, Jaehong; Li, Zhen

Organic-inorganic perovskites with intriguing optical and electrical properties have attracted significant research interests due to their excellent performance in optoelectronic devices. Recent efforts on preparing uniform and large-grain polycrystalline perovskite films have led to enhanced carrier lifetime up to several microseconds. However, the mobility and trap densities of polycrystalline perovskite films are still significantly behind their single-crystal counterparts. Here, a facile topotactic-oriented attachment (TOA) process to grow highly oriented perovskite films, featuring strong uniaxial-crystallographic texture, micrometer-grain morphology, high crystallinity, low trap density (≈4 x 10 14 cm -3), and unprecedented 9 GHz charge-carrier mobility (71 cm 2 V -1 smore » -1), is demonstrated. TOA-perovskite-based n-i-p planar solar cells show minimal discrepancies between stabilized efficiency (19.0%) and reverse-scan efficiency (19.7%). In conclusion, the TOA process is also applicable for growing other state-of-the-art perovskite alloys, including triple-cation and mixed-halide perovskites.« less

300% Enhancement of Carrier Mobility in Uniaxial-Oriented Perovskite Films Formed by Topotactic-Oriented Attachment

DOE PAGES

Kim, Dong Hoe; Park, Jaehong; Li, Zhen; ...

2017-04-18

Organic-inorganic perovskites with intriguing optical and electrical properties have attracted significant research interests due to their excellent performance in optoelectronic devices. Recent efforts on preparing uniform and large-grain polycrystalline perovskite films have led to enhanced carrier lifetime up to several microseconds. However, the mobility and trap densities of polycrystalline perovskite films are still significantly behind their single-crystal counterparts. Here, a facile topotactic-oriented attachment (TOA) process to grow highly oriented perovskite films, featuring strong uniaxial-crystallographic texture, micrometer-grain morphology, high crystallinity, low trap density (≈4 x 10 14 cm -3), and unprecedented 9 GHz charge-carrier mobility (71 cm 2 V -1 smore » -1), is demonstrated. TOA-perovskite-based n-i-p planar solar cells show minimal discrepancies between stabilized efficiency (19.0%) and reverse-scan efficiency (19.7%). In conclusion, the TOA process is also applicable for growing other state-of-the-art perovskite alloys, including triple-cation and mixed-halide perovskites.« less

Influence of substrate microcrystallinity on the orientation of laser-induced periodic surface structures

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

Nürnberger, P.; Reinhardt, H.; Kim, H-C.

2015-10-07

The research in this paper deals with the angular dependence of the formation of laser-induced periodic surface structures (LIPSS) by linearly polarized nanosecond laser pulses on polycrystalline austenitic stainless steel. Incident angles ranging from 45° to 70° lead to the generation of superimposed merely perpendicular oriented LIPSS on steel as well as on monocrystalline (100) silicon which was used as a reference material. Additional extraordinary orientations of superimposing LIPSS along with significantly different periodicities are found on polycrystalline steel but not on (100) silicon. Electron backscatter diffraction measurements indicate that the expansion of these LIPSS is limited to the grainmore » size and affected by the crystal orientation of the individual grains. Atomic force microscopy imaging shows that LIPSS fringe heights are in good agreement with the theoretically predicted penetration depths of surface plasmon polaritons into stainless steel. These results indicate that optical anisotropies must be taken into account to fully describe the theory of light-matter interaction leading to LIPSS formation.« less

Phase transition in lead titanate thin films: a Brillouin study

NASA Astrophysics Data System (ADS)

Kuzel, P.; Dugautier, C.; Moch, P.; LeMarrec, F.; Karkut, M. G.

2002-12-01

The elastic properties of both polycrystalline and epitaxial PbTiO3 (PTO) thin films are studied using Brillouin scattering spectroscopy. The epitaxial PTO films were prepared by pulsed laser ablation on (1) a [0 0 1] single crystal of SrTiO3 (STO) doped with Nb and (2) a [0 0 1] STO buffered with a layer of YBa2Cu3O7. The polycrystalline PTO films were prepared by sol-gel on a Si substrate buffered with TiO2 and Pt layers. The data analysis takes into account the ripple and the elasto-optic contributions. The latter significantly affects the measured spectra since it gives rise to a Love mode in the p-s scattering geometry. At room temperature, the spectra of the epitaxially grown samples are interpreted using previously published elastic constants of PTO single crystals. Sol-gel samples exhibit appreciable softening of the effective elastic properties compared to PTO single crystals: this result is explained by taking into account the random orientation of the microscopic PTO grains. For both the polycrystalline and the epitaxial films we have determined that the piezoelectric terms do not contribute to the spectra. The temperature dependence of the spectra shows strong anomalies of the elastic properties near the ferroelectric phase transition. Compared to the bulk, TC is higher in the sol-gel films, while in the epitaxial films the sign of the TC shift depends on the underlying material.

Nanometer-Scale Force Detected Nuclear Magnetic Resonance Imaging

DTIC Science & Technology

2013-01-01

different crystallographic orientation. Single crystal thin films should thus minimize the stray electric fields by reducing the number of grain ...from epitaxial Ag films, rather than polycrystalline Ag films. It is thought that grain boundaries in polycrystalline metal films give rise to stray...electric fields near the surface of the film. The electric fields are produced as a consequence of the work func- tion difference between grains of

Computational modeling and simulation of spall fracture in polycrystalline solids by an atomistic-based interfacial zone model

PubMed Central

Lin, Liqiang; Zeng, Xiaowei

2015-01-01

The focus of this work is to investigate spall fracture in polycrystalline materials under high-speed impact loading by using an atomistic-based interfacial zone model. We illustrate that for polycrystalline materials, increases in the potential energy ratio between grain boundaries and grains could cause a fracture transition from intergranular to transgranular mode. We also found out that the spall strength increases when there is a fracture transition from intergranular to transgranular. In addition, analysis of grain size, crystal lattice orientation and impact speed reveals that the spall strength increases as grain size or impact speed increases. PMID:26435546

Spall behaviour of single crystal aluminium at three principal orientations

NASA Astrophysics Data System (ADS)

Owen, G. D.; Chapman, D. J.; Whiteman, G.; Stirk, S. M.; Millett, J. C. F.; Johnson, S.

2017-10-01

A series of plate impact experiments have been conducted to study the spall strength of the three principal crystallographic orientations of single crystal aluminium ([100], [110] and, [111]) and ultra-pure polycrystalline aluminium. The samples have been shock loaded at two impact stresses (4 GPa and 10 GPa). Significant differences have been observed in the elastic behaviour, the pullback velocities, and the general shape of the wave profiles, which can be accounted for by considerations of the microscale homogeneity, the dislocation density, and the absence of grain boundaries in the single crystal materials. The data have shown that there is a consistent order of spall strength measured for the four sample materials. The [111] orientation has the largest spall strength and elastic limit, followed closely by [110], [100], and then the polycrystalline material. This order is consistent with both quasi-static data and geometrical consideration of Schmid factors.

Simulation of anisotropic fracture behaviour of polycrystalline round blank tungsten using cohesive zone model

NASA Astrophysics Data System (ADS)

Mahler, Michael; Gaganidze, Ermile; Aktaa, Jarir

2018-04-01

The experimental observation of anisotropic fracture behaviour of round blank polycrystalline tungsten was simulated using finite element (FE) method in combination with cohesive zone model. Experiments in the past had shown that due to the anisotropic microstructure the fracture toughness varies by factor of about two for different orientations. The reason is the crack propagation direction, which is - in some orientations - not the typical crack propagation direction for mode I fracture. In some directions the crack is not growing perpendicular to the crack opening tensile load. Nevertheless, in the present paper, the microstructure is modelled by FE mesh including cohesive zone elements which mimic grain boundaries (GB). This is based on the assumption that GB's are the weakest links in the structure. The use of the correct parameters to describe the fracture process allows the description of the observed experimental orientation dependent fracture toughness.

Characterization of polycrystalline materials using synchrotron X-ray imaging and diffraction techniques

NASA Astrophysics Data System (ADS)

Ludwig, W.; King, A.; Herbig, M.; Reischig, P.; Marrow, J.; Babout, L.; Lauridsen, E. M.; Proudhon, H.; Buffière, J. Y.

2010-12-01

The combination of synchrotron radiation x-ray imaging and diffraction techniques offers new possibilities for in-situ observation of deformation and damage mechanisms in the bulk of polycrystalline materials. Minute changes in electron density (i.e., cracks, porosities) can be detected using propagation based phase contrast imaging, a 3-D imaging mode exploiting the coherence properties of third generation synchrotron beams. Furthermore, for some classes of polycrystalline materials, one may use a 3-D variant of x-ray diffraction imaging, termed x-ray diffraction contrast tomography. X-ray diffraction contrast tomography provides access to the 3-D shape, orientation, and elastic strain state of the individual grains from polycrystalline sample volumes containing up to thousand grains. Combining both imaging modalities, one obtains a comprehensive description of the materials microstructure at the micrometer length scale. Repeated observation during (interrupted) mechanical tests provide unprecedented insight into crystallographic and grain microstructure related aspects of polycrystalline deformation and degradation mechanisms.

Dominant pinning mechanisms in YBa2Cu3O7-x films on single and polycrystalline yttria stabilized zirconia substrates

NASA Astrophysics Data System (ADS)

Harshavardhan, K. S.; Rajeswari, M.; Hwang, D. M.; Chen, C. Y.; Sands, T.; Venkatesan, T.; Tkaczyk, J. E.; Lay, K. W.; Safari, A.

1992-04-01

Critical-current densities have been measured in YBa2Cu3O7-x films deposited on (100) yttria stabilized zirconia (YSZ) and polycrystalline YSZ substrates as a function of temperature (4.5-88 K), magnetic field (0-1 T) and orientation relative to the applied field. The results indicate that in films on polycrystalline substrates, surface and interface pinning play a dominant role at high temperatures. In films on (100) YSZ, pinning is mainly due to intrinsic layer pinning as well as extrinsic pinning associated with the interaction of the fluxoids with point defects and low energy planar (2D) boundaries. The differences are attributed to the intrinsic rigidity of single fluxoids which is reduced in films on polycrystalline substrates thereby weakening the intrinsic layer pinning.

New criteria for isotropic and textured metals

NASA Astrophysics Data System (ADS)

Cazacu, Oana

2018-05-01

In this paper a isotropic criterion expressed in terms of both invariants of the stress deviator, J2 and J3 is proposed. This criterion involves a unique parameter, α, which depends only on the ratio between the yield stresses in uniaxial tension and pure shear. If this parameter is zero, the von Mises yield criterion is recovered; if a is positive the yield surface is interior to the von Mises yield surface whereas when a is negative, the new yield surface is exterior to it. Comparison with polycrystalline calculations using Taylor-Bishop-Hill model [1] for randomly oriented face-centered (FCC) polycrystalline metallic materials show that this new criterion captures well the numerical yield points. Furthermore, the criterion reproduces well yielding under combined tension-shear loadings for a variety of isotropic materials. An extension of this isotropic yield criterion such as to account for orthotropy in yielding is developed using the generalized invariants approach of Cazacu and Barlat [2]. This new orthotropic criterion is general and applicable to three-dimensional stress states. The procedure for the identification of the material parameters is outlined. Illustration of the predictive capabilities of the new orthotropic is demonstrated through comparison between the model predictions and data on aluminum sheet samples.

Influence of the Strain History on TWIP Steel Deformation Mechanisms in the Deep-Drawing Process

NASA Astrophysics Data System (ADS)

Lapovok, R.; Timokhina, I.; Mester, A.-K.; Weiss, M.; Shekhter, A.

2018-03-01

A study of preferable deformation modes on strain path and strain level in a TWIP steel sheet was performed. Different strain paths were obtained by stretch forming of specimens with various shapes and tensile tests. TEM analysis was performed on samples cut from various locations in the deformed specimens, which had different strain paths and strain levels and the preferable deformation modes were identified. Stresses caused by various strain paths were considered and an analytical analysis performed to identify the preferable deformation modes for the case of single crystal. For a single crystal, in assumption of the absence of lattice rotation, the strain path and the level of accumulated equivalent strain define the preferable deformation mode. For a polycrystalline material, such analytical analysis is not possible due to the large number of grains and, therefore, numerical simulation was employed. For the polycrystalline material, the role of strain path diminishes due to the presence of a large number of grains with random orientations and the effect of accumulated strain becomes dominant. However, at small strains the strain path still defines the level of twinning activity. TEM analysis experimentally confirmed that various deformation modes lead to different deformation strengthening mechanisms.

Influence of the Strain History on TWIP Steel Deformation Mechanisms in the Deep-Drawing Process

NASA Astrophysics Data System (ADS)

Lapovok, R.; Timokhina, I.; Mester, A.-K.; Weiss, M.; Shekhter, A.

2018-06-01

A study of preferable deformation modes on strain path and strain level in a TWIP steel sheet was performed. Different strain paths were obtained by stretch forming of specimens with various shapes and tensile tests. TEM analysis was performed on samples cut from various locations in the deformed specimens, which had different strain paths and strain levels and the preferable deformation modes were identified. Stresses caused by various strain paths were considered and an analytical analysis performed to identify the preferable deformation modes for the case of single crystal. For a single crystal, in assumption of the absence of lattice rotation, the strain path and the level of accumulated equivalent strain define the preferable deformation mode. For a polycrystalline material, such analytical analysis is not possible due to the large number of grains and, therefore, numerical simulation was employed. For the polycrystalline material, the role of strain path diminishes due to the presence of a large number of grains with random orientations and the effect of accumulated strain becomes dominant. However, at small strains the strain path still defines the level of twinning activity. TEM analysis experimentally confirmed that various deformation modes lead to different deformation strengthening mechanisms.

Improved bounds on the energy-minimizing strains in martensitic polycrystals

NASA Astrophysics Data System (ADS)

Peigney, Michaël

2016-07-01

This paper is concerned with the theoretical prediction of the energy-minimizing (or recoverable) strains in martensitic polycrystals, considering a nonlinear elasticity model of phase transformation at finite strains. The main results are some rigorous upper bounds on the set of energy-minimizing strains. Those bounds depend on the polycrystalline texture through the volume fractions of the different orientations. The simplest form of the bounds presented is obtained by combining recent results for single crystals with a homogenization approach proposed previously for martensitic polycrystals. However, the polycrystalline bound delivered by that procedure may fail to recover the monocrystalline bound in the homogeneous limit, as is demonstrated in this paper by considering an example related to tetragonal martensite. This motivates the development of a more detailed analysis, leading to improved polycrystalline bounds that are notably consistent with results for single crystals in the homogeneous limit. A two-orientation polycrystal of tetragonal martensite is studied as an illustration. In that case, analytical expressions of the upper bounds are derived and the results are compared with lower bounds obtained by considering laminate textures.

Angular-dependent EDMR linewidth for spin-dependent space charge limited conduction in a polycrystalline pentacene

NASA Astrophysics Data System (ADS)

Fukuda, Kunito; Asakawa, Naoki

2017-08-01

Spin-dependent space charge limited carrier conduction in a Schottky barrier diode using polycrystalline p-type π-conjugated molecular pentacene is explored using multiple-frequency electrically detected magnetic resonance (EDMR) spectroscopy with a variable-angle configuration. The measured EDMR spectra are decomposed into two components derived respectively from mobile and trapped positive polarons. The linewidth of the EDMR signal for the trapped polarons increases with increasing resonance magnetic field for an in-plane configuration where the normal vector of the device substrate is perpendicular to the resonance magnetic field, while it is independent of the field for an out-of-plane configuration. This difference is consistent with the pentacene arrangement on the device substrate, where pentacene molecules exhibit a uniaxial orientation on the out-of-substrate plane. By contrast, the mobile polarons do not show anisotropic behavior with respect to the resonance magnetic field, indicating that the anisotropic effect is averaged out owing to carrier motion. These results suggest that the orientational arrangements of polycrystalline pentacene molecules in a nano thin film play a crucial role in spin-dependent electrical conduction.

Relationship between morphologies and orientations of Cu{sub 6}Sn{sub 5} grains in Sn3.0Ag0.5Cu solder joints on different Cu pads

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

Tian, Yanhong, E-mail: tianyh@hit.edu.cn; Zhang, Rui; Hang, Chunjin

2014-02-15

The morphologies and orientations of Cu{sub 6}Sn{sub 5} intermetallic compounds in the Sn3.0Ag0.5Cu solder joints both on polycrystalline and single crystal Cu pads under different peak reflow temperatures and times above liquids were investigated. The relationship between Cu{sub 6}Sn{sub 5} grain orientations and morphologies was clarified. At the interface of Sn3.0Ag0.5Cu/polycrystalline Cu pad, scalloped Cu{sub 6}Sn{sub 5} intermetallic compounds formed at 250 °C and roof shape Cu{sub 6}Sn{sub 5} formed at 300 °C. Both scalloped Cu{sub 6}Sn{sub 5} and roof shape Cu{sub 6}Sn{sub 5} had a preferred orientation of (0001) plane being parallel to polycrystalline Cu pad surface. Besides, themore » percentage of large angle grain boundaries increased as the peak reflow temperature rose. At the interface of Sn3.0Ag0.5Cu/(111) single crystal Cu pad, the Cu{sub 6}Sn{sub 5} intermetallic compounds were mainly scallop-type at 250 °C and were prism type at 300 °C. The prismatic Cu{sub 6}Sn{sub 5} grains grew along the three preferred directions with the inter-angles of 60° on (111) single crystal Cu pad while along two perpendicular directions on (100) single crystal Cu pad. The orientation relationship between Cu{sub 6}Sn{sub 5} grains and the single crystal Cu pads was investigated by electron backscatter diffraction technology. In addition, two types of hollowed Cu{sub 6}Sn{sub 5} intermetallic compounds were found inside the joints of polycrystalline Cu pads. The long hexagonal Cu{sub 6}Sn{sub 5} strips were observed in the joints reflowing at 250 °C while the hollowed Cu{sub 6}Sn{sub 5} strips with the ‘▪’ shape cross-sections appeared at 300 °C, which was attributed to the different grain growth rates of different Cu{sub 6}Sn{sub 5} crystal faces. - Highlights: • The orientation of interfacial Cu{sub 6}Sn{sub 5} grains was obtained by EBSD technology. • Two types of hollowed Cu{sub 6}Sn{sub 5} strips were found at different temperatures. • The formation mechanism of hollowed Cu{sub 6}Sn{sub 5} was elaborated based on Bravais law. • The relationship between Cu{sub 6}Sn{sub 5} grain orientations and morphologies was clarified.« less

Substrate Structures For Growth Of Highly Oriented And/Or Epitaxial Layers Thereon

DOEpatents

Arendt, Paul N.; Foltyn, Stephen R.; Groves, James R.; Jia, Quanxi

2005-07-26

A composite substrate structure including a substrate, a layer of a crystalline metal oxide or crystalline metal oxynitride material upon the substrate, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the crystalline metal oxide or crystalline metal oxynitride material layer is provided together with additional layers such as one or more layers of a buffer material upon the oriented cubic oxide material layer. Jc's of 2.3×106 A/cm2 have been demonstrated with projected Ic's of 320 Amperes across a sample 1 cm wide for a superconducting article including a flexible polycrystalline metallic substrate, an inert oxide material layer upon the surface of the flexible polycrystalline metallic substrate, a layer of a crystalline metal oxide or crystalline metal oxynitride material upon the layer of the inert oxide material, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the crystalline metal oxide or crystalline metal oxynitride material layer, a layer of a buffer material upon the oriented cubic oxide material layer, and, a top-layer of a high temperature superconducting material upon the layer of a buffer material.

Unexpected Magnetic Domain Behavior in LTP-MnBi

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

Nguyen, PK; Jin, S; Berkowitz, AE

2013-07-01

Low-temperature-phase MnBi (LTP-MnBi) has attracted much interest as a potential rare-earth-free permanent magnet material because of its high uniaxial magnetocrystalline anisotropy at room temperature, K approximate to 10(7) ergs/cc, and the unusual increase of anisotropy with increasing temperature, with an accompanying increasing coercive force (H-C) with temperature. However, due to the complex Mn-Bi phase diagram, bulk samples of LTP-MnBi with the optimum saturation moment, similar to 75-76 emu/g have been achieved only with zone-refined single crystals. We have prepared polycrystalline samples of LTP-MnBi by induction melting and annealing at 300 degrees C. The moment in 70 kOe is 73.5 emu/g,more » but H-C is only 50 Oe. This is quite surprising-the high saturation moment indicates the dominating presence of LTP-MnBi. Therefore, an H-C c of some significant fraction of 2K/M-S approximate to 30 kOe would seem reasonable in this polycrystalline sample. By examining "Bitter" patterns, we show that the sample is composed of similar to 50 - 100 mu m crystallites. The randomly oriented crystallites exhibit the variety of magnetic domain structures and orientations expected from the hexagonal-structured MnBi with its strong uniaxial anisotropy. Clearly, the reversal of magnetization in the sample proceeds by the low-field nucleation of reversed magnetization in each crystallite, rather than by a wall-pinning mechanism. When the annealed sample was milled into fine particles, H-C increased by several orders of magnitude, as expected.« less

Ferroelectric and structural properties of stress-constrained and stress-relaxed polycrystalline BiFeO3 thin films

NASA Astrophysics Data System (ADS)

Nakashima, Seiji; Ricinschi, Dan; Park, Jung Min; Kanashima, Takeshi; Fujisawa, Hironori; Shimizu, Masaru; Okuyama, Masanori

2009-03-01

The stress influence of the structural and ferroelectric properties of polycrystalline BiFeO3 (BFO) thin films has been investigated using a membrane substrate for relaxing stress. Reciprocal space mapping (RSM) measurement has been performed to confirm the stress dependence of the crystal structure of polycrystalline BFO thin films on the Pt (200 nm)/TiO2 (50 nm)/SiO2 (600 nm)/Si (625 μm) substrate (stress-constrained BFO film) and the Pt (200 nm)/TiO2 (50 nm)/SiO2 (600 nm)/Si (15 μm) membrane substrate (stress-relaxed BFO film). The BFO thin films prepared by pulsed laser deposition were polycrystalline and mainly exhibit a texture with (001) and (110) plane orientations. From the RSM results, the crystal structure of the (001)-oriented domain changes from Pm monoclinic to Cm monoclinic or to R3c rhombohedral due to stress relaxation. Moreover, at room temperature as well as at 150 K, remanent polarization (Pr) increases and double coercive field (2Ec) decreases (in the latter case from 88 to 94 μC/cm2 and from 532 to 457 kV/cm, respectively) due to relaxing stress. The enhancement of ferroelectricity is attributed to the crystal structural deformation and/or transition and angle change between the polarization direction and film plane.

The Fundamentals of Dislocation Transport of Hydrogen in BCC Iron.

DTIC Science & Technology

1984-10-01

4.2.1. Single Crystal Material 24 4.2.2. Polycrystalline Material 25 4.3. Single Crystal Orientation Determination 25 4.4. Straining Permeation Test 27...Test 45 4.6. Supersaturation Study 47 S. RESULTS AND DISCUSSION 50 5.1. Single Crystal Orientation Determination 50 5.1.1. Slip System Determination 58...Orientation 162 Determination B.1. Dislocation Line Direction Determination 162 B.2. Burgers Vector Determination 164

Crystal growth patterns in DC and pulsed plated galvanic copper films on (1 1 1), (1 0 0) and (1 1 0) copper surfaces

NASA Astrophysics Data System (ADS)

Brown, Delilah A.; Morgan, Sean; Peldzinski, Vera; Brüning, Ralf

2017-11-01

Copper films for printed circuit board applications have to be fine-grained to achieve even filling of vias. Electroplated Cu films on roll annealed Cu substrates may have unacceptably large epitaxial crystals. Here galvanic films were plated on oriented single-crystal Cu substrates from an additive-free electrolyte, as well as DC plating and pulse reverse (PR) plating with additives. The distribution of crystallite orientations was mapped with XRD and compared with the microstructure determined by SEM. For the additive-free bath on [1 1 1] and [1 0 0] oriented surfaces a gradual transition from epitaxial to polycrystalline is seen, while films on [1 1 0] substrates are persistently epitaxial. Without bath additives, twinning is the main mechanism for the transition to polycrystalline texture. For DC plating, additives (carriers, accelerators and levelers) promote fine-grained films with isotropic grain orientations, with films on [1 1 0] substrates being partially isotropic. Plating with carriers and accelerators (no leveler) yields films with many distinct crystallite orientations. These orientations result from up to five steps of recursive twinning. PR plating produces isotropic films with no or very few twins (〈1 1 1〉 and 〈1 0 0〉 substrates, respectively), while on 〈1 1 0〉 oriented surfaces the deposits are about 20% epitaxial.

Mutual orientation of three magnetic tensors in a polycrystalline dipeptide by dipole-modulated 15N chemical shift spectroscopy

NASA Astrophysics Data System (ADS)

Hartzell, C. J.; Pratum, T. K.; Drobny, G.

1987-10-01

This study demonstrates the mutual orientation of three tensor interactions in a single NMR experiment. The orientation of the 15N chemical shift tensor relative to the molecular frame has thus been determined in polycrystalline L-[1-13C] alanyl-L-[15N] alanine. The 13C-15N and 15N-1H dipole interactions are determined using the 1H dipole-modulated, 13C dipole-coupled 15N spectrum obtained as a transform of the data in t2. From simulations of the experimental spectra, two sets of polar angles have been determined relating the 13C-15N and 15N-1H dipoles to the 15N chemical shift tensor. The values determined are βCN =106°, αCN =5° and βNH =-19°, αNH =12°. The experiment verifies, without reference to single crystal data, that σ33 lies in the peptide plane and σ22 is nearly perpendicular to the plane.

Magnetic preferential orientation of metal oxide superconducting materials

DOEpatents

Capone, D.W.; Dunlap, B.D.; Veal, B.W.

1990-07-17

A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) exhibits superconducting properties and is capable of conducting very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the conduction of high current densities. The highly anisotropic diamagnetic susceptibility of the polycrystalline metal oxide material permits the use of an applied magnetic field to orient the individual crystals when in the superconducting state to substantially increase current transport between adjacent grains. In another embodiment, the anisotropic paramagnetic susceptibility of rare-earth ions substituted into the oxide material is made use of as an applied magnetic field orients the particles in a preferential direction. This latter operation can be performed with the material in the normal (non-superconducting) state. 4 figs.

Magnetic preferential orientation of metal oxide superconducting materials

DOEpatents

Capone, Donald W.; Dunlap, Bobby D.; Veal, Boyd W.

1990-01-01

A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0

Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review

NASA Astrophysics Data System (ADS)

Gránásy, László; Rátkai, László; Szállás, Attila; Korbuly, Bálint; Tóth, Gyula I.; Környei, László; Pusztai, Tamás

2014-04-01

Advances in the orientation-field-based phase-field (PF) models made in the past are reviewed. The models applied incorporate homogeneous and heterogeneous nucleation of growth centers and several mechanisms to form new grains at the perimeter of growing crystals, a phenomenon termed growth front nucleation. Examples for PF modeling of such complex polycrystalline structures are shown as impinging symmetric dendrites, polycrystalline growth forms (ranging from disordered dendrites to spherulitic patterns), and various eutectic structures, including spiraling two-phase dendrites. Simulations exploring possible control of solidification patterns in thin films via external fields, confined geometry, particle additives, scratching/piercing the films, etc. are also displayed. Advantages, problems, and possible solutions associated with quantitative PF simulations are discussed briefly.

Magnetorheological finishing with chemically modified fluids for studying material removal of single-crystal ZnS

NASA Astrophysics Data System (ADS)

Salzman, S.; Romanofsky, H. J.; Clara, Y. I.; Giannechini, L. J.; West, Garrett J.; Lambropoulos, J. C.; Jacobs, S. D.

2013-09-01

Magnetorheological finishing (MRF) of polycrystalline, chemical-vapor-deposited (CVD) zinc sulfide (ZnS) and zinc selenide (ZnSe) can leave millimeter-size artifacts on the part surface. These pebble-like features come from the anisotropic mechanical and chemical properties of the ceramic material and from the CVD growth process itself. The resulting surface texture limits the use of MRF for polishing aspheric and other complex shapes using these important infrared (IR) ceramics. An investigation of the individual contributions of chemistry and mechanics to polishing of other polycrystalline ceramics has been employed in the past to overcome similar material anisotropy problems. The approach taken was to study the removal process for the different single-crystal orientations that comprise the ceramic, making adjustments to mechanics (polishing abrasive type and concentration) and polishing slurry chemistry (primarily pH) to equalize the removal rate for all crystal orientations. Polishing with the modified slurry was shown to prevent the development of surface texture. Here we present mechanical (microhardness testing) and chemical (acid etching) studies performed on the four single-crystal orientations of ZnS: 100, 110, 111, and 311. We found that the (111) plane is 35% to 55% harder and 30% to 40% more resistant to chemical etching than the other three planes. This relatively high degree of variation in these properties can help to explain the surface texture developed from MRF of the polycrystalline material. Theoretical calculations of microhardness, planar, and bond densities are presented and compared with the experimental data. Here surface characterization of these single-crystal orientations of ZnS for material removal and roughness with chemically modified MR fluids at various pH levels between pH 4 and pH 6 are presented for the first time.

Ultrafast shock-induced orientation of polycrystalline films: Applications to high explosives

NASA Astrophysics Data System (ADS)

Franken, Jens; Hambir, Selezion A.; Dlott, Dana D.

1999-02-01

Tiny laser-driven shock waves of ˜5 GPa pressure (nanoshocks) are used to study fast mechanical processes occurring in a thin layer of polycrystalline insensitive energetic material, (3-nitro-1,2,4-triazol-5-one) (NTO). Ultrafast coherent Raman spectroscopy of shocked NTO shows the existence of three distinct mechanical processes. Very fast (˜600 ps) changes in intensity and the appearance of new transitions are associated with the uniaxial nature of compression by the shock front. Frequency shifting and broadening processes which track the ˜2 ns duration nanoshock are associated with transient changes in density and temperature. A novel slower process (5-10 ns) starts as the shock begins to unload, and continues for several nanoseconds after the shock is over, resulting in changes of widths and intensities of several vibrational transitions. By comparing ultrafast spectra to static Raman spectra of single NTO crystals in various orientations, it is concluded that this process involves shock-induced partial orientation of the crystals in the NTO layer. The NTO crystals are oriented faster than the time scale for initiating chemical reactions. The sensitivity of explosive crystals to shock initiation may depend dramatically on the orientation of the crystal relative to the direction of shock propagation, so the implications of fast shock-induced orientation for energetic materials initiation are discussed briefly.

Single-crystal-like, c-axis oriented BaTiO3 thin films with high-performance on flexible metal templates for ferroelectric applications

NASA Astrophysics Data System (ADS)

Shin, Junsoo; Goyal, Amit; Jesse, Stephen; Kim, Dae Ho

2009-06-01

Epitaxial, c-axis oriented BaTiO3 thin films were deposited using pulsed laser ablation on flexible, polycrystalline Ni alloy tape with biaxially textured oxide buffer multilayers. The high quality of epitaxial BaTiO3 thin films with P4mm group symmetry was confirmed by x-ray diffraction. The microscopic ferroelectric domain structure and the piezoelectric domain switching in these films were confirmed via spatially resolved piezoresponse mapping and local hysteresis loops. Macroscopic measurements demonstrate that the films have well-saturated hysteresis loops with a high remanent polarization of ˜11.5 μC/cm2. Such high-quality, single-crystal-like BaTiO3 films on low-cost, polycrystalline, flexible Ni alloy substrates are attractive for applications in flexible lead-free ferroelectric devices.

Three dimensional X-ray Diffraction Contrast Tomography Reconstruction of Polycrystalline Strontium Titanate during Sintering and Electron Backscatter Diffraction Validation

NASA Astrophysics Data System (ADS)

Syha, M.; Rheinheimer, W.; Loedermann, B.; Graff, A.; Trenkle, A.; Baeurer, M.; Weygand, D.; Ludwig, W.; Gumbsch, P.

The microstructural evolution of polycrystalline strontium titanate was investigated in three dimensions (3D) using X-ray diffraction contrast tomography (DCT) before and after ex-situ annealing at 1600°C. Post-annealing, the specimen was additionally subjected to phase contrast tomography (PCT) in order to finely resolve the porosities. The resulting microstructure reconstructions were studied with special emphasis on morphology and interface orientation during microstructure evolution. Subsequently, cross-sections of the specimen were studied using electron backscatter diffraction (EBSD). Corresponding cross-sections through the 3D reconstruction were identified and the quality of the reconstruction is validated with special emphasis on the spatial resolution at the grain boundaries, the size and location of pores contained in the material and the accuracy of the orientation determination.

Fabrication of vanadium dioxide polycrystalline films with higher temperature coefficient of resistance

NASA Astrophysics Data System (ADS)

Li, Jinhua; Yuan, Ningyi; Jiang, Meiping; Kun, Li

2011-08-01

Vanadium Dioxide Polycrystalline Films with High Temperature Coefficient of Resistance(TCR) were fabricated by modified Ion Beam Enhanced Deposition(IBED) method. The TCR of the Un-doping VO2 was about -4%/K at room temperature after appropriate thermal annealing. The XRD results clearly showed that IBED polycrystalline VO2 films had a single [002] orientation of VO2(M). The TCR of 5at.%W and 7at.% Ta doped Vanadium Dioxide Polycrystalline Films were high up to -18%/K and -12%/K at room temperature, respectively. Using 7at.% Ta and 2at.% Ti co-doping, the TCR of the co-doped vanadium oxide film was -7%/K and without hysteresis during temperature increasing and decresing from 0-80°C. It should indicate that the W-doped vanadium dioxide films colud be used for high sensing IR detect and the Ta/Ti co-doped film without hysteresis is suitable for infrarid imaging application.

Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

DOE PAGES

MacDonald, M. J.; Vorberger, J.; Gamboa, E. J.; ...

2016-06-07

Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit. Here, we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso-stress) limit. This analysis uses elastic constants to calculate lattice strains for all initial crystallite orientations, enablingmore » elastic anisotropy and sample texture effects to be modeled directly. Furthermore, the effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when interpreting diffraction in dynamic compression experiments.« less

ISS and TPD study of the adsorption and interaction of CO and H2 on polycrystalline Pt

NASA Technical Reports Server (NTRS)

Melendez, Orlando; Hoflund, Gar B.; Schryer, David R.

1990-01-01

The adsorption and interaction of CO and H2 on polycrystalline Pt has been studied using ion scattering spectroscopy (ISS) and temperature programmed desorption (TPD). The ISS results indicate that the initial CO adsorption on Pt takes place very rapidly and saturates the Pt surface with coverage close to a monolayer. ISS also shows that the CO molecules adsorb at an angular orientation from the surface normal and perhaps parallel to the surface. A TPD spectrum obtained after coadsorbing C-12 O-16 and C-13 O-18 on Pt shows no isotopic mixing, which is indicative of molecular CO adsorption. TPD spectra obtained after coadsorbing H2 and CO on polycrystalline Pt provides evidence for the formation of a CO-H surface species.

Direct evidence of detwinning in polycrystalline Ni-Mn-Ga ferromagnetic shape memory alloys during deformation.

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

Nie, Z. H.; Lin Peng, R.; Johansson, S.

2008-01-01

In situ time-of-flight neutron diffraction and high-energy x-ray diffraction techniques were used to reveal the preferred reselection of martensite variants through a detwinning process in polycrystalline Ni-Mn-Ga ferromagnetic shape memory alloys under uniaxial compressive stress. The variant reorientation via detwinning during loading can be explained by considering the influence of external stress on the grain/variant orientation-dependent distortion energy. These direct observations of detwinning provide a good understanding of the deformation mechanisms in shape memory alloys.

Texture evolution and mechanical behaviour of irradiated face-centred cubic metals

NASA Astrophysics Data System (ADS)

Chen, L. R.; Xiao, X. Z.; Yu, L.; Chu, H. J.; Duan, H. L.

2018-02-01

A physically based theoretical model is proposed to investigate the mechanical behaviour and crystallographic texture evolution of irradiated face-centred cubic metals. This model is capable of capturing the main features of irradiated polycrystalline materials including irradiation hardening, post-yield softening and plasticity localization. Numerical results show a good agreement with experimental data for both unirradiated and irradiated stress-strain relationships. The study of crystallographic texture reveals that the initial randomly distributed texture of unirradiated metals under tensile loading can evolve into a mixture of [111] and [100] textures. Regarding the irradiated case, crystallographic texture develops in a different way, and an extra part of [110] texture evolves into [100] and [111] textures. Thus, [100] and [111] textures become dominant more quickly compared with those of the unirradiated case for the reason that [100] and [111]-oriented crystals have higher strength, and their plastic deformation behaviours are more active than other oriented crystals. It can be concluded that irradiation-induced defects can affect both the mechanical behaviour and texture evolution of metals, both of which are closely related to irradiation hardening.

Mesoscale martensitic transformation in single crystals of topological defects

PubMed Central

Martínez-González, José A.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-01-01

Liquid-crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of double-twisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by the existence of grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with precision by relying on chemically nanopatterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of mesocrystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local reorganization of the crystalline array, without diffusion of the double-twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the submicron regime, is found to be martensitic in nature when one considers the collective behavior of the double-twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal nucleation and the controlled growth of soft matter. PMID:28874557

Study of vanadium doped ZnO films prepared by dc reactive magnetron sputtering at different substrate temperatures.

PubMed

Meng, Lijian; Teixeira, Vasco; Dos Santos, M P

2013-02-01

ZnO films doped with vanadium (ZnO:V) have been prepared by dc reactive magnetron sputtering technique at different substrate temperatures (RT-500 degrees C). The effects of the substrate temperature on ZnO:V films properties have been studied. XRD measurements show that only ZnO polycrystalline structure has been obtained, no V2O5 or VO2 crystal phase can be observed. It has been found that the film prepared at low substrate temperature has a preferred orientation along the (002) direction. As the substrate temperature is increased, the (002) peak intensity decreases. When the substrate temperature reaches the 500 degrees C, the film shows a random orientation. SEM measurements show a clear formation of the nano-grains in the sample surface when the substrate temperature is higher than 400 degrees C. The optical properties of the films have been studied by measuring the specular transmittance. The refractive index has been calculated by fitting the transmittance spectra using OJL model combined with harmonic oscillator.

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

Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.

Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array,more » without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.« less

Dynamic Microstructure Design Consortium

DTIC Science & Technology

2011-03-23

multiple realizations of polycrystalline microstructure. Cyclic microplasticity in favorably oriented martensite grains is the primary driver for the...can alter the residual stress distribution 13. The present work ex- plores how short-range microplastic deformation during cyclic loading promotes

Growth and characterization of β-Ga2O3 crystals

NASA Astrophysics Data System (ADS)

Nikolaev, V. I.; Maslov, V.; Stepanov, S. I.; Pechnikov, A. I.; Krymov, V.; Nikitina, I. P.; Guzilova, L. I.; Bougrov, V. E.; Romanov, A. E.

2017-01-01

Here we report on the growth and characterization of β-Ga2O3 bulk crystals and polycrystalline layer on different substrates. Bulk β-Ga2O3 crystals were produced by free crystallisation of gallium oxide melt in sapphire crucible. Transparent single crystals measuring up to 8 mm across were obtained. Good structural quality was confirmed by x-ray diffraction rocking curve FWHM values of 46″. Young's modulus, shear modulus and hardness of the β-Ga2O3 crystals were measured by nanoindentation and Vickers microindentation techniques. Polycrystalline β-Ga2O3 films were deposited on silicon and sapphire substrates by sublimation method. It was found that structure and morphology of the films were greatly influenced by the material and orientation of the substrates. The best results were achieved on a-plane sapphire substrates where predominantly (111) oriented films were obtained.

Homogenized electromechanical properties of crystalline and ceramic relaxor ferroelectric 0.58Pb(Mg1/3Nb2/3)O3 0.42PbTiO3

NASA Astrophysics Data System (ADS)

Jayachandran, K. P.; Guedes, J. M.; Rodrigues, H. C.

2007-10-01

A modelling framework that incorporates the peculiarities of microstructural features, such as the spatial correlation of crystallographic orientations and morphological texture in piezoelectrics, is established. The mathematical homogenization theory of a piezoelectric medium is implemented using the finite element method by solving the coupled equilibrium electrical and mechanical fields. The dependence of the domain orientation on the macroscopic electromechanical properties of crystalline as well as polycrystalline ceramic relaxor ferroelectric 0.58Pb(Mg1/3Nb2/3)O3-0.42PbTiO3 (PMN-42% PT) is studied based on this model. The material shows large anisotropy in the piezoelectric coefficient ejK in its crystalline form. The homogenized electromechanical moduli of polycrystalline ceramic also exhibit significantly anisotropic behaviours. An optimum texture at which the piezoceramic exhibits its maximum longitudinal piezoelectric response is identified.

Experimental Study on the Anisotropic Stress-Strain Behavior of Polycrystalline Ni-Mn-Ga in Directional Solidification

NASA Astrophysics Data System (ADS)

Teng, Yao; Shi, Tao; Zhu, Yuping; Li, Zongbin; Deng, Tao; Bai, Guonan

2016-03-01

A polycrystalline Ni-Mn-Ga ferromagnetic shape memory alloy produced by directional solidification is the subject of this research paper. The compressive stress-strain curves of the material for different cutting angles to the solidification direction are tested. The martensite Young's modulus, macroscopic reorientation strain, and phase transition critical stress are analyzed experimentally. The results show that mechanical behaviors in the loading-unloading cycle of the material present nonlinear and anisotropic characteristics, which are all closely related to the material's orientation to the solidification direction. The martensite Young's modulus, macroscopic reorientation strain, and phase transition critical stress achieve maximum values in the solidification direction. A 50° orientation to the solidification direction is the cut-off direction of the mechanical properties, where the martensite Young's modulus and reorientation start critical stress reach minimum values. The present study is expected to provide sound guidance for practical applications.

Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

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

Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe

2014-04-28

The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

Polycrystalline indium phosphide on silicon by indium assisted growth in hydride vapor phase epitaxy

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

Metaferia, Wondwosen; Sun, Yan-Ting, E-mail: yasun@kth.se; Lourdudoss, Sebastian

2014-07-21

Polycrystalline InP was grown on Si(001) and Si(111) substrates by using indium (In) metal as a starting material in hydride vapor phase epitaxy (HVPE) reactor. In metal was deposited on silicon substrates by thermal evaporation technique. The deposited In resulted in islands of different size and was found to be polycrystalline in nature. Different growth experiments of growing InP were performed, and the growth mechanism was investigated. Atomic force microscopy and scanning electron microscopy for morphological investigation, Scanning Auger microscopy for surface and compositional analyses, powder X-ray diffraction for crystallinity, and micro photoluminescence for optical quality assessment were conducted. Itmore » is shown that the growth starts first by phosphidisation of the In islands to InP followed by subsequent selective deposition of InP in HVPE regardless of the Si substrate orientation. Polycrystalline InP of large grain size is achieved and the growth rate as high as 21 μm/h is obtained on both substrates. Sulfur doping of the polycrystalline InP was investigated by growing alternating layers of sulfur doped and unintentionally doped InP for equal interval of time. These layers could be delineated by stain etching showing that enough amount of sulfur can be incorporated. Grains of large lateral dimension up to 3 μm polycrystalline InP on Si with good morphological and optical quality is obtained. The process is generic and it can also be applied for the growth of other polycrystalline III–V semiconductor layers on low cost and flexible substrates for solar cell applications.« less

Wet-chemical passivation of atomically flat and structured silicon substrates for solar cell application

NASA Astrophysics Data System (ADS)

Angermann, H.; Rappich, J.; Korte, L.; Sieber, I.; Conrad, E.; Schmidt, M.; Hübener, K.; Polte, J.; Hauschild, J.

2008-04-01

Special sequences of wet-chemical oxidation and etching steps were optimised with respect to the etching behaviour of differently oriented silicon to prepare very smooth silicon interfaces with excellent electronic properties on mono- and poly-crystalline substrates. Surface photovoltage (SPV) and photoluminescence (PL) measurements, atomic force microscopy (AFM) and scanning electron microscopy (SEM) investigations were utilised to develop wet-chemical smoothing procedures for atomically flat and structured surfaces, respectively. Hydrogen-termination as well as passivation by wet-chemical oxides were used to inhibit surface contamination and native oxidation during the technological processing. Compared to conventional pre-treatments, significantly lower micro-roughness and densities of surface states were achieved on mono-crystalline Si(100), on evenly distributed atomic steps, such as on vicinal Si(111), on silicon wafers with randomly distributed upside pyramids, and on poly-crystalline EFG ( Edge-defined Film-fed- Growth) silicon substrates. The recombination loss at a-Si:H/c-Si interfaces prepared on c-Si substrates with randomly distributed upside pyramids was markedly reduced by an optimised wet-chemical smoothing procedure, as determined by PL measurements. For amorphous-crystalline hetero-junction solar cells (ZnO/a-Si:H(n)/c-Si(p)/Al) with textured c-Si substrates the smoothening procedure results in a significant increase of short circuit current Isc, fill factor and efficiency η. The scatter in the cell parameters for measurements on different cells is much narrower, as compared to conventional pre-treatments, indicating more well-defined and reproducible surface conditions prior to a-Si:H emitter deposition and/or a higher stability of the c-Si surface against variations in the a-Si:H deposition conditions.

FMR and torque studies of highly stressed magnetostrictive polycrystalline CoPd alloy films

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

Dubowik, J.; Szymanski, B.

1994-03-01

Ferromagnetic resonance (FMR) and torque curves have been measured in electrodeposited CoPd alloy films with composition ranged from Co{sub 13}Pd{sub 83} to Co{sub 45}Pd{sub 55}. The authors show that the origin of the multimode structure of FMR spectra in these strongly magnetostrictive polycrystalline films can be satisfactory explained on the basis of the independent-grain-approach for a textured microstructure. The fourfold periodicity of the torque curves for the compositional range of 30--35 at% is assumed to be oriented by inhomogeneous distribution of the magnetization direction.

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.

Diffraction Contrast Tomography: A Novel 3D Polycrystalline Grain Imaging Technique

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

Kuettner, Lindsey Ann

2017-06-06

Diffraction contrast tomography (DCT) is a non-destructive way of imaging microstructures of polycrystalline materials such as metals or crystalline organics. It is a useful technique to map 3D grain structures as well as providing crystallographic information such as crystal orientation, grain shape, and strain. Understanding the internal microstructure of a material is important in understanding the bulk material properties. This report gives a general overview of the similar techniques, DCT data acquisition, and analysis processes. Following the short literature review, potential work and research at Los Alamos National Laboratory (LANL) is discussed.

Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

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

MacDonald, M. J., E-mail: macdonm@umich.edu; SLAC National Accelerator Laboratory, Menlo Park, California 94025; Vorberger, J.

2016-06-07

Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit [Higginbotham, J. Appl. Phys. 115, 174906 (2014)]. Here, we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso-stress) limit. This analysis uses elastic constants to calculate latticemore » strains for all initial crystallite orientations, enabling elastic anisotropy and sample texture effects to be modeled directly. The effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when interpreting diffraction in dynamic compression experiments.« less

Dislocation-induced stress in polycrystalline materials: mesoscopic simulations in the dislocation density formalism

NASA Astrophysics Data System (ADS)

Berkov, D. V.; Gorn, N. L.

2018-06-01

In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent) dislocation density is known. Our method allows the evaluation of the dislocation stress using a rectangular grid with shape-anisotropic discretization cells without employing higher multipole moments of the dislocation interaction coefficients. Using the proposed method, we first simulate the stress created by relatively simple non-homogeneous distributions of vertical edge and so-called ‘mixed’ dislocations in a disk-shaped sample, which is necessary to understand the dislocation behavior in more complicated systems. The main part of our research is devoted to the stress distribution in polycrystalline layers with the dislocation density rapidly varying with the distance to the layer bottom. Considering GaN as a typical example of such systems, we investigate dislocation-induced stress for edge and mixed dislocations, having random orientations of Burgers vectors among crystal grains. We show that the rapid decay of the dislocation density leads to many highly non-trivial features of the stress distributions in such layers and study in detail the dependence of these features on the average grain size. Finally we develop an analytical approach which allows us to predict the evolution of the stress variance with the grain size and compare analytical predictions with numerical results.

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

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

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Evolution of LiFePO4 thin films interphase with electrolyte

NASA Astrophysics Data System (ADS)

Dupré, N.; Cuisinier, M.; Zheng, Y.; Fernandez, V.; Hamon, J.; Hirayama, M.; Kanno, R.; Guyomard, D.

2018-04-01

Many parameters may control the growth and the characteristics of the interphase, such as surface structure and morphology, structural defects, grain boundaries, surface reactions, etc. However, polycrystalline surfaces contain these parameters simultaneously, resulting in a quite complicated system to study. Working with model electrode surfaces using crystallographically oriented crystalline thin films appears as a novel and unique approach to understand contributions of preferential orientation and rugosity of the surface. In order to rebuild the interphase architecture along electrochemical cycling, LiFePO4 epitaxial films offering ideal 2D (100) interfaces are here investigated through the use of non-destructive depth profiling by Angular Resolved X-ray Photoelectron Spectroscopy (ARXPS). The composition and structure of the interphase is then monitored upon cycling for samples stopped at the end of charge and discharge for various numbers of cycles, and discussed in the light of combined XPS and X-ray reflectivity (XRR) measurements. Such an approach allows describing the interphase evolution on a specific model LiFePO4 crystallographic orientation and helps understanding the nature and evolution of the LiFePO4/electrolyte interphase forming on the surface of LiFePO4 poly-crystalline powder.

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE PAGES

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.; ...

2016-02-27

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Failure above and Below the Elastic Limit in AD995

NASA Astrophysics Data System (ADS)

Bourne, N. K.; Millett, J. C. F.; Chen, M. W.; Dandekar, D. P.; McCauley, J. W.

2007-12-01

There is an ongoing interest in identifying inexpensive armour materials for use in the protection of personnel and vehicles. The response of AD995 under shock loading is one of the materials most extensively investigated. Over recent years, workers have reported failure occurring in various polycrystalline ceramics behind the shock front. This phenomenon has been investigated using embedded stress sensors and a recovery technique that has allowed observation of the microstructure above and below the Hugoniot Elastic Limit (HEL) and these results are brought together here to explain the observed behaviour. The failure front velocity is found to change with the applied stress, in particular it slows as the HEL is exceeded. The microstructure shows the response below the HEL is dominated by intergranular failure whilst above it, the grains exhibit plasticity (including twinning). The HEL is thus shown to be characteristic of alumina viewed as a composite with randomly oriented alumina grains.

Multi-phase-field modeling of anisotropic crack propagation for polycrystalline materials

NASA Astrophysics Data System (ADS)

Nguyen, Thanh-Tung; Réthoré, Julien; Yvonnet, Julien; Baietto, Marie-Christine

2017-08-01

A new multi-phase-field method is developed for modeling the fracture of polycrystals at the microstructural level. Inter and transgranular cracking, as well as anisotropic effects of both elasticity and preferential cleavage directions within each randomly oriented crystal are taken into account. For this purpose, the proposed phase field formulation includes: (a) a smeared description of grain boundaries as cohesive zones avoiding defining an additional phase for grains; (b) an anisotropic phase field model; (c) a multi-phase field formulation where each preferential cleavage direction is associated with a damage (phase field) variable. The obtained framework allows modeling interactions and competition between grains and grain boundary cracks, as well as their effects on the effective response of the material. The proposed model is illustrated through several numerical examples involving a full description of complex crack initiation and propagation within 2D and 3D models of polycrystals.

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

Meisner, L. L., E-mail: llm@ispms.tsc.ru; Meisner, S. N., E-mail: msn@ispms.tsc.ru; Poletika, T. M., E-mail: poletm@ispms.tsc.ru

Using the EBSD, SEM and TEM methods, the structure of surface layer of polycrystalline NiTi alloy samples was examined after the modification of material surface by the pulsed action of mean-energy silicon ion beam. It was found that the ion beam treatment would cause grain fragmentation of the near-surface layer to a depth 5÷50 μm; a higher extent of fragmentation was observed in grains whose close-packed planes were oriented approximately in the same direction as the ion beam was. The effect of high-intensity ion beam treatment on the anisotropic behavior of polycrystalline NiTi alloy and the mechanisms involved were alsomore » examined.« less

Compression deformation of WC: atomistic description of hard ceramic material

NASA Astrophysics Data System (ADS)

Feng, Qing; Song, Xiaoyan; Liu, Xuemei; Liang, Shuhua; Wang, Haibin; Nie, Zuoren

2017-11-01

The deformation characteristics of WC, as a typical hard ceramic material, were studied on the nanoscale using atomistic simulations for both the single-crystal and polycrystalline forms under uniaxial compression. In particular, the effects of crystallographic orientation, grain boundary coordination and grain size on the origin of deformation were investigated. The deformation behavior of the single-crystal and polycrystalline WC both depend strongly on the orientation towards the loading direction. The grain boundaries play a significant role in the deformation coordination and the potential high fracture toughness of the nanocrystalline WC. In contrast to conventional knowledge of ceramics, maximum strength was obtained at a critical grain size corresponding to the turning point from a Hall-Petch to an inverse Hall-Petch relationship. For this the mechanism of the combined effect of dislocation motion within grains and the coordination of stress concentration at the grain boundaries were proposed. The present work has moved forward our understanding of plastic deformability and the possibility of achieving a high strength of nanocrystalline ceramic materials.

Compression deformation of WC: atomistic description of hard ceramic material.

PubMed

Feng, Qing; Song, Xiaoyan; Liu, Xuemei; Liang, Shuhua; Wang, Haibin; Nie, Zuoren

2017-11-24

The deformation characteristics of WC, as a typical hard ceramic material, were studied on the nanoscale using atomistic simulations for both the single-crystal and polycrystalline forms under uniaxial compression. In particular, the effects of crystallographic orientation, grain boundary coordination and grain size on the origin of deformation were investigated. The deformation behavior of the single-crystal and polycrystalline WC both depend strongly on the orientation towards the loading direction. The grain boundaries play a significant role in the deformation coordination and the potential high fracture toughness of the nanocrystalline WC. In contrast to conventional knowledge of ceramics, maximum strength was obtained at a critical grain size corresponding to the turning point from a Hall-Petch to an inverse Hall-Petch relationship. For this the mechanism of the combined effect of dislocation motion within grains and the coordination of stress concentration at the grain boundaries were proposed. The present work has moved forward our understanding of plastic deformability and the possibility of achieving a high strength of nanocrystalline ceramic materials.

Liquid-phase explosive crystallization of electron-beam-evaporated a-Si films induced by flash lamp annealing

NASA Astrophysics Data System (ADS)

Ohdaira, Keisuke; Matsumura, Hideki

2013-01-01

We succeed in the formation of micrometer-order-thick polycrystalline silicon (poly-Si) films through the flash-lamp-induced liquid-phase explosive crystallization (EC) of precursor a-Si films prepared by electron-beam (EB) evaporation. The velocity of the explosive crystallization (vEC) is estimated to be ˜14 m/s, which is close to the velocity of the liquid-phase epitaxy (LPE) of Si at a temperature around the melting point of a-Si of 1418 K. Poly-Si films formed have micrometer-order-long grains stretched along a lateral crystallization direction, and X-ray diffraction (XRD) and electron diffraction pattern measurements reveal that grains in poly-Si films tend to have a particular orientation. These features are significantly different from our previous results: the formation of poly-Si films containing randomly-oriented 10-nm-sized fine grains formed from a-Si films prepared by catalytic chemical vapor deposition (Cat-CVD) or sputtering. One possible reason for the emergence of a different EC mode in EB-evaporated a-Si films is the suppression of solid-phase nucleation (SPN) during Flash Lamp Annealing (FLA) due to tensile stress which precursor a-Si films originally hold. Poly-Si films formed from EB-evaporated a-Si films would contribute to the realization of high-efficiency thin-film poly-Si solar cells because of large and oriented grains.

Preferred crystallographic orientation in the ice I ← II transformation and the flow of ice II

USGS Publications Warehouse

Bennett, K.; Wenk, H.-R.; Durham, W.B.; Stern, L.A.; Kirby, S.H.

1997-01-01

The preferred crystallographic orientation developed during the ice I ← II transformation and during the plastic flow of ice II was measured in polycrystalline deuterium oxide (D2O) specimens using low-temperature neutron diffraction. Samples partially transformed from ice I to II under a non-hydrostatic stress developed a preferred crystallographic orientation in the ice II. Samples of pure ice II transformed from ice I under a hydrostatic stress and then when compressed axially, developed a strong preferred orientation of compression axes parallel to (1010). A match to the observed preferred orientation using the viscoplastic self-consistent theory was obtained only when (1010) [0001] was taken as the predominant slip system in ice II.

Large structural, thin-wall castings made of metals subject to hot tearing, and their fabrication

NASA Technical Reports Server (NTRS)

Smashey, Russell W. (Inventor)

2001-01-01

An article, such as a gas turbine engine mixer, is made by providing a mold structure defining a thin-walled, hollow article, and a base metal that is subject to hot tear cracking when cast in a generally equiaxed polycrystalline form, such as Rene' 108 and Mar-M247. The article is fabricated by introducing the molten base metal into the mold structure, and directionally solidifying the base metal in the mold structure to form a directionally oriented structure. The directionally oriented structure may be formed of a single grain or oriented multiple grains.

Evolution of the characteristics of Parametric X-ray Radiation from textured polycrystals under different observation angles

NASA Astrophysics Data System (ADS)

Alekseev, V. I.; Eliseyev, A. N.; Irribarra, E.; Kishin, I. A.; Klyuev, A. S.; Kubankin, A. S.; Nazhmudinov, R. M.; Zhukova, P. N.

2018-02-01

The Parametric X-Ray radiation (PXR) spectra and yield dependencies on the orientation angle are measured during the interaction of 7 MeV electrons with a tungsten textured polycrystalline foil for different observation angles. The effects of PXR spectral density increase and PXR yield orientation dependence broadening in the backward direction is shown experimentally for the first time. The experimental results are compared with PXR kinematical theories for both mosaic crystals and polycrystals.

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

Miao, Yinbin; Mo, Kun; Yao, Tiankai

Here coordinated experimental efforts to quantitatively correlate crystallographic orientation and surface faceting features in UO2 are reported upon. A sintered polycrystalline UO2 sample was thermally etched to induce the formation of surface faceting features. Synchrotron Laue microdiffraction was used to obtain a precise crystallographic orientation map for the UO2 surface grains. Scanning electron microscopy (SEM) was utilized to collect the detailed information on the surface morphology of the sample. The surface faceting features were found to be highly dependent on the crystallographic orientation. In most cases, Triple-plane structures containing one {100} plane and two {111} planes were found to dominatemore » the surface of UO2. The orientation-faceting relationship established in this study revealed a practical and efficient method of determining crystallographic orientation based on the surface features captured by SEM images.« less

Non-destructive mapping of grain orientations in 3D by laboratory X-ray microscopy

PubMed Central

McDonald, S. A.; Reischig, P.; Holzner, C.; Lauridsen, E. M.; Withers, P. J.; Merkle, A. P.; Feser, M.

2015-01-01

The ability to characterise crystallographic microstructure, non-destructively and in three-dimensions, is a powerful tool for understanding many aspects related to damage and deformation mechanisms in polycrystalline materials. To this end, the technique of X-ray diffraction contrast tomography (DCT) using monochromatic synchrotron and polychromatic laboratory X-ray sources has been shown to be capable of mapping crystal grains and their orientations non-destructively in 3D. Here we describe a novel laboratory-based X-ray DCT modality (LabDCT), enabling the wider accessibility of the DCT technique for routine use and in-depth studies of, for example, temporal changes in crystallographic grain structure non-destructively over time through ‘4D’ in situ time-lapse studies. The capability of the technique is demonstrated by studying a titanium alloy (Ti-β21S) sample. In the current implementation the smallest grains that can be reliably detected are around 40 μm. The individual grain locations and orientations are reconstructed using the LabDCT method and the results are validated against independent measurements from phase contrast tomography and electron backscatter diffraction respectively. Application of the technique promises to provide important insights related to the roles of recrystallization and grain growth on materials properties as well as supporting 3D polycrystalline modelling of materials performance. PMID:26494523

Non-destructive mapping of grain orientations in 3D by laboratory X-ray microscopy

NASA Astrophysics Data System (ADS)

McDonald, S. A.; Reischig, P.; Holzner, C.; Lauridsen, E. M.; Withers, P. J.; Merkle, A. P.; Feser, M.

2015-10-01

The ability to characterise crystallographic microstructure, non-destructively and in three-dimensions, is a powerful tool for understanding many aspects related to damage and deformation mechanisms in polycrystalline materials. To this end, the technique of X-ray diffraction contrast tomography (DCT) using monochromatic synchrotron and polychromatic laboratory X-ray sources has been shown to be capable of mapping crystal grains and their orientations non-destructively in 3D. Here we describe a novel laboratory-based X-ray DCT modality (LabDCT), enabling the wider accessibility of the DCT technique for routine use and in-depth studies of, for example, temporal changes in crystallographic grain structure non-destructively over time through ‘4D’ in situ time-lapse studies. The capability of the technique is demonstrated by studying a titanium alloy (Ti-β21S) sample. In the current implementation the smallest grains that can be reliably detected are around 40 μm. The individual grain locations and orientations are reconstructed using the LabDCT method and the results are validated against independent measurements from phase contrast tomography and electron backscatter diffraction respectively. Application of the technique promises to provide important insights related to the roles of recrystallization and grain growth on materials properties as well as supporting 3D polycrystalline modelling of materials performance.

Non-destructive mapping of grain orientations in 3D by laboratory X-ray microscopy.

PubMed

McDonald, S A; Reischig, P; Holzner, C; Lauridsen, E M; Withers, P J; Merkle, A P; Feser, M

2015-10-23

The ability to characterise crystallographic microstructure, non-destructively and in three-dimensions, is a powerful tool for understanding many aspects related to damage and deformation mechanisms in polycrystalline materials. To this end, the technique of X-ray diffraction contrast tomography (DCT) using monochromatic synchrotron and polychromatic laboratory X-ray sources has been shown to be capable of mapping crystal grains and their orientations non-destructively in 3D. Here we describe a novel laboratory-based X-ray DCT modality (LabDCT), enabling the wider accessibility of the DCT technique for routine use and in-depth studies of, for example, temporal changes in crystallographic grain structure non-destructively over time through '4D' in situ time-lapse studies. The capability of the technique is demonstrated by studying a titanium alloy (Ti-β21S) sample. In the current implementation the smallest grains that can be reliably detected are around 40 μm. The individual grain locations and orientations are reconstructed using the LabDCT method and the results are validated against independent measurements from phase contrast tomography and electron backscatter diffraction respectively. Application of the technique promises to provide important insights related to the roles of recrystallization and grain growth on materials properties as well as supporting 3D polycrystalline modelling of materials performance.

Texture in steel plates revealed by laser ultrasonic surface acoustic waves velocity dispersion analysis.

PubMed

Yin, Anmin; Wang, Xiaochen; Glorieux, Christ; Yang, Quan; Dong, Feng; He, Fei; Wang, Yanlong; Sermeus, Jan; Van der Donck, Tom; Shu, Xuedao

2017-07-01

A photoacoustic, laser ultrasonics based approach in an Impulsive Stimulated Scattering (ISS) implementation was used to investigate the texture in polycrystalline metal plates. The angular dependence of the 'polycrystalline' surface acoustic wave (SAW) velocity measured along regions containing many grains was experimentally determined and compared with simulated results that were based on the angular dependence of the 'single grain' SAW velocity within single grains and the grain orientation distribution. The polycrystalline SAW velocities turn out to vary with texture. The SAW velocities and their angular variations for {110} texture were found to be larger than that the ones for {111} texture or the strong γ fiber texture. The SAW velocities for {001} texture were larger than for {111} texture, but with almost the same angular dependence. The results infer the feasibility to apply angular SAW angular dispersion measurements by laser ultrasonics for on-line texture monitoring. Copyright © 2017 Elsevier B.V. All rights reserved.

Indentation recovery in GdPO 4 and observation of deformation twinning

DOE PAGES

Wilkinson, Taylor M.; Musselman, Matthew A.; Boatner, Lynn A.; ...

2016-09-30

A series of nanoindentation tests on both single and polycrystalline specimens of a monazite rare-earth orthophosphate, GdPO 4, revealed frequent observation of anomalous unloading behavior with a large degree of recovery, where previously this behavior had only been observed in xenotime-structure rare-earth orthophosphates. An indentation site in the polycrystalline sample was examined using TEM to identify the deformation mechanism responsible for recovery. Finally, the presence of a twin along the (100) orientation, along with a series of stacking faults contained within the deformation site, provide evidence that the mechanism of recovery in GdPO 4 is the collapse of deformation twinsmore » during unloading.« less

Indentation recovery in GdPO 4 and observation of deformation twinning

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

Wilkinson, Taylor M.; Musselman, Matthew A.; Boatner, Lynn A.

A series of nanoindentation tests on both single and polycrystalline specimens of a monazite rare-earth orthophosphate, GdPO 4, revealed frequent observation of anomalous unloading behavior with a large degree of recovery, where previously this behavior had only been observed in xenotime-structure rare-earth orthophosphates. An indentation site in the polycrystalline sample was examined using TEM to identify the deformation mechanism responsible for recovery. Finally, the presence of a twin along the (100) orientation, along with a series of stacking faults contained within the deformation site, provide evidence that the mechanism of recovery in GdPO 4 is the collapse of deformation twinsmore » during unloading.« less

In-situ neutron diffraction study of martensitic variant redistribution in polycrystalline Ni-Mn-Ga alloy under cyclic thermo-mechanical treatment

NASA Astrophysics Data System (ADS)

Li, Zongbin; Zhang, Yudong; Esling, Claude; Gan, Weimin; Zou, Naifu; Zhao, Xiang; Zuo, Liang

2014-07-01

The influences of uniaxial compressive stress on martensitic transformation were studied on a polycrystalline Ni-Mn-Ga bulk alloy prepared by directional solidification. Based upon the integrated in-situ neutron diffraction measurements, direct experimental evidence was obtained on the variant redistribution of seven-layered modulated (7M) martensite, triggered by external uniaxial compression during martensitic transformation. Large anisotropic lattice strain, induced by the cyclic thermo-mechanical treatment, has led to the microstructure modification by forming martensitic variants with a strong ⟨0 1 0⟩7M preferential orientation along the loading axis. As a result, the saturation of magnetization became easier to be reached.

In-situ neutron diffraction study of martensitic variant redistribution in polycrystalline Ni-Mn-Ga alloy under cyclic thermo-mechanical treatment

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

Li, Zongbin; Zou, Naifu; Zhao, Xiang

2014-07-14

The influences of uniaxial compressive stress on martensitic transformation were studied on a polycrystalline Ni-Mn-Ga bulk alloy prepared by directional solidification. Based upon the integrated in-situ neutron diffraction measurements, direct experimental evidence was obtained on the variant redistribution of seven-layered modulated (7M) martensite, triggered by external uniaxial compression during martensitic transformation. Large anisotropic lattice strain, induced by the cyclic thermo-mechanical treatment, has led to the microstructure modification by forming martensitic variants with a strong 〈0 1 0〉{sub 7M} preferential orientation along the loading axis. As a result, the saturation of magnetization became easier to be reached.

Optical-diffraction method for determining crystal orientation

DOEpatents

Sopori, B.L.

1982-05-07

Disclosed is an optical diffraction technique for characterizing the three-dimensional orientation of a crystal sample. An arbitrary surface of the crystal sample is texture etched so as to generate a pseudo-periodic diffraction grating on the surface. A laser light beam is then directed onto the etched surface, and the reflected light forms a farfield diffraction pattern in reflection. Parameters of the diffraction pattern, such as the geometry and angular dispersion of the diffracted beam are then related to grating shape of the etched surface which is in turn related to crystal orientation. This technique may be used for examining polycrystalline silicon for use in solar cells.

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

Bishop, Joseph E.; Emery, John M.; Battaile, Corbett C.

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cellmore » represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Furthermore, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.« less

Influence of ammonia flow rate for improving properties of polycrystalline GaN

NASA Astrophysics Data System (ADS)

Ariff, A.; Ahmad, M. A.; Hassan, Z.; Zainal, N.

2018-06-01

Post-annealing treatment in ammonia ambient is widely accepted for GaN material, but less works have been done to investigate the influence of the ammonia (NH3) flow rate for reducing the N-deficiency as well as improving the quality of the material. In this work, we investigated the influence of NH3 flow rate at 1, 2, 3, and 4 slm in improving properties of a ∼1 μm thick polycrystalline GaN layer. Our simulation work suggested that the uniformity of temperature and pressure gradient of the NH3 gas did not lead to the reduction of N-deficiency of the polycrystalline GaN layer. Instead, it was found that the mitigation of the N-deficiency was strongly influenced by the fluid velocity of the NH3 gas, which had passed over the layer. Either at lower or higher fluid velocity, the chance for the active N atoms to incorporate into the GaN lattice structure was low. Therefore, the N-deficiency on the polycrystalline GaN layer could not be minimized under these conditions. As measured by EDX, the N atoms incorporation was the most effective when the NH3 flow rate at 3 slm, suggesting the flow rate significantly improved the N-deficiency of the polycrystalline GaN layer. Furthermore, it favored the formation of larger hexagonal faceted grains, with the smallest FWHM of XRD peaks from the GaN diffractions in (10 1 bar 0), (0002) and (10 1 bar 1) orientations, while allowing the polycrystalline GaN layer to show sharp and intense emissions peak of NBE in a PL spectrum.

Comparison of effective transverse piezoelectric coefficients e31,f of Pb(Zr,Ti)O3 thin films between direct and converse piezoelectric effects

NASA Astrophysics Data System (ADS)

Tsujiura, Yuichi; Kawabe, Saneyuki; Kurokawa, Fumiya; Hida, Hirotaka; Kanno, Isaku

2015-10-01

We evaluated the effective transverse piezoelectric coefficients (e31,f) of Pb(Zr,Ti)O3 (PZT) thin films from both the direct and converse piezoelectric effects of unimorph cantilevers. (001) preferentially oriented polycrystalline PZT thin films and (001)/(100) epitaxial PZT thin films were deposited on (111)Pt/Ti/Si and (001)Pt/MgO substrates, respectively, by rf-magnetron sputtering, and their piezoelectric responses owing to intrinsic and extrinsic effects were examined. The direct and converse |e31,f| values of the polycrystalline PZT thin films were calculated as 6.4 and 11.5-15.0 C/m2, respectively, whereas those of the epitaxial PZT thin films were calculated as 3.4 and 4.6-4.8 C/m2, respectively. The large |e31,f| of the converse piezoelectric property of the polycrystalline PZT thin films is attributed to extrinsic piezoelectric effects. Furthermore, the polycrystalline PZT thin films show a clear nonlinear piezoelectric contribution, which is the same as the Rayleigh-like behavior reported in bulk PZT. In contrast, the epitaxial PZT thin films on the MgO substrate show a piezoelectric response owing to the intrinsic and linear extrinsic effects, and no nonlinear contribution was observed.

Influence of Discharge Current on Phase Transition Properties of High Quality Polycrystalline VO2 Thin Film Fabricated by HiPIMS

PubMed Central

Lin, Tiegui; Wang, Jian; Liu, Gang; Wang, Langping; Wang, Xiaofeng; Zhang, Yufen

2017-01-01

To fabricate high-quality polycrystalline VO2 thin film with a metal–insulator transition (MIT) temperature less than 50 °C, high-power impulse magnetron sputtering with different discharge currents was employed in this study. The as-deposited VO2 films were characterized by a four-point probe resistivity measurement system, visible-near infrared (IR) transmittance spectra, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy. The resistivity results revealed that all the as-deposited films had a high resistance change in the phase transition process, and the MIT temperature decreased with the increased discharge current, where little deterioration in the phase transition properties, such as the resistance and transmittance changes, could be found. Additionally, XRD patterns at various temperatures exhibited that some reverse deformations that existed in the MIT process of the VO2 film, with a large amount of preferred crystalline orientations. The decrease of the MIT temperature with little deterioration on phase transition properties could be attributed to the reduction of the preferred grain orientations. PMID:28772990

Orientation dependent cyclic stability of the elastocaloric effect in textured Ni-Mn-Ga alloys

NASA Astrophysics Data System (ADS)

Wei, Longsha; Zhang, Xuexi; Liu, Jian; Geng, Lin

2018-05-01

High-performance elastocaloric materials require a large reversible elastocaloric effect and long life cyclic stability. Here, we fabricated textured polycrystalline Ni50.4Mn27.3Ga22.3 alloys by cost-effective casting method to create a <001> texture. A strong correlation between the cyclic stability and the crystal orientation was demonstrated. A large reversible adiabatic temperature change ΔT ˜6 K was obtained when the external stress was applied parallel to <001> direction. However, the ΔT decreased rapidly after 50 cycles, showing an unstable elastocaloric effect (eCE). On the other hand, when the external stress was applied perpendicular to <001>, the adiabatic ΔT was smaller ˜4 K, but was stable over 100 cycles. This significantly enhanced eCE stability was related to the high yield strength, low transformation strain and much higher crack initiation-propagation resistances perpendicular to <001> direction. This study provides a feasible strategy for optimizing the eCE property by creation of the texture structure in polycrystalline Ni-Mn-Ga and Ni-Mn-X (X= In, Sn, Sb) alloys.

Uniaxially oriented polycrystalline thin films and air-stable n-type transistors based on donor-acceptor semiconductor (diC8BTBT)(FnTCNQ) [n = 0, 2, 4

NASA Astrophysics Data System (ADS)

Shibata, Yosei; Tsutsumi, Jun'ya; Matsuoka, Satoshi; Matsubara, Koji; Yoshida, Yuji; Chikamatsu, Masayuki; Hasegawa, Tatsuo

2015-04-01

We report the fabrication of high quality thin films for semiconducting organic donor-acceptor charge-transfer (CT) compounds, (diC8BTBT)(FnTCNQ) (diC8BTBT = 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene and FnTCNQ [n = 0,2,4] = fluorinated derivatives of 7,7,8,8,-tetracyanoquinodimethane), which have a high degree of layered crystallinity. Single-phase and uniaxially oriented polycrystalline thin films of the compounds were obtained by co-evaporation of the component donor and acceptor molecules. Organic thin-film transistors (OTFTs) fabricated with the compound films exhibited n-type field-effect characteristics, showing a mobility of 6.9 × 10-2 cm2/V s, an on/off ratio of 106, a sub-threshold swing of 0.8 V/dec, and an excellent stability in air. We discuss the suitability of strong intermolecular donor-acceptor interaction and the narrow CT gap nature in compounds for stable n-type OTFT operation.

Large low-field magnetocaloric effect in directionally solidified Ni55Mn18+xGa27-x (x = 0, 1, 2) alloys

NASA Astrophysics Data System (ADS)

Li, Zhenzhuang; Li, Zongbin; Yang, Bo; Yang, Yiqiao; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang

2018-01-01

The magnetostructural transformation and magnetocaloric effect of directionally solidified polycrystalline Ni55Mn18+xGa27-x (x = 0, 1, 2) alloys were studied. It is shown the directionally solidified alloys form coarse columnar-shaped grains with strong 〈0 0 1〉A (the subscript A refers to austenite) preferred orientation along the solidification direction. Through Mn substitution for Ga, a coupled magnetostructural transformation was realized in Ni55Mn19Ga26 and Ni55Mn20Ga25 alloys. Large adiabatic temperature variation (ΔTad) of 1.47 K and 1.57 K under the low field change of 1.5 T were achieved in these two alloys, respectively. Such ΔTad values are obviously higher than that obtained from a single martensitic transformation and magnetic transition. The present results demonstrate that proper composition tuning to achieve magnetostructural transformation as well as increasing the grain size and preferential orientation degree through directional solidification could be an economical processing route to optimize magnetocaloric properties in polycrystalline Ni-Mn-Ga based alloys.

The processes of formation and epitaxial alignment of SrTiO3 thin films prepared by metallo-organic decomposition

NASA Astrophysics Data System (ADS)

Braunstein, G.; Paz-Pujalt, G. R.; Mason, M. G.; Blanton, T.; Barnes, C. L.; Margevich, D.

1993-01-01

The processes of formation and crystallization of thin films of SrTiO3 prepared by the method of metallo-organic decomposition have been studied with particular emphasis on the relationship between the thermal decomposition of the metallo-organic precursors and the eventual epitaxial alignment of the crystallized films. The films are deposited by spin coating onto single-crystalline silicon and SrTiO3 substrates, pyrolyzed on a hot plate at temperatures ranging from 200 to 450 °C, and subsequently heat treated in a quartz tube furnace at temperatures ranging from 300 to 1200 °C. Heat treatment at temperatures up to 450-500 °C results in the evaporation of solvents and other organic addenda, thermal decomposition of the metallo-organic (primarily metal-carboxylates) precursors, and formation of a carbonate species. This carbonate appears to be an intermediate phase in the reaction of SrCO3 and TiO2 to form SrTiO3. Relevant to this work is the fact that the carbonate species exhibits diffraction lines, indicating the formation of grains that can serve as seeds for the nucleation and growth of randomly oriented SrTiO3 crystallites, thereby leading to a polycrystalline film. Deposition on silicon substrates indeed results in the formation of polycrystalline SrTiO3. However, when the precursor solution is deposited on single-crystalline SrTiO3 substrates, the crystallization process involves a competition between two mechanisms: the random nucleation and growth of crystallites just described, and layer-by-layer solid phase epitaxy. Epitaxial alignment on SrTiO3 substrates can be achieved when the samples are heat treated at temperatures of 1100-1200 °C or at temperatures as low as 600-650 °C when the substrate is heated to about 1100 °C before spin coating.

Texture-induced anisotropy and high-strain rate deformation in metals

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

Schiferl, S.K.; Maudlin, P.J.

1990-01-01

We have used crystallographic texture calculations to model anisotropic yielding behavior for polycrystalline materials with strong preferred orientations and strong plastic anisotropy. Fitted yield surfaces were incorporated into an explicit Lagrangian finite-element code. We consider different anisotropic orientations, as well as different yield-surface forms, for Taylor cylinder impacts of hcp metals such as titanium and zirconium. Some deformed shapes are intrinsic to anisotropic response. Also, yield surface curvature, as distinct from strength anisotropy, has a strong influence on plastic flow. 13 refs., 5 figs.

The effect of texture on the crack growth resistance of alumina

NASA Technical Reports Server (NTRS)

Salem, Jonathan A.; Shannon, John L., Jr.; Bradt, Richard C.

1987-01-01

The crack growth resistance of a textured, extruded alumina body was compared with that of an isotropic, isopressed body of similar grain size, density, and chemistry. R-curve levels reflected the preferred orientation; however, R-curve slopes (dK sub IR/d Delta a) were the same in all instances, implying a similar crack growth resistive mechanism. Three orthogonal orientations of crack growth in the two structures exhibited similar forms of K sub IR versus Delta-a curves, for which a schematic diagram for polycrystalline ceramics is proposed.

Toward in situ x-ray diffraction imaging at the nanometer scale

NASA Astrophysics Data System (ADS)

Zatsepin, Nadia A.; Dilanian, Ruben A.; Nikulin, Andrei Y.; Gable, Brian M.; Muddle, Barry C.; Sakata, Osami

2008-08-01

We present the results of preliminary investigations determining the sensitivity and applicability of a novel x-ray diffraction based nanoscale imaging technique, including simulations and experiments. The ultimate aim of this nascent technique is non-destructive, bulk-material characterization on the nanometer scale, involving three dimensional image reconstructions of embedded nanoparticles and in situ sample characterization. The approach is insensitive to x-ray coherence, making it applicable to synchrotron and laboratory hard x-ray sources, opening the possibility of unprecedented nanometer resolution with the latter. The technique is being developed with a focus on analyzing a technologically important light metal alloy, Al-xCu (where x is 2.0-5.0 %wt). The mono- and polycrystalline samples contain crystallographically oriented, weakly diffracting Al2Cu nanoprecipitates in a sparse, spatially random dispersion within the Al matrix. By employing a triple-axis diffractometer in the non-dispersive setup we collected two-dimensional reciprocal space maps of synchrotron x-rays diffracted from the Al2Cu nanoparticles. The intensity profiles of the diffraction peaks confirmed the sensitivity of the technique to the presence and orientation of the nanoparticles. This is a fundamental step towards in situ observation of such extremely sparse, weakly diffracting nanoprecipitates embedded in light metal alloys at early stages of their growth.

Singular structure of Mueller matrices images of biological crystal networks for diagnostic human tissues pathological changes

NASA Astrophysics Data System (ADS)

Sakhnovskiy, M. Y.; Ushenko, V. A.

2013-09-01

The process of converting of laser radiation by optically anisotropic crystals of biological networks are singular in the sense of total (simultaneous) of mechanisms of orientation and phase (birefringence) anisotropy the formation of polarization-inhomogeneous field of scattered radiation. This work is aimed at developing a method of polarization selection mechanisms of blood plasma polycrystalline networks anisotropy. The relationship between statistics, correlation and fractal parameters of polarization-inhomogeneous images of blood plasma and by linear dichroism and linear birefringence of polycrystalline networks albumin and globulin was found. The criteria of differentiation and diagnostic images of polarization-inhomogeneous plasma samples of the control group (donor) and a group of patients with malignant changes of breast tissue was identified.

Robust weak anti-localisation effect in strongly textured nanocrystalline Bi2Se3 samples

NASA Astrophysics Data System (ADS)

Pereira, V. M. M.; Henriques, M. S. C.; Paixão, J. A.

2018-05-01

Topological insulators are a quantum state of matter that has recently created a great interest among the scientific community, with Bi2Se3 being one of the most extensively studied materials. Here, we demonstrate that polycrystalline nanostructured samples of Bi2Se3 preserve the existence of topological surface states, where electrons cannot be localised. The nanosheet crystals were synthesised by a microwave-assisted method and their structure, composition and morphology thoroughly characterised. The transport properties of a textured polycrystalline sample with strong preferred orientation along the c-axis were measured, showing the presence of the weak anti-localisation effect and Shubnikov-de Haas oscillations. These features are robust against the presence of non-magnetic impurities and structural defects.

The path for long range conduction in high J(sub c) TlBa2Ca2Cu3O(8+x) spray-pyrolyzed deposits

NASA Astrophysics Data System (ADS)

Kroeger, D. M.; Goyal, A.; Specht, E. D.; Wang, Z. L.; Tkaczyk, J. E.; Sutliff, J. A.; Deluca, J. A.

Grain boundary misorientations and local texture in polycrystalline TlBa2Ca2Cu3O(8+x) deposits prepared by thallination of spray-pyrolyzed precursor deposits on yttria-stabilized zirconia have been determined from transmission electron microscopy, electron backscatter diffraction patterns, and x ray diffraction. The deposits were polycrystalline, had small grains, and excellent c-axis alignment. The deposits contained colonies of grains with similar but not identical a-axis orientations. Most grain boundaries within a colony have small misorientation angles and should not be weak links. It is proposed that long range current flow occurs through a percolative network of small angle grain boundaries at colony intersections.

Constitutive Models for Shape Memory Alloy Polycrystals

NASA Technical Reports Server (NTRS)

Comstock, R. J., Jr.; Somerday, M.; Wert, J. A.

1996-01-01

Shape memory alloys (SMA) exhibiting the superelastic or one-way effects can produce large recoverable strains upon application of a stress. In single crystals this stress and resulting strain are very orientation dependent. We show experimental stress/strain curves for a Ni-Al single crystal for various loading orientations. Also shown are model predictions; the open and closed circles indicate recoverable strains obtained at various stages in the transformation process. Because of the strong orientation dependence of shape memory properties, crystallographic texture can be expected to play an important role in the mechanical behavior of polycrystalline SMA. It is desirable to formulate a constitutive model to better understand and exploit the unique properties of SMA.

Characterization of Y-Ba-Cu-O thin films and yttria-stabilized zirconia intermediate layers on metal alloys grown by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Reade, R. P.; Mao, X. L.; Russo, R. E.

1991-08-01

The use of an intermediate layer is necessary for the growth of YBaCuO thin films on polycrystalline metallic alloys for tape conductor applications. A pulsed laser deposition process to grow controlled-orientation yttria-stabilized zirconia (YSZ) films as intermediate layers on Haynes Alloy No. 230 was developed and characterized. YBaCuO films deposited on these YSZ-coated substrates are primarily c-axis oriented and superconducting as deposited. The best YBaCuO films grow on (001)-oriented YSZ intermediate layers and have Tc (R = 0) = 86.0 K and Jc about 3000 A/sq cm at 77 K.

A monoclinic, pseudo-orthorhombic Au-Hg mineral of potential economic significance in Pleistocene Snake River alluvial deposits of southeastern Idaho

USGS Publications Warehouse

Desborough, G.A.; Foord, E.E.

1992-01-01

A mineral with the approximate composition of Au94Hg6 - Au88Hg12 (atomic %) has been identified in Pleistocene Snake River alluvial deposits. The gold-mercury mineral occurs as very small grains or as polycrystalline masses composed of subhedral to nearly euhedral attached crystals. Vibratory cold-polishing techniques with 0.05-??m alumina abrasive for polished sections revealed a porous internal texture for most subhedral crystals after 48-72 hours of treatment. Thus, optical character (isotropic or anisotropic) could not be determined by reflected-light microscopy, and pore-free areas were too small for measurement of reflectance. X-ray-diffraction lines rather than individual reflections (spots), on powder camera X-ray films of unrotated spindles of single grains that morphologically appear to be single crystals, indicate that individual subhedral or euhedral crystals are composed of domains in random orientation. Thus, no material was found suitable for single-crystal X-ray diffraction studies. -from Authors

Surface and Bulk Carbide Transformations in High-Speed Steel

PubMed Central

Godec, M.; Večko Pirtovšek, T.; Šetina Batič, B.; McGuiness, P.; Burja, J.; Podgornik, B.

2015-01-01

We have studied the transformation of carbides in AISI M42 high-speed steels in the temperature window used for forging. The annealing was found to result in the partial transformation of the large, metastable M2C carbides into small, more stable grains of M6C, with an associated change in the crystal orientation. In addition, MC carbides form during the transformation of M2C to M6C. From the high-speed-steel production point of view, it is beneficial to have large, metastable carbides in the cast structure, which later during annealing, before the forging, transform into a structure of polycrystalline carbides. Such carbides can be easily decomposed into several small carbides, which are then randomly distributed in the microstructure. The results also show an interesting difference in the carbide-transformation reactions on the surface versus the bulk of the alloy, which has implications for in-situ studies of bulk phenomena that are based on surface observations. PMID:26537780

Physical properties of a non-transparent cadmium oxide thick film deposited at low fluence by pulsed laser deposition

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

Quiñones-Galván, J.G., E-mail: erk_183@hotmail.com; Lozada-Morales, R.; Jiménez-Sandoval, S.

Highlights: • A non-transparent cadmium oxide film has been deposited by pulsed laser deposition. • The CdO film is polycrystalline and highly oriented in the (2 0 0) direction. • Thermal treatment was applied in order to see the effect on its physical properties. - Abstract: A stable non-transparent CdO film was grown by pulsed laser deposition. The sample was thermally annealed at 500 °C in air. A (2 0 0) highly oriented polycrystalline film was obtained. The annealed sample has not preferred orientation. Scanning electron micrographs show a grain size reduction for the annealed sample. By Raman spectroscopy, themore » defects related second order vibrational modes of CdO were observed. Chemical composition analysis shows the presence of CdO together with a substoichiometric CdO{sub x} phase for the as-grown sample. For the annealed sample a compensation of oxygen vacancies was observed. Electrical resistivity measurements give a value of 8.602 × 10{sup −4} (Ω cm) for the as-grown film. For the annealed sample the electrical resistivity increased to a value of 9.996 × 10{sup −3} (Ω cm). Zero transmission has never been reported for CdO films. The photoluminescence spectra were measured in order to shed some light on the origin of the zero transmission.« less

Non-destructive identification of unknown minor phases in polycrystalline bulk alloys using three-dimensional X-ray diffraction

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

Yang, Yiming, E-mail: yangyiming1988@outlook.com

Minor phases make considerable contributions to the mechanical and physical properties of metals and alloys. Unfortunately, it is difficult to identify unknown minor phases in a bulk polycrystalline material using conventional metallographic methods. Here, a non-destructive method based on three-dimensional X-ray diffraction (3DXRD) is developed to solve this problem. Simulation results demonstrate that this method is simultaneously able to identify minor phase grains and reveal their positions, orientations and sizes within bulk alloys. According to systematic simulations, the 3DXRD method is practicable for an extensive sample set, including polycrystalline alloys with hexagonal, orthorhombic and cubic minor phases. Experiments were alsomore » conducted to confirm the simulation results. The results for a bulk sample of aluminum alloy AA6061 show that the crystal grains of an unexpected γ-Fe (austenite) phase can be identified, three-dimensionally and nondestructively. Therefore, we conclude that the 3DXRD method is a powerful tool for the identification of unknown minor phases in bulk alloys belonging to a variety of crystal systems. This method also has the potential to be used for in situ observations of the effects of minor phases on the crystallographic behaviors of alloys. - Highlights: •A method based on 3DXRD is developed for identification of unknown minor phase. •Grain position, orientation and size, is simultaneously acquired. •A systematic simulation demonstrated the applicability of the proposed method. •Experimental results on a AA6061 sample confirmed the practicability of the method.« less

Texturing of high T(sub c) superconducting polycrystalline fibers/wires by laser-driven directional solidification in an thermal gradient

NASA Technical Reports Server (NTRS)

Varshney, Usha; Eichelberger, B. Davis, III

1995-01-01

This paper summarizes the technique of laser-driven directional solidification in a controlled thermal gradient of yttria stabilized zirconia core coated Y-Ba-Cu-O materials to produce textured high T(sub c) superconducting polycrystalline fibers/wires with improved critical current densities in the extended range of magnetic fields at temperatures greater than 77 K. The approach involves laser heating to minimize phase segregation by heating very rapidly through the two-phase incongruent melt region to the single phase melt region and directionally solidifying in a controlled thermal gradient to achieve highly textured grains in the fiber axis direction. The technique offers a higher grain growth rate and a lower thermal budget compared with a conventional thermal gradient and is amenable as a continuous process for improving the J(sub c) of high T(sub c) superconducting polycrystalline fibers/wires. The technique has the advantage of suppressing weak-link behavior by orientation of crystals, formation of dense structures with enhanced connectivity, formation of fewer and cleaner grain boundaries, and minimization of phase segregation in the incongruent melt region.

Average intragranular misorientation trends in polycrystalline materials predicted by a viscoplastic self-consistent approach

DOE PAGES

Lebensohn, Ricardo A.; Zecevic, Miroslav; Knezevic, Marko; ...

2015-12-15

Here, this work presents estimations of average intragranular fluctuations of lattice rotation rates in polycrystalline materials, obtained by means of the viscoplastic self-consistent (VPSC) model. These fluctuations give a tensorial measure of the trend of misorientation developing inside each single crystal grain representing a polycrystalline aggregate. We first report details of the algorithm implemented in the VPSC code to estimate these fluctuations, which are then validated by comparison with corresponding full-field calculations. Next, we present predictions of average intragranular fluctuations of lattice rotation rates for cubic aggregates, which are rationalized by comparison with experimental evidence on annealing textures of fccmore » and bcc polycrystals deformed in tension and compression, respectively, as well as with measured intragranular misorientation distributions in a Cu polycrystal deformed in tension. The orientation-dependent and micromechanically-based estimations of intragranular misorientations that can be derived from the present implementation are necessary to formulate sound sub-models for the prediction of quantitatively accurate deformation textures, grain fragmentation, and recrystallization textures using the VPSC approach.« less

Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships

PubMed Central

Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

2015-01-01

Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to the strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries. PMID:26498715

Grain boundary plane orientation fundamental zones and structure-property relationships

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

Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

2015-10-26

Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to themore » strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.« less

Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grain-scale interactions

NASA Astrophysics Data System (ADS)

Holec, D.; Tasnádi, F.; Wagner, P.; Friák, M.; Neugebauer, J.; Mayrhofer, P. H.; Keckes, J.

2014-11-01

Despite the fast development of computational material modeling, the theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from basic principles remains a challenging task. In this study we use a supercell-based approach to obtain the elastic properties of a random solid solution cubic Zr1 -xAlxN system as a function of the metallic sublattice composition and texture descriptors. The employed special quasirandom structures are optimized not only with respect to short-range-order parameters, but also to make the three cubic directions [1 0 0 ] , [0 1 0 ] , and [0 0 1 ] as similar as possible. In this way, only a small spread of elastic constant tensor components is achieved and an optimum trade-off between modeling of chemical disorder and computational limits regarding the supercell size and calculational time is proposed. The single-crystal elastic constants are shown to vary smoothly with composition, yielding x ≈0.5 an alloy constitution with an almost isotropic response. Consequently, polycrystals with this composition are suggested to have Young's modulus independent of the actual microstructure. This is indeed confirmed by explicit calculations of polycrystal elastic properties, both within the isotropic aggregate limit and with fiber textures with various orientations and sharpness. It turns out that for low AlN mole fractions, the spread of the possible Young's modulus data caused by the texture variation can be larger than 100 GPa. Consequently, our discussion of Young's modulus data of cubic Zr1 -xAlxN contains also the evaluation of the texture typical for thin films.

Friction and wear of single-crystal and polycrystalline maganese-zinc ferrite in contact with various metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1977-01-01

Sliding friction experiments were conducted with single-crystal (SCF) and hot-pressed polycrystalline (HPF) manganese-zinc ferrite in contact with various metals. Results indicate that the coefficients of friction for SCF and HPF are related to the relative chemical activity of those metals in high vacuum. The more active the metal, the higher the coefficient of friction. The coefficients of friction for both SCF and HPF were the same and much higher in vacuum than in argon at atmospheric pressure. All the metals tested transferred to the surface of both SCF and HPF in sliding. Both SCF and HPF exhibited cracking and fracture with sliding. Cracking in SCF is dependent on crystallographic characteristics. In HPF, cracking depends on the orientation of the individual crystallites.

Large magnetoresistance in a directionally solidified Ni44.5Co5.1Mn37.1In13.3 magnetic shape memory alloy

NASA Astrophysics Data System (ADS)

Li, Zongbin; Hu, Wei; Chen, Fenghua; Zhang, Mingang; Li, Zhenzhuang; Yang, Bo; Zhao, Xiang; Zuo, Liang

2018-04-01

Polycrystalline Ni44.5Co5.1Mn37.1In13.3 alloy with coarse columnar-shaped grains and 〈0 0 1〉A preferred orientation was prepared by directional solidification. Due to the strong magnetostructural coupling, inverse martensitic transformation can be induced by the magnetic field, resulting in large negative magnetoresistance up to -58% under the field of 3 T. Such significant field controlled functional behaviors should be attributed to the coarse grains and strong preferred orientation in the directionally solidified alloy.

Effect of grain size on optical transmittance of birefringent polycrystalline ceramics

NASA Astrophysics Data System (ADS)

Wen, Tzu-Chien

Polycrystalline ceramics are increasingly used for fabricating windows and domes for the mid infra-red regime (3-5 mum) due to their superior durability as compared to glass and the lower cost of their fabrication and finishing relative to single crystals without significant compromise in optical properties. Due to the noncubic structure, MgF2 and Al2O3 are birefringent ceramics. Birefringence causes scatter of light at the grain boundaries and diminishes in-line transmittance and optical performance. This dissertation presents experimental results and analyses of the grain-size and wavelength dependence of the in-line transmittance of polycrystalline MgF2 and Al2O3. Chapter 2 presents experimental results and analyses of light transmission in polycrystalline MgF2 as a function of the mean grain size at different wavelengths. The scattering coefficient of polycrystalline MgF 2 increased linearly with the mean grain size and inversely with the square of the wavelength of light. These trends are consistent with theoretical models based on both a limiting form of the Raleigh-Gans-Debye theory of particle scattering and light retardation theories that take refractive-index variations along the light path. Chapter 3 investigates the applicability of particle light scattering theories to light attenuation in birefringent polycrystalline ceramics by measuring light transmittance in a model two-phase system. The system consisted of microspheres of silica dispersed in a solution of glycerol in water. It was found that RGD theory showed the systematic deviation for higher particle volume fraction (φ > 0.2) and larger particle size (d p > 1 mum). This result suggested that light scattering models based on single particle scattering are unlikely to provide viable physical explanation for the effect of grain size on light transmittance in birefringent polycrystalline ceramics due to the high volume fraction in dense polycrystalline ceramics. Chapter 4 analyses light transmission properties of polycrystalline Al 2O3 using theories of wave propagation in random media. Fully dense polycrystalline Al2O3 was fabricated using a pressure filtration method. By obtaining the Delta n2 measured from EBSD, the wave retardation theories of Raman and Viswanathan and Kahan et al. provided upper and lower bounds for the theoretical predictions of light transmittance as a function of mean intercept length.

Direct numerical simulations in solid mechanics for quantifying the macroscale effects of microstructure and material model-form error

DOE PAGES

Bishop, Joseph E.; Emery, John M.; Battaile, Corbett C.; ...

2016-03-16

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cellmore » represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Furthermore, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.« less

Experimental study of three-dimensional fin-channel charge trapping flash memories with titanium nitride and polycrystalline silicon gates

NASA Astrophysics Data System (ADS)

Liu, Yongxun; Matsukawa, Takashi; Endo, Kazuhiko; O'uchi, Shinichi; Tsukada, Junichi; Yamauchi, Hiromi; Ishikawa, Yuki; Mizubayashi, Wataru; Morita, Yukinori; Migita, Shinji; Ota, Hiroyuki; Masahara, Meishoku

2014-01-01

Three-dimensional (3D) fin-channel charge trapping (CT) flash memories with different gate materials of physical-vapor-deposited (PVD) titanium nitride (TiN) and n+-polycrystalline silicon (poly-Si) have successfully been fabricated by using (100)-oriented silicon-on-insulator (SOI) wafers and orientation-dependent wet etching. Electrical characteristics of the fabricated flash memories including statistical threshold voltage (Vt) variability, endurance, and data retention have been comparatively investigated. It was experimentally found that a larger memory window and a deeper erase are obtained in PVD-TiN-gated metal-oxide-nitride-oxide-silicon (MONOS)-type flash memories than in poly-Si-gated poly-Si-oxide-nitride-oxide-silicon (SONOS)-type memories. The larger memory window and deeper erase of MONOS-type flash memories are contributed by the higher work function of the PVD-TiN metal gate than of the n+-poly-Si gate, which is effective for suppressing electron back tunneling during erase operation. It was also found that the initial Vt roll-off due to the short-channel effect (SCE) is directly related to the memory window roll-off when the gate length (Lg) is scaled down to 46 nm or less.

Micron-Resolution X-ray Structural Microscopy Studies of 3-D Grain Growth in Polycrystalline Aluminum

NASA Astrophysics Data System (ADS)

Budai, J. D.; Yang, W.; Tischler, J. Z.; Liu, W.; Larson, B. C.; Ice, G. E.

2004-03-01

We describe a new polychromatic x-ray microdiffraction technique providing 3D measurements of lattice structure, orientation and strain with submicron point-to-point spatial resolution. The instrument is located on the UNI-CAT II undulator beamline at the Advanced Photon Source and uses Kirkpatrick-Baez focusing mirrors, differential aperture CCD measurements and automated analysis of spatially-resolved Laue patterns. 3D x-ray structural microscopy is applicable to a wide range of materials investigations and here we describe 3D thermal grain growth studies in polycrystalline aluminum ( ˜1% Fe,Si) from Alcoa. The morphology and orientations of the grains in a hot-rolled aluminum sample were initially mapped. The sample was then annealed to induce grain growth, cooled to room temperature, and the same volume region was re-mapped to determine the thermal migration of all grain boundaries. Significant grain growth was observed after annealing above ˜350^oC where both low-angle and high-angle boundaries were mobile. These measurements will provide the detailed 3D experimental input needed for testing theories and computer models of 3D grain growth in bulk materials.

Adjoint-based optimization of mechanical performance in polycrystalline materials and structures through texture control

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

Gu, Grace; Brown, Judith Alice; Bishop, Joseph E.

The texture of a polycrystalline material refers to the preferred orientation of the grains within the material. In metallic materials, texture can significantly affect the mechanical properties such as elastic moduli, yield stress, strain hardening, and fracture toughness. Recent advances in additive manufacturing of metallic materials offer the possibility in the not too distant future of controlling the spatial variation of texture. In this work, we investigate the advantages, in terms of mechanical performance, of allowing the texture to vary spatially. We use an adjoint-based gradient optimization algorithm within a finite element solver (COMSOL) to optimize several engineering quantities ofmore » interest in a simple structure (hole in a plate) and loading (uniaxial tension) condition. As a first step to general texture optimization, we consider the idealized case of a pure fiber texture in which the homogenized properties are transversely isotropic. In this special case, the only spatially varying design variables are the three Euler angles that prescribe the orientation of the homogenized material at each point within the structure. This work paves a new way to design metallic materials for tunable mechanical properties at the microstructure level.« less

Magnetic force microscopy studies in bulk polycrystalline iron

NASA Astrophysics Data System (ADS)

Abuthahir, J.; Kumar, Anish

2018-02-01

The paper presents magnetic force microscopy (MFM) studies on the effect of crystallographic orientation and external magnetic field on magnetic microstructure in a bulk polycrystalline iron specimen. The magneto crystalline anisotropic effect on the domain structure is characterized with the support of electron backscatter diffraction study. The distinct variations in magnetic domain structure are observed based on the crystallographic orientation of the grain surface normal with respect to the cube axis i.e. the easy axis of magnetization. Further, the local magnetization behavior is studied in-situ by MFM in presence of external magnetic field in the range of -2000 to 2000 Oe. Various micro-magnetization phenomena such as reversible and irreversible domain wall movements, expansion and contraction of domains, Barkhausen jump, bowing of a pinned domain wall and nucleation of a spike domain are visualized. The respective changes in the magnetic microstructure are compared with the bulk magnetization obtained using vibrating sample magnetometer. Bowing of a domain wall, pinned at two points, upon application of magnetic field is used to estimate the domain wall energy density. The MFM studies in presence of external field applied in two perpendicular directions are used to reveal the influence of the crystalline anisotropy on the local micro-magnetization.

Fabrication of flexible Ir and Ir-Rh wires and application for thermocouple

NASA Astrophysics Data System (ADS)

Murakami, Rikito; Kamada, Kei; Shoji, Yasuhiro; Yokota, Yuui; Yoshino, Masao; Kurosawa, Shunsuke; Ohashi, Yuji; Yamaji, Akihiro; Yoshikawa, Akira

2018-04-01

The fabrication and thermal electromotive force characteristics of Ir/Ir-Rh thermocouples capable of repeated bending deformation are described. Ir and Ir-Rh wires with a diameter of 0.5 mm were fabricated using the alloy-micro-pulling-down method. Scanning electron microscopy and electron backscattering diffraction of the radial cross section of the grown wires were performed to investigate the microstructure and orientation of the crystal grains. At the start of growth, the microstructure was polycrystalline with diameters of several hundred micrometers, while at the 8-m growth point it was found to be monocrystalline. The observed single crystals of pure Ir and Ir-Rh alloy were oriented in the 〈1 1 3〉 and 〈1 1 2〉 directions, respectively, whereas the polycrystalline Ir-Rh samples showed preferential growth in the 〈1 0 0〉 direction. The thermal electromotive force of the fabricated Ir/Ir-Rh thermocouple was measured by the comparison technique and the fixed-point technique, and the thermoelectric power was estimated to be 5.9 μV/°C in the range from 600°C to 1100°C.

Effects of Sn Layer Orientation on the Evolution of Cu/Sn Interfaces

NASA Astrophysics Data System (ADS)

Sun, Menglong; Zhao, Zhangjian; Hu, Fengtian; Hu, Anmin; Li, Ming; Ling, Huiqin; Hang, Tao

2018-03-01

The effects of Sn layer orientation on the evolution of Cu/Sn joint interfaces were investigated. Three Sn layers possessing (112), (321) and (420) orientations were electroplated on polycrystalline Cu substrates respectively. The orientations of Sn layer preserved during reflowing at 250 °C for 10 s. After aging at 150 °C for different time, the interfacial microstructures were observed from the cross-section and top-view. The alignment between the c-axis of Sn and Cu diffusion direction significantly sped up the Cu diffusion, leading to the thickest intermetallic compound layer formed in (112) joint. Two types of voids, namely, intracrystalline voids and grain islanding caused intercrystalline voids generated at Cu/Cu3Sn interfaces due to the different interdiffusion coefficients of Cu and Sn (112) oriented Sn/Cu joint produced many more voids than (321) joint, and no voids were detected in (420) joint. Therefore, to enhance the reliability of solder joints, using (420) oriented Sn as solder layer could be an efficient way.

Influence of Fiber Orientation on Single-Point Cutting Fracture Behavior of Carbon-Fiber/Epoxy Prepreg Sheets.

PubMed

Wei, Yingying; An, Qinglong; Cai, Xiaojiang; Chen, Ming; Ming, Weiwei

2015-10-02

The purpose of this article is to investigate the influences of carbon fibers on the fracture mechanism of carbon fibers both in macroscopic view and microscopic view by using single-point flying cutting method. Cutting tools with three different materials were used in this research, namely, PCD (polycrystalline diamond) tool, CVD (chemical vapor deposition) diamond thin film coated carbide tool and uncoated carbide tool. The influence of fiber orientation on the cutting force and fracture topography were analyzed and conclusions were drawn that cutting forces are not affected by cutting speeds but significantly influenced by the fiber orientation. Cutting forces presented smaller values in the fiber orientation of 0/180° and 15/165° but the highest one in 30/150°. The fracture mechanism of carbon fibers was studied in different cutting conditions such as 0° orientation angle, 90° orientation angle, orientation angles along fiber direction, and orientation angles inverse to the fiber direction. In addition, a prediction model on the cutting defects of carbon fiber reinforced plastic was established based on acoustic emission (AE) signals.

Influence of Fiber Orientation on Single-Point Cutting Fracture Behavior of Carbon-Fiber/Epoxy Prepreg Sheets

PubMed Central

Wei, Yingying; An, Qinglong; Cai, Xiaojiang; Chen, Ming; Ming, Weiwei

2015-01-01

The purpose of this article is to investigate the influences of carbon fibers on the fracture mechanism of carbon fibers both in macroscopic view and microscopic view by using single-point flying cutting method. Cutting tools with three different materials were used in this research, namely, PCD (polycrystalline diamond) tool, CVD (chemical vapor deposition) diamond thin film coated carbide tool and uncoated carbide tool. The influence of fiber orientation on the cutting force and fracture topography were analyzed and conclusions were drawn that cutting forces are not affected by cutting speeds but significantly influenced by the fiber orientation. Cutting forces presented smaller values in the fiber orientation of 0/180° and 15/165° but the highest one in 30/150°. The fracture mechanism of carbon fibers was studied in different cutting conditions such as 0° orientation angle, 90° orientation angle, orientation angles along fiber direction, and orientation angles inverse to the fiber direction. In addition, a prediction model on the cutting defects of carbon fiber reinforced plastic was established based on acoustic emission (AE) signals. PMID:28793597

The effect of syntectonic hydration on rock strength, fabric evolution, and polycrystalline flow in mafic lower continental crust rocks

NASA Astrophysics Data System (ADS)

Getsinger, A.; Hirth, G.

2014-12-01

Strain localization is significantly enhanced by the influx of fluid; however, processes associated with deformation in polycrystalline material, fluid infiltration, and the evolution of creep processes and rock fabric with increasing strain localization are not well constrained for many lower crust lithologies. We combine field and experimental observations of mafic rocks deforming at lower crust pressure, temperature, and water conditions to examine strain localization processes associated with the influx of fluid, strength dependence of fabric evolution, and flow law parameters for amphibolite. General shear experiments were conducted in a Griggs rig on powdered basalt (≤5 µm starting grain size) with up to 1 wt% water at lower continental crust conditions (750˚ to 850˚C, 1GPa). Amphibole formed during deformation exhibits both a strong shape preferred orientation (SPO) and lattice preferred orientation (LPO). With increasing strain, the amphibole (and clinopyroxene) LPO strengthens and rotates to [001] maximum aligned sub-parallel to the flow direction and SPO, which indicates grain rotation during deformation. Plagioclase LPO increases from random to very weak in samples deformed to high strain. As the amphibole LPO rotates and strengthens, the mechanical strength decreases. The correlation of the SPO and LPO coupled with the rheological evidence for diffusion creep (n ≈ 1.5) indicates that the amphibole fabric results from grain growth and rigid grain rotation during deformation. The coevolution of LPO (and grain rotation) and mechanical weakening coupled with the absence of grain size reduction in our samples suggests that strength depends on the formation of a strong mineral LPO. Both our field and experimental data demonstrate that fluid intrusion into the mafic lower crust initiates syn-deformational, water-consuming reactions, creating a rheological contrast between wet and dry lithologies that promotes strain localization. Additionally, the rheology of both naturally deformed amphibolite shear zones and our fine-grained experimental amphibolite is comparable to that predicted using flow laws for wet anorthite. Thus, both our experimental and field analyses indicate that wet plagioclase rheology provides a good constraint on the strength of hydrated lower continental crust.

Effect of dipolar fields, surface termination, and surface orientation on photochemical reactions on transition metal oxides

NASA Astrophysics Data System (ADS)

Giocondi, Jennifer Lynn

Experiments have been conducted to determine the effects of dipolar fields, surface termination, and surface orientation on the photochemical reactivity of several transition metal oxides. These compounds include BaTiO3, SrTiO3, BaTi4O9, Sr2Nb2O 7, and Sr2Ta2O7 which were studied as polycrystalline ceramics, single crystals, micron-sized faceted particles, or some combination of these forms. The reduction of Ag+ from an aqueous AgNO3 solution (Ag0 product) and the oxidation of Pb2+ from an aqueous lead acetate solution (PbO 2 product) were selected as probe reactions because they leave insoluble products on the oxide surfaces. The reactivity of ferroelectric BaTiO3 was dominated by the effect of dipolar fields on the transport of photogenerated charge carriers. Silver was reduced on domains with a positive surface charge while lead was oxidized on domains with a negative surface charge. This reactivity implies that the dipolar field in individual domains drives photogenerated charge carriers to oppositely charged surfaces. This reaction mechanism results in a physical separation of the photogenerated charge carriers and the locations of the oxidation and reduction half reactions on the catalyst surface. Experiments performed on polycrystalline ceramics, single crystals, and micron-sized particles all showed this domain specific reactivity. SrTiO3 has the ideal cubic perovskite structure from which the tetragonally distorted ferroelectric BaTiO3 phase is derived. Polished and annealed surfaces of randomly oriented grain surfaces were bound by some combination of the following three planes: {110}, {111}, and a complex facet inclined approximately 24° from {100}. Surfaces with the complex {100} facet were found to be the most active for Ag reduction. Single crystal studies also showed that the nonpolar (100) surface is the most reactive and that the composition of the termination layer does not influence this reaction. However, the polar (111) and (110) surfaces had a non-uniform distribution of reaction products. For these orientations, the location of the reduction and oxidation reactions is determined by the chemical and charge terminations of the different terraces or facets. The reactivity for silver reduction on the faceted particles is ranked as (100) > (111) > (110) while the (100) surface was least reactive for lead oxidation. Overall, these results show that the photochemical reactivity of SrTiO3 is anisotropic and that on polar surfaces, dipolar fields arising from charged surface domains influence the transport of photogenerated charge carriers and promote spatially selective oxidation and reduction reactions. (Abstract shortened by UMI.)

Coercivity and Exchange Bias Study of Polycrystalline Hollow Nanoparticles

NASA Astrophysics Data System (ADS)

Bah, Mohamed Alpha

Magnetic nanoparticles (NPs) have the potential to be useful in a variety of applications such as biomedical instruments, catalysis, sensing, recording information, etc. These nanoparticles exhibit remarkably different properties compared to their bulk counter parts. Synthesis of magnetic NPs with the right morphology, phase, size and surface functionality, as well as their usage for specific applications are challenging in terms of efficiency and safety. Morphology wise, there have been numerous reports on magnetic nanoparticles where morphologies such as core/shell, hollow, solid, etc., have been explored. It has been shown that morphology affects the magnetic response. Achieving the right crystal structure with required morphology and the magnetic behavior of the nanoparticle phases determines the magnetic response of the structure. For example, in the case of core/shell NPs various ferromagnetic (FM), ferrimagnetic (FiM), and antiferromagnetic (AFM) core and shell combinations have been reported. In these cases, interesting and strikingly different features, such as unusually high spin glass transition temperature, large exchange bias, finite size effects, magnetic proximity effects, unusual trend of blocking temperature as function of average crystal size, etc., have been reported. More specifically, the morphology of core/shell nanoparticles provides added degrees of freedom compared to conventional solid magnetic nanoparticles, including variations in the size, phase and material of the core and shell of the particle, etc. which helps enhance their magnetic properties. Similar to traditional core/shell nanoparticles, inverted core/shell having a FiM or FM order above the Curie temperature (TC) of the shell has been reported where the Neel temperature (TN) is comparable with the bulk value and there is nonmonotonic dependence of the coercive field (HC) and exchange bias (HEB) on the core diameter. In addition to the core/shell morphology, nanoparticles with hollow morphology are also of interest to the scientific community. For such cases, surface spin glass transition enhancements have been reported due to the presence of the additional inner surface. CoFe2O4, NiFe 2O4 and gamma-Fe2O3 hollow nanoparticles exhibit strikingly contrasting magnetic behavior compared to bulk and conventional solid particles; similar behavior was also observed in core/shell nanoparticles. Structurally, hollow polycrystalline nanoparticles are composed of multiple crystallographic domains. This random orientation of the crystallographic domains also causes randomization of the local anisotropy axes. Hence the overall effect of this morphology on the magnetic properties is exhibited through the high coercivity, relatively high temperature magnetic irreversibility, lack of magnetic saturation, high blocking temperature, etc. Over the years, extensive work on core/shell nanoparticles have been carried out to understand their exchange bias phenomenon and the effect on coercivity. Recently, focus has been given to hollow polycrystalline nanoparticles for the reason mentioned above. This thesis investigates the root cause for the above-mentioned effects on the coercivity and exchange bias. Since hollow nanoparticles with polycrystalline structure have shown to exhibit different and improved magnetic behavior compared to bulk and other conventional solid particles, they will be the focus of our investigation. First, extensive field and temperature dependent magnetic study on polycrystalline hollow nickel ferrite (NiFe2O4) have revealed the effect of the presence of inner surface in a single oxide nanoparticle. Second, the effect of having multiple oxides with different magnetic properties (i.e. FM and AFM) in a single nanoparticle, while maintaining a hollow morphology was investigated by studying polycrystalline hollow gamma-Mn2O3 and MnO nanoparticles. Studies on various conventional solid manganese oxide nanoparticles have already been reported. Therefore, focus was only made on the fabrication and magnetic study of hollow polycrystalline manganese oxide, with a comparison of the results to those from solid nanoparticles already available in literature. A conclusion was drawn to the importance of the coupling of different magnetic phases (i.e. FM and AFM, FiM and AFM, or SG and AFM), in contrast to just having one single oxide in the hollow nanoparticles. Finally, the importance of this coupling as compared to the increase of surface-to-volume ratio was evaluated in CoO/Co3O4/CoFe2O4 polycrystalline hollow nanoparticles by varying the AFM phase (CoO/Co 3O4) in the nanoparticles and observing how the magnetic properties varied. This system helped address the effect of the coupling between different magnetic phases, super-exchange interaction, and proximity effect.

Polycrystalline Superconducting Thin Films: Texture Control and Critical Current Density

NASA Astrophysics Data System (ADS)

Yang, Feng

1995-01-01

The growth processes of polycrystalline rm YBa_2CU_3O_{7-X} (YBCO) and yttria-stabilized-zirconia (YSZ) thin films have been developed. The effectiveness of YSZ buffer layers on suppression of the reaction between YBCO thin films and metallic substrates was carefully studied. Grown on the chemically inert surfaces of YSZ buffer layers, YBCO thin films possessed good quality of c-axis alignment with the c axis parallel to the substrate normal, but without any preferred in-plane orientations. This leads to the existence of a large percentage of the high-angle grain boundaries in the YBCO films. The critical current densities (rm J_{c}'s) found in these films were much lower than those in single crystal YBCO thin films, which was the consequence of the weak -link effect of the high-angle grain boundaries in these films. It became clear that the in-plane alignment is vital for achieving high rm J_{c }s in polycrystalline YBCO thin films. To induce the in-plane alignment, ion beam-assisted deposition (IBAD) technique was integrated into the conventional pulsed laser deposition process for the growth of the YSZ buffer layers. It was demonstrated that using IBAD the in-plane orientations of the YSZ grains could be controlled within a certain range of a common direction. This ion -bombardment induced in-plane texturing was explained using the anisotropic sputtering yield theory. Our observations and analyses have provided valuable information on the optimization of the IBAD process, and shed light on the texturing mechanism in YSZ. With the in-plane aligned YSZ buffer layers, YBCO thin films grown on metallic substrates showed improved rm J_{c}s. It was found that the in-plane alignment of YSZ and that of YBCO were closely related. A direct correlation was revealed between the rm J_{c} value and the degree of the in-plane alignment for the YBCO thin films. To explain this correlation, a numerical model was applied to multi-grain superconducting paths with different textures to determine the expected rm J_{c}s. The good agreement between the experimental data and numerical results confirmed that the rm J_{c} improvement directly resulted from the reduction of the number of high-angle grain boundaries in the in-plane aligned polycrystalline YBCO thin films, and provided a guideline on the further improvement of the rm J_ {c}s of polycrystalline YBCO thin films.

Crystalline orientation engineering and charge transport in thin film YBa(2)Cu(3)O(7-x) superconducting surface-coated conductors

NASA Astrophysics Data System (ADS)

Chudzik, Michael Patrick

The weak-link behavior of grain boundaries in polycrystalline high-T c superconductors adversely affects the current density in these materials. The development of wire technology based on polycrystalline high-Tc materials requires understanding and controlling the development of low-angle grain boundaries in these conductors. The research goal is to comprehensively examine the methodology in fabrication and characterization to understand the structure-transport correlation in YBa2Cu3O 7-x (YBCO) surface-coated conductors. High current density YBCO coated conductors were fabricated and characterized as candidates for second generation high-Tc wire technology. Critical current densities (Jc) greater than 1 x 106 A/cm2 at 77 K and zero magnetic field were obtained using thin films epitaxially grown by metalorganic chemical vapor deposition (MOCVD) and pulsed laser deposition (PLD) on oriented buffer layers. The biaxially textured oxide buffer layers were deposited by ion-beam-assisted deposition (IBAD). The transport properties of coated conductors were evaluated in high magnetic fields for intrinsic and extrinsic flux vortex pinning effects for improved high-field properties. Transport Jc's of these coated conductors at 7 tesla (77 K) were measured at values greater than 105 A/cm 2 with the magnetic field perpendicular to the YBCO c-axis (B⊥ c) in both MOCVD and PLD derived conductors. The Jc's in B || c orientation fell an order of magnitude lower at 7 tesla to values near 10 4 A/cm2 due to decreased intrinsic flux pinning. The critical current densities as a function of grain boundary misorientation were found to deviate from the general trend determined for single grain boundary junctions, due to the mosaic structure, which allows meandering current flow. Extensive parametric investigations of relevant thin film growth techniques were utilized to establish growth-property relationships that led to optimized fabrication of high-Tc conductors. The work contained in this dissertation successfully addresses the challenge in engineering low-angle grain boundary polycrystalline conductors for high-current high-field applications and develops a structure-property correlation, which is essential for advancing this technology.

GaAs Photovoltaics on Polycrystalline Ge Substrates

NASA Technical Reports Server (NTRS)

Wilt, David M.; Pal, AnnaMaria T.; McNatt, Jeremiah S.; Wolford, David S.; Landis, Geoffrey A.; Smith, Mark A.; Scheiman, David; Jenkins, Phillip P.; McElroy Bruce

2007-01-01

High efficiency III-V multijunction solar cells deposited on metal foil or even polymer substrates can provide tremendous advantages in mass and stowage, particularly for planetary missions. As a first step towards that goal, poly-crystalline p/i/n GaAs solar cells are under development on polycrystalline Ge substrates. Organo Metallic Vapor Phase Epitaxy (OMVPE) parameters for pre-growth bake, nucleation and deposition have been examined. Single junction p/i/n GaAs photovoltaic devices, incorporating InGaP front and back window layers, have been grown and processed. Device performance has shown a dependence upon the thickness of a GaAs buffer layer deposited between the Ge substrate and the active device structure. A thick (2 m) GaAs buffer provides for both increased average device performance as well as reduced sensitivity to variations in grain size and orientation. Illumination under IR light (lambda > 1 micron), the cells showed a Voc, demonstrating the presence of an unintended photoactive junction at the GaAs/Ge interface. The presence of this junction limited the efficiency to approx.13% (estimated with an anti-refection coating) due to the current mismatch and lack of tunnel junction interconnect.

Natural occurrence of pure nano-polycrystalline diamond from impact crater

NASA Astrophysics Data System (ADS)

Ohfuji, Hiroaki; Irifune, Tetsuo; Litasov, Konstantin D.; Yamashita, Tomoharu; Isobe, Futoshi; Afanasiev, Valentin P.; Pokhilenko, Nikolai P.

2015-10-01

Consolidated bodies of polycrystalline diamond with grain sizes less than 100 nm, nano-polycrystalline diamond (NPD), has been experimentally produced by direct conversion of graphite at high pressure and high temperature. NPD has superior hardness, toughness and wear resistance to single-crystalline diamonds because of its peculiar nano-textures, and has been successfully used for industrial and scientific applications. Such sintered nanodiamonds have, however, not been found in natural mantle diamonds. Here we identified natural pure NPD, which was produced by a large meteoritic impact about 35 Ma ago in Russia. The impact diamonds consist of well-sintered equigranular nanocrystals (5-50 nm), similar to synthetic NPD, but with distinct [111] preferred orientation. They formed through the martensitic transformation from single-crystal graphite. Stress-induced local fragmentation of the source graphite and subsequent rapid transformation to diamond in the limited time scale result in multiple diamond nucleation and suppression of the overall grain growth, producing the unique nanocrystalline texture of natural NPD. A huge amount of natural NPD is expected to be present in the Popigai crater, which is potentially important for applications as novel ultra-hard material.

Advanced Micro-Polycrystalline Silicon Films Formed by Blue-Multi-Laser-Diode Annealing

NASA Astrophysics Data System (ADS)

Noguchi, Takashi; Chen, Yi; Miyahira, Tomoyuki; de Dieu Mugiraneza, Jean; Ogino, Yoshiaki; Iida, Yasuhiro; Sahota, Eiji; Terao, Motoyasu

2010-03-01

Semiconductor blue-multi-laser-diode annealing (BLDA) for amorphous Si film was performed to obtain a film containing uniform polycrystalline silicon (poly-Si) grains as a low temperature poly-Si (LTPS) process used for thin-film transistor (TFT). By adopting continuous wave (CW) mode at the 445 nm wavelength of the BLDA system, the light beam is efficiently absorbed into the thin amorphous silicon film of 50 nm thickness and can be crystallized stably. By adjusting simply the laser power below 6 W with controlled beam shape, the isotropic Si grains from uniform micro-grains to arbitral grain size of polycrystalline phase can be obtained with reproducible by fixing the scan speed at 500 mm/s. As a result of analysis using electron microscopy and atomic force microscopy (AFM), uniform distributed micro-poly-Si grains of smooth surface were observed at a power condition below 5 W and the preferred crystal orientation of (111) face was confirmed. As arbitral grain size can be obtained stably and reproducibly merely by controlling the laser power, BLDA is promising as a next-generation LTPS process for AM OLED panel including a system on glass (SoG).

Natural occurrence of pure nano-polycrystalline diamond from impact crater

PubMed Central

Ohfuji, Hiroaki; Irifune, Tetsuo; Litasov, Konstantin D.; Yamashita, Tomoharu; Isobe, Futoshi; Afanasiev, Valentin P.; Pokhilenko, Nikolai P.

2015-01-01

Consolidated bodies of polycrystalline diamond with grain sizes less than 100 nm, nano-polycrystalline diamond (NPD), has been experimentally produced by direct conversion of graphite at high pressure and high temperature. NPD has superior hardness, toughness and wear resistance to single-crystalline diamonds because of its peculiar nano-textures, and has been successfully used for industrial and scientific applications. Such sintered nanodiamonds have, however, not been found in natural mantle diamonds. Here we identified natural pure NPD, which was produced by a large meteoritic impact about 35 Ma ago in Russia. The impact diamonds consist of well-sintered equigranular nanocrystals (5–50 nm), similar to synthetic NPD, but with distinct [111] preferred orientation. They formed through the martensitic transformation from single-crystal graphite. Stress-induced local fragmentation of the source graphite and subsequent rapid transformation to diamond in the limited time scale result in multiple diamond nucleation and suppression of the overall grain growth, producing the unique nanocrystalline texture of natural NPD. A huge amount of natural NPD is expected to be present in the Popigai crater, which is potentially important for applications as novel ultra-hard material. PMID:26424384

Fatigue pre-cracking and fracture toughness in polycrystalline tungsten and molybdenum

NASA Astrophysics Data System (ADS)

Taguchi, Katsuya; Nakadate, Kazuhito; Matsuo, Satoru; Tokunaga, Kazutoshi; Kurishita, Hiroaki

2018-01-01

Fatigue pre-cracking performance and fracture toughness in polycrystalline tungsten (W) and molybdenum (Mo) have been investigated in relation to grain boundary (GB) configuration with respect to the crack advance direction. Sub-sized, single edge notched bend (SENB) specimens with three different orientations, R-L (ASTM notation) for a forged Mo rod and L-S and T-S for a rolled W plate, were pre-cracked in two steps: fully uniaxial compression fatigue loading to provoke crack initiation and its stable growth from the notch root, and subsequent 3-point bend (3PB) fatigue loading to extend the crack. The latter step intends to minimize the influence of the residual tensile stresses generated during compression fatigue by moving the crack tip away from the plastic zone. It is shown that fatigue pre-cracking performance, especially pre-crack extension behavior, is significantly affected by the specimen orientation. The R-L orientation, giving the easiest cracking path, permitted crack extension completely beyond the plastic zone, while the L-S and T-S orientations with the thickness cracking direction of the rolled plate sustained the crack lengths around or possibly within the plastic zone size due to difficulty in crack advance through an aligned grain structure. Room temperature fracture toughness tests revealed that the 3PB fatigued specimens exhibited appreciably higher fracture toughness by about 30% for R-L, 40% for L-S and 60% for T-S than the specimens of each orientation pre-cracked by compression fatigue only. This indicates that 3PB fatigue provides the crack tip front out of the residual tensile stress zone by crack extension or leads to reduction in the residual stresses at the crack tip front. Strong dependence of fracture toughness on GB configuration was evident. The obtained fracture toughness values are compared with those in the literature and its strong GB configuration dependence is discussed in connection with the appearance of pop-in.

X-ray diffraction and Raman investigations of thickness dependent stress effects on Pb(ZrxTi1-x)O3 thin films

NASA Astrophysics Data System (ADS)

Lappalainen, Jyrki; Lantto, Vilho; Frantti, Johannes; Hiltunen, Jussi

2006-06-01

Microstructure, film orientation, and optical transmission spectra of polycrystalline Nd-modified Pb(ZrxTi1-x)O3 films were studied as a function of film thickness. Pulsed laser deposition was used for the fabrication of films with thickness from 80to465nm on single-crystal MgO(100) substrates. Raman spectroscopy, x-ray diffraction, and spectrophotometry measurements were utilized in the film characterization. With the decreasing film thickness, films first oriented with c axis perpendicular to film surface, and then, after some critical thickness, changed to a-axis orientation. At the same time, compressive stress increased up to 1.3GPa and a clear blueshift of the optical absorption edge was found in transmission spectra.

Hetero-Orientation Epitaxial Growth of TiO2 Splats on Polycrystalline TiO2 Substrate

NASA Astrophysics Data System (ADS)

Chen, Lin; Yang, Guan-Jun

2018-05-01

In the present study, the effect of titania (TiO2) substrate grain size and orientation on the epitaxial growth of TiO2 splat was investigated. Interestingly, the splat presented comparable grain size with that of substrate, indicating the hereditary feature of grain size. In addition, hetero- and homo-orientation epitaxial growth was observed at deposition temperatures below 400 °C and above 500 °C, respectively. The preferential growth of high-energy (001) face was also observed at low deposition temperatures (≤ 400 °C), which was found to result from dynamic nonequilibrium effect during the thermal spray deposition. Moreover, thermal spray deposition paves the way for a new approach to prepare high-energy (001) facets of TiO2 crystals.

A multi-scale homogenization model for fine-grained porous viscoplastic polycrystals: I - Finite-strain theory

NASA Astrophysics Data System (ADS)

Song, Dawei; Ponte Castañeda, P.

2018-06-01

We make use of the recently developed iterated second-order homogenization method to obtain finite-strain constitutive models for the macroscopic response of porous polycrystals consisting of large pores randomly distributed in a fine-grained polycrystalline matrix. The porous polycrystal is modeled as a three-scale composite, where the grains are described by single-crystal viscoplasticity and the pores are assumed to be large compared to the grain size. The method makes use of a linear comparison composite (LCC) with the same substructure as the actual nonlinear composite, but whose local properties are chosen optimally via a suitably designed variational statement. In turn, the effective properties of the resulting three-scale LCC are determined by means of a sequential homogenization procedure, utilizing the self-consistent estimates for the effective behavior of the polycrystalline matrix, and the Willis estimates for the effective behavior of the porous composite. The iterated homogenization procedure allows for a more accurate characterization of the properties of the matrix by means of a finer "discretization" of the properties of the LCC to obtain improved estimates, especially at low porosities, high nonlinearties and high triaxialities. In addition, consistent homogenization estimates for the average strain rate and spin fields in the pores and grains are used to develop evolution laws for the substructural variables, including the porosity, pore shape and orientation, as well as the "crystallographic" and "morphological" textures of the underlying matrix. In Part II of this work has appeared in Song and Ponte Castañeda (2018b), the model will be used to generate estimates for both the instantaneous effective response and the evolution of the microstructure for porous FCC and HCP polycrystals under various loading conditions.

Deformation, recrystallization, strength, and fracture of press-forged ceramic crystals.

NASA Technical Reports Server (NTRS)

Rice, R. W.

1972-01-01

Sapphire and ruby were very difficult to press-forge because they deformed without cracking only in a limited temperature range before they melted. Spinel crystals were somewhat easier and MgO, CaO, and TiC crystals much easier to forge. The degree of recrystallization that occurred during forging (which was related to the ease and type of slip intersections) varied from essentially zero in Al2O3 to complete (i.e., random polycrystalline bodies were produced) in CaO. Forging of bi- and polycrystalline bodies produced incoherent bodies as a result of grain-boundary sliding. Strengths of the forged crystals were comparable to those of dense polycrystalline bodies of similar grain size. However, forged and recrystallized CaO crystals were ductile at lower temperatures than dense hot-pressed CaO. This behavior is attributed to reduced grain-boundary impurities and porosity. Fracture origins could be located, indicating that fracture in the CaO occurs internally as a result of surface work hardening caused by machining.-

Structural Design Parameters for Germanium

NASA Technical Reports Server (NTRS)

Salem, Jon; Rogers, Richard; Baker, Eric

2017-01-01

The fracture toughness and slow crack growth parameters of germanium supplied as single crystal beams and coarse grain disks were measured. Although germanium is anisotropic (A* 1.7), it is not as anisotropic as SiC, NiAl, or Cu. Thus the fracture toughness was similar on the 100, 110, and 111 planes, however, measurements associated with randomly oriented grinding cracks were 6 to 30 higher. Crack extension in ring loaded disks occurred on the 111 planes due to both the lower fracture energy and the higher stresses on stiff 111 planes. Germanium exhibits a Weibull scale effect, but does not exhibit significant slow crack growth in distilled water. (n 100), implying that design for quasi static loading can be performed with scaled strength statistics. Practical values for engineering design are a fracture toughness of 0.69 0.02 MPam (megapascals per square root meter) and a Weibull modulus of m 6 2. For well ground and reasonable handled coupons, average fracture strength should be greater than 40 megapascals. Aggregate, polycrystalline elastic constants are Epoly 131 gigapascals, vpoly 0.22.

Spray deposition of highly transparent fluorine doped cadmium oxide thin films

NASA Astrophysics Data System (ADS)

Deokate, R. J.; Pawar, S. M.; Moholkar, A. V.; Sawant, V. S.; Pawar, C. A.; Bhosale, C. H.; Rajpure, K. Y.

2008-01-01

The cadmium oxide (CdO) and F:CdO films have been deposited by spray pyrolysis method using cadmium acetate and ammonium fluoride as precursors for Cd and F ions, respectively. The effect of temperature and F doping on the structural, morphological, optical and Hall effect properties of sprayed CdO thin films was investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), optical absorption and electrical measurement techniques. TGA and DTA studies, indicates the formation of CdO by decomposition of cadmium acetate after 250 °C. XRD patterns reveal that samples are polycrystalline with cubic structure and exhibits (2 0 0) preferential orientation. Considerable broading of (2 0 0) peak, simultaneous shifting of corresponding Bragg's angle have been observed with respect to F doping level. SEM and AFM show the heterogeneous distribution of cubical grains all over the substrate, which are randomly distributed. F doping shifts the optical gap along with the increase in the transparency of CdO films. The Hall effect measurement indicates that the resistivity and mobility decrease up to 4% F doping.

Investigations on structural and multiferroic properties of artificially engineered lead zirconate titanate-cobalt iron oxide layered nanostructures

NASA Astrophysics Data System (ADS)

Ortega Achury, Nora Patricia

Mutiferroics are a novel class of next generation multifunctional materials, which display simultaneous magnetic, electric, and ferroelastic ordering, have drawn increasing interest due to their multi-functionality for a variety of device applications. Since, very rare single phase materials exist in nature this kind of properties, an intensive research activity is being pursued towards the development of new engineered materials with strong magneto-electric (ME) coupling. In the present investigation, we have fabricated polycrystalline and highly oriented PbZr0.53,Ti0.47O3--CoFe 2O4 (PZT/CFO) artificially multilayers (MLs) engineered nanostructures thin films which were grown on Pt/TiO2/SiO2/Si and La 0.5Sr0.5CoO3 (LSCO) coated (001) MgO substrates respectively, using the pulsed laser deposition technique. The effect of various PZT/CFO sandwich configurations having 3, 5, and 9 layers, while maintaining similar total PZT and CFO thickness, has been systematically investigated. The first part of this thesis is devoted to the analysis of structural and microstructure properties of the PZT/CFO MLs. X-ray diffraction (XRD) and micro Raman analysis revealed that PZT and CFO were in the perovskite and spinel phases respectively in the all layered nanostructure, without any intermediate phase. The TEM and STEM line scan of the ML thin films showed that the layered structure was maintained with little inter-diffusion near the interfaces at nano-metric scale without any impurity phase, however better interface was observed in highly oriented films. Second part of this dissertation was dedicated to study of the dielectric, impedance, modulus, and conductivity spectroscopies. These measurements were carried out over a wide range of temperatures (100 K to 600 K) and frequencies (100 Hz to 1 MHz) to investigate the grain and grain boundary effects on electrical properties of MLs. The temperature dependent dielectric and loss tangent illustrated step-like behavior and relaxation peaks near the step-up characteristic respectively. The Cole-Cole plots indicate that the most of the dielectric response came from the bulk (grains) MLs below 300 K, whereas grain boundaries and electrode-MLs effects prominent at elevated temperature. The dielectric loss relaxation peaks shifted to higher frequency side with increase in temperature, finally above 300 K, it went out experimental frequency window. Our Cole-Cole fitting of dielectric loss spectra indicated marked deviation from the ideal Debye type of relaxation which is more prominent at elevated temperature. Master modulus spectra support the observation from impedance spectra, it also indicate that the difference between C g and Cgb are higher compared to polycrystalline MLs indicating less effects of grain boundary in highly oriented MLs. We have explained these electrical properties of MLs by Maxwell-Wagner type contributions arising from the interfacial charge at the interface of the MLs structure. Three different types of frequency dependent conduction process were observed at elevated temperature (>300 K), which well fitted with the double power law, sigma(o) = sigma(0) + A 1on1 + A 2on2, it indicates conduction at: Low frequency (<1 kHz) may be due to long range ordering (frequency independent), mid frequency (<10 kHz) may be due to short range hopping, and high frequency (<1 MHz) due to the localized relaxation hopping mechanism. The last part of the thesis is devoted to the study of the multiferroic and magnetoelectric properties of the ML thin films. Both polycrystalline and highly oriented films showed well saturated ferroelectric and ferromagnetic hysteresis loops at room temperature. Temperature dependence of ferroelectric properties showed that polarization slowly decreases from 300 K to 200 K, with complete collapse of polarization at ˜ 100 K, but there was complete recovery of the polarization during heating, which was repeatable over many different experiments. At the same time, in the same temperature interval the remanent magnetization of the MLs showed slow enhancement in the magnitude till 200 K with three fold increase at 100 K compared to room temperature. This enhancement in remanent magnetization and decrease in remanent ferroelectric polarization on lowering the temperature indicate temperature dependent dynamic switching of ferroelectric polarization. Frequencies and temperatures dependence of the ferroelectric hysteresis loop showed weak frequency dependence for highly oriented MLs, while significant dependence was observed for polycrystalline MLs. The fatigue test showed almost 0-20% deterioration in polarization. The fatigue and strong temperature and frequency dependent magneto-electric coupling suggest the utility of MLs for Dynamic Magneto-Electric Random Access Memory (DMERAM) and magnetic field sensor devices.

Effect of vorticity on polycrystalline ice deformation

NASA Astrophysics Data System (ADS)

Llorens, Maria-Gema; Griera, Albert; Steinbach, Florian; Bons, Paul D.; Gomez-Rivas, Enrique; Jansen, Daniela; Lebensohn, Ricardo A.; Weikusat, Ilka

2017-04-01

Understanding ice sheet dynamics requires a good knowledge of how dynamic recrystallisation controls ice microstructures and rheology at different boundary conditions. In polar ice sheets, pure shear flattening typically occurs at the top of the sheets, while simple shearing dominates near their base. We present a series of two-dimensional microdynamic numerical simulations that couple ice deformation with dynamic recrystallisation of various intensities, paying special attention to the effect of boundary conditions. The viscoplastic full-field numerical modelling approach (VPFFT) (Lebensohn, 2001) is used to calculate the response of a polycrystalline aggregate that deforms purely by dislocation glide. This code is coupled with the ELLE microstructural modelling platform that includes recrystallisation in the aggregate by intracrystalline recovery, nucleation by polygonisation, as well as grain boundary migration driven by the reduction of surface and strain energies (Llorens et al., 2016a, 2016b, 2017). The results reveal that regardless the amount of DRX and ice flow a single c-axes maximum develops all simulations. This maximum is oriented approximately parallel to the maximum finite shortening direction and rotates in simple shear towards the normal to the shear plane. This leads to a distinctly different behaviour in pure and simple shear. In pure shear, the lattice preferred orientation (LPO) and shape-preferred orientation (SPO) are increasingly unfavourable for deformation, leading to hardening and an increased activity of non-basal slip. The opposite happens in simple shear, where the imposed vorticity causes rotation of the LPO and SPO to a favourable orientation, leading to strain softening. An increase of recrystallisation enhances the activity of the non-basal slip, due to the reduction of deformation localisation. In pure shear conditions, the pyramidal slip activity is thus even more enhanced and can become higher than the basal-slip activity. Our results further show that subgrain boundaries can be developed by the activity of the non-basal slip systems. The implementation of the polygonisation routine reduces grain size and SPO, but does not significantly change the final LPO, because newly nucleated grains approximately keep the c-axis orientations of their parental grains. However, it enables the establishment of an equilibrium grain size, and therefore the differential stress reaches a steady-state. Lebensohn. 2001 N-site modelling of a 3D viscoplastic polycrystal using fast Fourier transform. Acta Materialia, 49(14), 2723-2737. Llorens, et al., 2016a. Dynamic recrystallisation of ice aggregates during co-axial viscoplastic deformation: a numerical approach. Journal of Glaciology, 62(232), 359-377. Llorens, et al., 2016b. Full-field predictions of ice dynamic recrystallisation under simple shear conditions, Earth and Planetary Science Letters, 450, 233-242. Llorens, et al., 2017. Dynamic recrystallisation during deformation of polycrystalline ice: insights from numerical simulations, Philosophical Transactions of the Royal Society A, 375 (2086), 20150346.

Structure-Property Relationships in Surface-Modified Ceramics. NATO advanced Science Institutes, Series E: Applied Sciences, Volume 170

DTIC Science & Technology

1989-01-01

channelling and scanning electron microscopy (SEM) of highly oriented pyrolytic graphite ( HOPG ), comparative scratch testing results and some ideas on...electrode graphite , HOPG and carbon fibers also show enhanced wear resistance followoing irradiation (6), the extent of which depends upon the initial...literature dealing with damage effects and physical property changes following neutron irradiation of graphite (single and polycrystalline ) in nuclear

Center for Thin Film Studies

DTIC Science & Technology

1991-01-22

highly oriented pyrolitic graphite ( HOPG ) for detailed studies of nucleation and of the development of surface roughness. Using a shadowing technique, we...laser to a temperature of approximately 600’C, a polycrystalline film resulted, as indicated b x-ray diffraction ( XRD ) data shown in Fig. 4. vI Figure 4...stress level rose in films deposited at colder temperatures. Development of second harmonic generation as a technique for evaluation of anisotropy in

Study of the Effects of Metallurgical Factors on the Growth of Fatigue Microcracks.

DTIC Science & Technology

1987-11-25

polycrystalline) yield stress. 8. The resulting model, predicated on the notion of orientation-dependent microplastic grains, predicts quantitatively the entire...Figure 5. Predicted crack growth curves for small cracks propagating from a microplastic grain into elastic-plastic, contiguous grains; Ao is defined as...or the crack tip opening *displacement, 6. Figure 5. Predicted crack growth curves for small cracks propagating from a microplastic grain into

Magnetostrictive performance of additively manufactured CoFe rods using the LENS (TM) system

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

Jones, Nicholas J.; Yoo, Jin-Hyeong; Ott, Ryan T.

Magnetostrictive materials exhibit a strain in the presence of a variable magnetic field. While they normally require large, highly oriented crystallographic grains for high strain values, metal additive manufacturing (3D printing) may be able to produce highly textured polycrystalline rods, with properties comparable to those manufactured using the more demanding free standing zone melting (FSZM) technique. Rods of Co 75.8Fe 24.2 and Co 63.7Fe 36.3 have been fabricated using the Laser engineered net shaping (LENS TM) system to evaluate the performance of additively manufactured magnetic and magnetostrictive materials. The 76% Co sample showed an average magnetostriction (λ) of 86 ppmmore » at a stress of 124 MPa; in contrast, the 64% Co sample showed only 27 ppm at the same stress. For direct comparison, a Co 67Fe 33 single crystal disk, also measured as part of this study, exhibited a magnetostriction value of 131 and 91 microstrain in the [100] and [111] directions, respectively, with a calculated polycrystalline value (λ s) of 107 microstrain. Electron back scattered diffraction (EBSD) has been used to qualitatively link the performance with crystallographic orientation and phase information, showing only the BCC phase in the 76% Co sample, but three different phases (BCC, FCC, and HCP) in the 64% Co sample.« less

Magnetostrictive performance of additively manufactured CoFe rods using the LENSTM system

NASA Astrophysics Data System (ADS)

Jones, Nicholas J.; Yoo, Jin-Hyeong; Ott, Ryan T.; Lambert, Paul K.; Petculescu, Gabriela; Simsek, Emrah; Schlagel, Deborah; Lograsso, Thomas A.

2018-05-01

Magnetostrictive materials exhibit a strain in the presence of a variable magnetic field. While they normally require large, highly oriented crystallographic grains for high strain values, metal additive manufacturing (3D printing) may be able to produce highly textured polycrystalline rods, with properties comparable to those manufactured using the more demanding free standing zone melting (FSZM) technique. Rods of Co75.8Fe24.2 and Co63.7Fe36.3 have been fabricated using the Laser engineered net shaping (LENSTM) system to evaluate the performance of additively manufactured magnetic and magnetostrictive materials. The 76% Co sample showed an average magnetostriction (λ) of 86 ppm at a stress of 124 MPa; in contrast, the 64% Co sample showed only 27 ppm at the same stress. For direct comparison, a Co67Fe33 single crystal disk, also measured as part of this study, exhibited a magnetostriction value of 131 and 91 microstrain in the [100] and [111] directions, respectively, with a calculated polycrystalline value (λs) of 107 microstrain. Electron back scattered diffraction (EBSD) has been used to qualitatively link the performance with crystallographic orientation and phase information, showing only the BCC phase in the 76% Co sample, but three different phases (BCC, FCC, and HCP) in the 64% Co sample.

Influences of granular constraints and surface effects on the heterogeneity of elastic, superelastic, and plastic responses of polycrystalline shape memory alloys

DOE PAGES

Paranjape, Harshad M.; Paul, Partha P.; Sharma, Hemant; ...

2017-02-16

Deformation heterogeneities at the microstructural length-scale developed in polycrystalline shape memory alloys (SMAs) during superelastic loading are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high energy diffraction microscopy (ff-HEDM) technique, was used to non-destructively measure the grain-averaged statistics of position, crystal orientation, elastic strain tensor, and volume for hundreds of austenite grains in a superelastically loaded nickel-titanium (NiTi) SMA. These experimental data were also used to create a synthetic microstructure within a finite element model. The development of intragranular stresses were then simulated during tensile loading of the model using anisotropic elasticity. Driving forcesmore » for phase transformation and slip were calculated from these stresses. The grain-average responses of individual austenite crystals examined before and after multiple stress-induced transformation events showed that grains in the specimen interior carry more axial stress than the surface grains as the superelastic response "shakes down". Examination of the heterogeneity within individual grains showed that regions near grain boundaries exhibit larger stress variation compared to the grain interiors. As a result, this intragranular heterogeneity is more strongly driven by the constraints of neighboring grains than the initial stress state and orientation of the individual grains.« less

Influences of granular constraints and surface effects on the heterogeneity of elastic, superelastic, and plastic responses of polycrystalline shape memory alloys

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

Paranjape, Harshad M.; Paul, Partha P.; Sharma, Hemant

Deformation heterogeneities at the microstructural length-scale developed in polycrystalline shape memory alloys (SMAs) during superelastic loading are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high energy diffraction microscopy (ff-HEDM) technique, was used to non-destructively measure the grain-averaged statistics of position, crystal orientation, elastic strain tensor, and volume for hundreds of austenite grains in a superelastically loaded nickel-titanium (NiTi) SMA. These experimental data were also used to create a synthetic microstructure within a finite element model. The development of intragranular stresses were then simulated during tensile loading of the model using anisotropic elasticity. Driving forcesmore » for phase transformation and slip were calculated from these stresses. The grain-average responses of individual austenite crystals examined before and after multiple stress-induced transformation events showed that grains in the specimen interior carry more axial stress than the surface grains as the superelastic response "shakes down". Examination of the heterogeneity within individual grains showed that regions near grain boundaries exhibit larger stress variation compared to the grain interiors. As a result, this intragranular heterogeneity is more strongly driven by the constraints of neighboring grains than the initial stress state and orientation of the individual grains.« less

Strain Amount Dependent Grain Size and Orientation Developments during Hot Compression of a Polycrystalline Nickel Based Superalloy

PubMed Central

He, Guoai; Tan, Liming; Liu, Feng; Huang, Lan; Huang, Zaiwang; Jiang, Liang

2017-01-01

Controlling grain size in polycrystalline nickel base superalloy is vital for obtaining required mechanical properties. Typically, a uniform and fine grain size is required throughout forging process to realize the superplastic deformation. Strain amount occupied a dominant position in manipulating the dynamic recrystallization (DRX) process and regulating the grain size of the alloy during hot forging. In this article, the high-throughput double cone specimen was introduced to yield wide-range strain in a single sample. Continuous variations of effective strain ranging from 0.23 to 1.65 across the whole sample were achieved after reaching a height reduction of 70%. Grain size is measured to be decreased from the edge to the center of specimen with increase of effective strain. Small misorientation tended to generate near the grain boundaries, which was manifested as piled-up dislocation in micromechanics. After the dislocation density reached a critical value, DRX progress would be initiated at higher deformation region, leading to the refinement of grain size. During this process, the transformations from low angle grain boundaries (LAGBs) to high angle grain boundaries (HAGBs) and from subgrains to DRX grains are found to occur. After the accomplishment of DRX progress, the neonatal grains are presented as having similar orientation inside the grain boundary. PMID:28772514

Magnetostrictive performance of additively manufactured CoFe rods using the LENS (TM) system

DOE PAGES

Jones, Nicholas J.; Yoo, Jin-Hyeong; Ott, Ryan T.; ...

2018-05-01

Magnetostrictive materials exhibit a strain in the presence of a variable magnetic field. While they normally require large, highly oriented crystallographic grains for high strain values, metal additive manufacturing (3D printing) may be able to produce highly textured polycrystalline rods, with properties comparable to those manufactured using the more demanding free standing zone melting (FSZM) technique. Rods of Co 75.8Fe 24.2 and Co 63.7Fe 36.3 have been fabricated using the Laser engineered net shaping (LENS TM) system to evaluate the performance of additively manufactured magnetic and magnetostrictive materials. The 76% Co sample showed an average magnetostriction (λ) of 86 ppmmore » at a stress of 124 MPa; in contrast, the 64% Co sample showed only 27 ppm at the same stress. For direct comparison, a Co 67Fe 33 single crystal disk, also measured as part of this study, exhibited a magnetostriction value of 131 and 91 microstrain in the [100] and [111] directions, respectively, with a calculated polycrystalline value (λ s) of 107 microstrain. Electron back scattered diffraction (EBSD) has been used to qualitatively link the performance with crystallographic orientation and phase information, showing only the BCC phase in the 76% Co sample, but three different phases (BCC, FCC, and HCP) in the 64% Co sample.« less

High repetition pump-and-probe photoemission spectroscopy based on a compact fiber laser system.

PubMed

Ishida, Y; Otsu, T; Ozawa, A; Yaji, K; Tani, S; Shin, S; Kobayashi, Y

2016-12-01

The paper describes a time-resolved photoemission (TRPES) apparatus equipped with a Yb-doped fiber laser system delivering 1.2-eV pump and 5.9-eV probe pulses at the repetition rate of 95 MHz. Time and energy resolutions are 11.3 meV and ∼310 fs, respectively, the latter is estimated by performing TRPES on a highly oriented pyrolytic graphite (HOPG). The high repetition rate is suited for achieving high signal-to-noise ratio in TRPES spectra, thereby facilitating investigations of ultrafast electronic dynamics in the low pump fluence (p) region. TRPES of polycrystalline bismuth (Bi) at p as low as 30 nJ/mm 2 is demonstrated. The laser source is compact and is docked to an existing TRPES apparatus based on a 250-kHz Ti:sapphire laser system. The 95-MHz system is less prone to space-charge broadening effects compared to the 250-kHz system, which we explicitly show in a systematic probe-power dependency of the Fermi cutoff of polycrystalline gold. We also describe that the TRPES response of an oriented Bi(111)/HOPG sample is useful for fine-tuning the spatial overlap of the pump and probe beams even when p is as low as 30 nJ/mm 2 .

Neutron transmission measurements of poly and pyrolytic graphite crystals

NASA Astrophysics Data System (ADS)

Adib, M.; Abbas, Y.; Abdel-Kawy, A.; Ashry, A.; Kilany, M.; Kenawy, M. A.

The total neutron cross-section measurements of polycrystalline graphite have been carried out in a neutron wavelength from 0.04 to 0.78 nm. This work also presents the neutron transmission measurements of pyrolytic graphite (PG) crystal in a neutron wavelength band from 0.03 to 0.50 nm, at different orientations of the PG crystal with regard to the beam direction. The measurements were performed using three time-of-flight (TOF) spectrometers installed in front of three of the ET-RR-1 reactor horizontal channels. The average value of the coherent scattering amplitude for polycrystalline graphite was calculated and found to be bcoh = (6.61 ± 0.07) fm. The behaviour of neutron transmission through the PG crystal, while oriented at different angles with regard to the beam direction, shows dips at neutron wavelengths corresponding to the reflections from (hkl) planes of hexagonal graphite structure. The positions of the observed dips are found to be in good agreement with the calculated ones. It was also found that a 40 mm thick PG crystal is quite enough to reduce the second-order contamination of the neutron beam from 2.81 to 0.04, assuming that the incident neutrons have a Maxwell distribution with neutron gas temperature 330 K.

Nanosheet controlled epitaxial growth of PbZr0.52Ti0.48O3 thin films on glass substrates

NASA Astrophysics Data System (ADS)

Bayraktar, M.; Chopra, A.; Bijkerk, F.; Rijnders, G.

2014-09-01

Integration of PbZr0.52Ti0.48O3 (PZT) films on glass substrates is of high importance for device applications. However, to make use of the superior ferro- and piezoelectric properties of PZT, well-oriented crystalline or epitaxial growth with control of the crystal orientation is a prerequisite. In this article, we report on epitaxial growth of PZT films with (100)- and (110)-orientation achieved by utilizing Ca2Nb3O10 (CNO) and Ti0.87O2 (TO) nanosheets as crystalline buffer layers. Fatigue measurements demonstrated stable ferroelectric properties of these films up to 5 × 109 cycles. (100)-oriented PZT films on CNO nanosheets show a large remnant polarization of 21 μC/cm2 that is the highest remnant polarization value compared to (110)-oriented and polycrystalline films reported in this work. A piezoelectric response of 98 pm/V is observed for (100)-oriented PZT film which is higher than the values reported in the literature on Si substrates.

The high temperature creep behavior of oxides and oxide fibers

NASA Technical Reports Server (NTRS)

Jones, Linda E.; Tressler, Richard E.

1991-01-01

A thorough review of the literature was conducted on the high-temperature creep behavior of single and polycrystalline oxides which potentially could serve as fiber reinforcements in ceramics or metal matrix applications. Sapphire when oriented with the basal plane perpendicular to the fiber axis (c-axis oriented) is highly creep resistant at temperatures in excess of 1600 C and applied loads of 100 MPa and higher. Pyramidal slip is preferentially activated in sapphire under these conditions and steady-state creep rates in the range of 10(exp -7) to 10 (exp -8)/s were reported. Data on the creep resistance of polycrystalline beryllia suggest that C-axiz oriented single crystal beryllia may be a viable candidate as a fiber reinforcement material; however, the issure of fabricability and moisture sensitivity must be addressed for this material. Yttrium aluminum garnet (YAG) also appears to be a fiber candidate material having a high resistance to creep which is due to it's complex crystal structure and high Peierl resistance. The high creep resistance of garnet suggests that there may be other complex ternary oxides such as single crystal mullite which may also be candidate materials for fiber reinforcements. Finally, CVD and single crystal SiC, although not oxides, do possess a high resistance to creep in the temperature range between 1550 and 1850 C and under stresses of 110 to 220 MPa. From a review of the literature, it appears that for high creep resistant applications sapphire, silicon carbide, yttrium aluminum garnet, mullite, and beryllia are desirable candidate materials which require further investigation.

Microstructure and crystallographic preferred orientation of polycrystalline microgarnet aggregates developed during progressive creep, recovery, and grain boundary sliding

USGS Publications Warehouse

Massey, M.A.; Prior, D.J.; Moecher, D.P.

2011-01-01

Optical microscopy, electron probe microanalysis, and electron backscatter diffraction methods have been used to examine a broad range of garnet microstructures within a high strain zone that marks the western margin of a major transpression zone in the southern New England Appalachians. Garnet accommodated variable states of finite strain, expressed as low strain porphyroclasts (Type 1), high strain polycrystalline aggregates (Type 2), and transitional morphologies (Type 3) that range between these end members. Type 1 behaved as rigid porphyroclasts and is characterized by four concentric Ca growth zones. Type 2 help define foliation and lineation, are characterized by three Ca zones, and possess a consistent bulk crystallographic preferred orientation of (100) symmetrical to the tectonic fabric. Type 3 show variable degrees of porphyroclast associated with aggregate, where porphyroclasts display complex compositional zoning that corresponds to lattice distortion, low-angle boundaries, and subgrains, and aggregate CPO mimics porphyroclast orientation. All aggregates accommodated a significant proportion of greenschist facies deformation through grain boundary sliding, grain rotation and impingement, and pressure solution, which lead to a cohesive behavior and overall strain hardening of the aggregates. The characteristic CPO could not have been developed in this manner, and was the result of an older phase of partitioned amphibolite facies dislocation creep, recovery including chemical segregation, and recrystallization of porphyroclasts. This study demonstrates the significance of strain accommodation within garnet and its affect on composition under a range of PT conditions, and emphasizes the importance of utilizing EBSD methods with studies that rely upon a sound understanding of garnet. ?? 2010 Elsevier Ltd.

Theoretical model of hardness anisotropy in brittle materials

NASA Astrophysics Data System (ADS)

Gao, Faming

2012-07-01

Anisotropy is prominent in the hardness test of single crystals. However, the anisotropic nature is not demonstrated quantitatively in previous hardness model. In this work, it is found that the electron transition energy per unit volume in the glide region and the orientation of glide region play critical roles in determining hardness value and hardness anisotropy for a single crystal material. We express the mathematical definition of hardness anisotropy through simple algebraic relations. The calculated Knoop hardnesses of the single crystals are in good agreement with observations. This theory, extended to polycrystalline materials by including hall-petch effect and quantum size effect, predicts that the polycrystalline diamond with low angle grain boundaries can be harder than single-crystal bulk diamond. Combining first-principles technique and the formula of hardness anisotropy the hardness of monoclinic M-carbon, orthorhombic W-carbon, Z-carbon, and T-carbon are predicted.

In-situ Indentation and Correlated Precession Electron Diffraction Analysis of a Polycrystalline Cu Thin Film

NASA Astrophysics Data System (ADS)

Guo, Qianying; Thompson, Gregory B.

2018-04-01

In-situ TEM nanoindentation of a polycrystalline Cu film was cross-correlated with precession electron diffraction (PED) to quantify the microstructural evolution. The use of PED is shown to clearly reveal features, such as grain size, that are easily masked by diffraction contrast created by the deformation. Using PED, the accompanying grain refinement and change in texture as well as the preservation of specific grain boundary structures, including a ∑3 boundary, under the indent impression were quantified. The nucleation of dislocations, evident in low-angle grain boundary formations, was also observed under the indent. PED quantification of texture gradients created by the indentation process linked well to bend contours observed in the bright-field images. Finally, PED enabled generating a local orientation spread map that gave an approximate estimation of the spatial distribution of strain created by the indentation impression.

Influence of crystal quality on the excitation and propagation of surface and bulk acoustic waves in polycrystalline AlN films.

PubMed

Clement, Marta; Olivares, Jimena; Capilla, Jose; Sangrador, Jesús; Iborra, Enrique

2012-01-01

We investigate the excitation and propagation of acoustic waves in polycrystalline aluminum nitride films along the directions parallel and normal to the c-axis. Longitudinal and transverse propagations are assessed through the frequency response of surface acoustic wave and bulk acoustic wave devices fabricated on films of different crystal qualities. The crystalline properties significantly affect the electromechanical coupling factors and acoustic properties of the piezoelectric layers. The presence of misoriented grains produces an overall decrease of the piezoelectric activity, degrading more severely the excitation and propagation of waves traveling transversally to the c-axis. It is suggested that the presence of such crystalline defects in c-axis-oriented films reduces the mechanical coherence between grains and hinders the transverse deformation of the film when the electric field is applied parallel to the surface. © 2012 IEEE

Effects of chemical states of carbon on deuterium retention in carbon-containing materials

NASA Astrophysics Data System (ADS)

Oyaidzu, Makoto; Kimura, Hiromi; Nakahata, Toshihiko; Nishikawa, Yusuke; Tokitani, Masayuki; Oya, Yasuhisa; Iwakiri, Hirotomo; Yoshida, Naoaki; Okuno, Kenji

2007-08-01

Deuterium retention behavior in highly oriented pyrolytic graphite (HOPG), poly-crystalline diamond, poly-crystalline SiC, sintered WC, and converted B 4C were investigated to reveal tritium behavior in re-deposition and co-deposition layers. Such layers would contain carbon, when the first wall and/or divertor were made of graphite or carbon-containing materials. Furthermore, the employment of other materials such as tungsten, and first wall conditioning such as boronization would complicate the layers. No different deuterium trapping sites due to carbon from those in HOPG were found in all the samples, where two deuterium trapping processes were observed: hot atom chemical trapping of energetic deuterium by a dangling bond of carbon and thermochemical trapping of thermalized deuterium in a constituent atom vacancy surrounded by carbons. Additionally, the latter reaction could be easily counteracted by or competed with the other deuterium trapping reactions by constituent atoms.

Correlation between the local stress and the grain misorientation in the polycrystalline Al2O3 measured by near-field luminescence spectroscopy

NASA Astrophysics Data System (ADS)

Tomimatsu, Toru; Takigawa, Ryo

2018-06-01

Owing to its high spatial resolution, near-field spectroscopy is a useful method for sensing the stress in a narrow region of submicron order. Here, on the basis of the highly resolved images obtained by near-field luminescence spectroscopy, we propose a statistical method of analyzing grain anisotropy-induced stress in polycrystalline Al2O3. We focus on two characteristics of a spectra: the intensity ratio and peak shift of luminescence of two lines (R1 and R2) from Al2O3 to discuss crystal orientation and stress, respectively. By incorporating the concept of the crystal misorientation parameter using intensity ratio, an apparent correlation between the magnitude of stress and the misorientation is found. This correlation analysis provides an important insight for the investigation of local thermal stress in Al2O3.

Two-dimensional freezing criteria for crystallizing colloidal monolayers

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

Wang Ziren; Han Yilong; Alsayed, Ahmed M.

Video microscopy was employed to explore crystallization of colloidal monolayers composed of diameter-tunable microgel spheres. Two-dimensional (2D) colloidal liquids were frozen homogenously into polycrystalline solids, and four 2D criteria for freezing were experimentally tested in thermal systems for the first time: the Hansen-Verlet freezing rule, the Loewen-Palberg-Simon dynamical freezing criterion, and two other rules based, respectively, on the split shoulder of the radial distribution function and on the distribution of the shape factor of Voronoi polygons. Importantly, these freezing criteria, usually applied in the context of single crystals, were demonstrated to apply to the formation of polycrystalline solids. At themore » freezing point, we also observed a peak in the fluctuations of the orientational order parameter and a percolation transition associated with caged particles. Speculation about these percolated clusters of caged particles casts light on solidification mechanisms and dynamic heterogeneity in freezing.« less

Anisotropic rheology of a polycrystalline aggregate and convection in planetary mantles

NASA Astrophysics Data System (ADS)

Pouilloux, L. S.; Labrosse, S.; Kaminski, E.

2011-12-01

Observations of seismic anisotropy in the Earth mantle is often related to the crystal preferred orientation of polycrystalline aggregates. In this case, the physical properties depends on the direction and require the use of tensors to be fully described. In particular, the viscosity must be defined as a fourth order tensor whereas the thermal conductivity is a 2nd order tensor. However, the dynamical implications of such physical properties have received little attention until now. In this work, we present the mathematical formulation for an anisotropic medium and the relationship with dislocation creep deformation. We explore extensively the problem of the onset of Rayleigh-Bénard convection with such anisotropic properties. We finally presents some numerical results on the time-dependent problem using an orthotropic law for an ice polycrystal. Geophysical implications of this work related to the dynamics of planetary mantles are discussed, especially the potential of anisotropic rheology to localize deformation.

Shock and Microstructural Characterization of the α-ω Phase Transition in Titanium Crystals

NASA Astrophysics Data System (ADS)

Morrow, Benjamin M.; Rigg, Paulo A.; Jones, David R.; Addessio, Francis L.; Trujillo, Carl P.; Saavedra, Ramon A.; Martinez, Daniel T.; Cerreta, Ellen K.

2017-12-01

A multicrystal comprised of a small number of large crystals of high-purity titanium and a [0001] oriented high-purity single crystal titanium sample were shock loaded using gas gun plate impact experiments. Tests were performed at stresses above the α {-}ω phase transition stress (for high-purity polycrystalline specimens) to observe the behavior of oriented crystals under similar conditions. Post-mortem characterization of the shocked microstructure was conducted on the single crystal sample to measure textures, and quantify phases and twinning. The apparent activation of plastic and transformation mechanisms was dependent upon crystal orientation. Specifically, the [0001] crystal showed a higher Hugoniot elastic limit than the [10\\bar{1}0] or [3\\bar{1}\\bar{4}4] orientations. The slope of velocity as a function of time was lower in the [0001] orientation than the other orientations during plastic deformation, indicating sluggish transformation kinetics for the α to ω phase transition for the [0001] oriented crystal. Microtexture measurements of a recovered [0001] oriented single crystal revealed the presence of retained ω phase after unloading, with orientations of the constituent phase fractions indicative of the forward α → ω transition, rather than the reverse ω → α transition, suggesting that the material never achieved a state of 100% ω phase.

Three-dimensional full-field X-ray orientation microscopy

PubMed Central

Viganò, Nicola; Tanguy, Alexandre; Hallais, Simon; Dimanov, Alexandre; Bornert, Michel; Batenburg, Kees Joost; Ludwig, Wolfgang

2016-01-01

A previously introduced mathematical framework for full-field X-ray orientation microscopy is for the first time applied to experimental near-field diffraction data acquired from a polycrystalline sample. Grain by grain tomographic reconstructions using convex optimization and prior knowledge are carried out in a six-dimensional representation of position-orientation space, used for modelling the inverse problem of X-ray orientation imaging. From the 6D reconstruction output we derive 3D orientation maps, which are then assembled into a common sample volume. The obtained 3D orientation map is compared to an EBSD surface map and local misorientations, as well as remaining discrepancies in grain boundary positions are quantified. The new approach replaces the single orientation reconstruction scheme behind X-ray diffraction contrast tomography and extends the applicability of this diffraction imaging technique to material micro-structures exhibiting sub-grains and/or intra-granular orientation spreads of up to a few degrees. As demonstrated on textured sub-regions of the sample, the new framework can be extended to operate on experimental raw data, thereby bypassing the concept of orientation indexation based on diffraction spot peak positions. This new method enables fast, three-dimensional characterization with isotropic spatial resolution, suitable for time-lapse observations of grain microstructures evolving as a function of applied strain or temperature. PMID:26868303

Measurement of elastic constants of monoclinic nickel-titanium and validation of first principles calculations

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

Stebner, A. P.; Brown, D. W.; Brinson, L. C.

2013-05-27

Polycrystalline, monoclinic nickel-titanium specimens were subjected to tensile and compressive deformations while neutron diffraction spectra were recorded in situ. Using these data, orientation-specific and macroscopic Young's moduli are determined from analysis of linear-elastic deformation exhibited by 13 unique orientations of monoclinic lattices and their relationships to each macroscopic stress and strain. Five of 13 elastic compliance constants are also identified: s{sub 11} = 1.15, s{sub 15} = -1.10, s{sub 22} = 1.34, s{sub 33} = 1.06, s{sub 35} = -1.54, all Multiplication-Sign 10{sup -2} GPa{sup -1}. Through these results, recent atomistic calculations of monoclinic nickel-titanium elastic constants are validated.

Shock Hugoniot of single crystal copper

NASA Astrophysics Data System (ADS)

Chau, R.; Stölken, J.; Asoka-Kumar, P.; Kumar, M.; Holmes, N. C.

2010-01-01

The shock Hugoniot of single crystal copper is reported for stresses below 66 GPa. Symmetric impact experiments were used to measure the Hugoniots of three different crystal orientations of copper, [100], [110], and [111]. The photonic doppler velocimetry (PDV) diagnostic was adapted into a very high precision time of arrival detector for these experiments. The measured Hugoniots along all three crystal directions were nearly identical to the experimental Hugoniot for polycrystalline Cu. The predicted orientation dependence of the Hugoniot from molecular dynamics calculations was not observed. At the lowest stresses, the sound speed in Cu was extracted from the PDV data. The measured sound speeds are in agreement with values calculated from the elastic constants for Cu.

Switchable vanadium oxide films by a sol-gel process

NASA Astrophysics Data System (ADS)

Partlow, D. P.; Gurkovich, S. R.; Radford, K. C.; Denes, L. J.

1991-07-01

Thin polycrystalline films of VO2 and V2O3 were deposited on a variety of substrates using a sol-gel process. The orientation, microstructure, optical constants, and optical and electrical switching behavior are presented. These films exhibited sharp optical switching behavior even on an amorphous substrate such as fused silica. The method yields reproducible results and is amenable to the coating of large substrates and curved surfaces such as mirrors and lenses.

Magnetic Surfaces, Thin Films, and Multilayers

DTIC Science & Technology

1992-01-01

investigations %as the cleaved ((00)I) face of highly oriented pyrolytic graphite ( HOPG ). This surface is inert in air and is easily imaged with the STM[83-86...Parkin IBM Almaden Research Center, San Jose, California, U.S.A. Herbert Hopster University of California -Irvine, Irvine, California, U.S.A. Jean...magnetic fields (typically 10 to 100 kOe). For polycrystalline samples and at normal temperatures more modest increases, typically of a factor of 2 to 10

Intergranular degradation assessment via random grain boundary network analysis

DOEpatents

Kumar, Mukul; Schwartz, Adam J.; King, Wayne E.

2002-01-01

A method is disclosed for determining the resistance of polycrystalline materials to intergranular degradation or failure (IGDF), by analyzing the random grain boundary network connectivity (RGBNC) microstructure. Analysis of the disruption of the RGBNC microstructure may be assess the effectiveness of materials processing in increasing IGDF resistance. Comparison of the RGBNC microstructures of materials exposed to extreme operating conditions to unexposed materials may be used to diagnose and predict possible onset of material failure due to

Twin-mediated crystal growth: an enigma resolved

PubMed Central

Shahani, Ashwin J.; Gulsoy, E. Begum; Poulsen, Stefan O.; Xiao, Xianghui; Voorhees, Peter W.

2016-01-01

During crystal growth, faceted interfaces may be perturbed by defects, leading to a rich variety of polycrystalline growth forms. One such defect is the coherent Σ3 {111} twin boundary, which is widely known to catalyze crystal growth. These defects have a profound effect on the properties of many materials: for example, electron-hole recombination rates strongly depend on the character of the twin boundaries in polycrystalline Si photovoltaic cells. However, the morphology of the twinned interface during growth has long been a mystery due to the lack of four-dimensional (i.e., space and time resolved) experiments. Many controversial mechanisms have been proposed for this process, most of which lack experimental verification. Here, we probe the real-time interfacial dynamics of polycrystalline Si particles growing from an Al-Si-Cu liquid via synchrotron-based X-ray tomography. Our novel analysis of the time evolution of the interfacial normals allows us to quantify unambiguously the habit plane and grain boundary orientations during growth. This, when combined with direct measurements of the interfacial morphology provide the first confirmation of twin-mediated growth, proposed over 50 years ago. Using the insights provided by these experiments, we have developed a unified picture of the phenomena responsible for the dynamics of faceted Si growth. PMID:27346073

Twin-mediated crystal growth: an enigma resolved

NASA Astrophysics Data System (ADS)

Shahani, Ashwin J.; Gulsoy, E. Begum; Poulsen, Stefan O.; Xiao, Xianghui; Voorhees, Peter W.

2016-06-01

During crystal growth, faceted interfaces may be perturbed by defects, leading to a rich variety of polycrystalline growth forms. One such defect is the coherent Σ3 {111} twin boundary, which is widely known to catalyze crystal growth. These defects have a profound effect on the properties of many materials: for example, electron-hole recombination rates strongly depend on the character of the twin boundaries in polycrystalline Si photovoltaic cells. However, the morphology of the twinned interface during growth has long been a mystery due to the lack of four-dimensional (i.e., space and time resolved) experiments. Many controversial mechanisms have been proposed for this process, most of which lack experimental verification. Here, we probe the real-time interfacial dynamics of polycrystalline Si particles growing from an Al-Si-Cu liquid via synchrotron-based X-ray tomography. Our novel analysis of the time evolution of the interfacial normals allows us to quantify unambiguously the habit plane and grain boundary orientations during growth. This, when combined with direct measurements of the interfacial morphology provide the first confirmation of twin-mediated growth, proposed over 50 years ago. Using the insights provided by these experiments, we have developed a unified picture of the phenomena responsible for the dynamics of faceted Si growth.

Preferential orientation of metal oxide superconducting materials by mechanical means

DOEpatents

Capone, Donald W.

1990-01-01

A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0<.times.<0.5) is capable of accommodating very large current densities. By aligning the two-dimensional Cu--O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the metal oxide material to accommodate high current densities. The orthorhombic crystalline particles have a tendency to lie down on one of the longer sides, i.e., on the a- or b-direction. Aligning the crystals in this orientation is accomplished by mechanical working of the material such as by extrusion, tape casting or slip casting, provided a single crystal powder is used as a starting material, to provide a highly oriented, e.g., approximately 90% of the crystal particles have a common orientation, superconducting matrix capable of supporting large current densities.

Preferential orientation of metal oxide superconducting materials by mechanical means

DOEpatents

Capone, D.W.

1990-11-27

A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) is capable of accommodating very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the metal oxide material to accommodate high current densities. The orthorhombic crystalline particles have a tendency to lie down on one of the longer sides, i.e., on the a- or b-direction. Aligning the crystals in this orientation is accomplished by mechanical working of the material such as by extrusion, tape casting or slip casting, provided a single crystal powder is used as a starting material, to provide a highly oriented, e.g., approximately 90% of the crystal particles have a common orientation, superconducting matrix capable of supporting large current densities. 3 figs.

Using galvanostatic electroforming of Bi 1–xSb x nanowires to control composition, crystallinity, and orientation

DOE PAGES

Limmer, Steven J.; Medlin, Douglas L.; Siegal, Michael P.; ...

2014-12-03

When using galvanostatic pulse deposition, we studied the factors influencing the quality of electroformed Bi 1–xSb x nanowires with respect to composition, crystallinity, and preferred orientation for high thermoelectric performance. Two nonaqueous baths with different Sb salts were investigated. The Sb salts used played a major role in both crystalline quality and preferred orientations. Nanowire arrays electroformed using an SbI 3 -based chemistry were polycrystalline with no preferred orientation, whereas arrays electroformed from an SbCl 3-based chemistry were strongly crystallographically textured with the desired trigonal orientation for optimal thermoelectric performance. From the SbCl 3 bath, the electroformed nanowire arraysmore » were optimized to have nanocompositional uniformity, with a nearly constant composition along the nanowire length. Moreover, nanowires harvested from the center of the array had an average composition of Bi 0.75 Sb 0.25. However, the nanowire compositions were slightly enriched in Sb in a small region near the edges of the array, with the composition approaching Bi 0.70Sb 0.30.« less

Dependence of critical current density on microstructure and processing of high-T(c) superconductors

NASA Astrophysics Data System (ADS)

Goyal, A.; Specht, E. D.; Wang, Z. L.; Kroeger, D. M.; Sutliff, J. A.; Tkaczyk, J. E.; Deluca, J. A.; Masur, L.; Riley, G. N., Jr.

Microstructural origins for reduced weak-link behavior in high-J(sup c) melt-processed YBCO, spray pyrolyzed thick films of Tl-1223, metallic precursor Y-124 polycrystalline powder-in-tube (PIT) wires and PIT Bi-2212/2223 are discussed. Since the materials studied are the highest J(sub c), polycrystalline, high-T(sub c) superconductors fabricated worldwide, the results provide important guidelines for further improvements in superconducting properties, thereby enabling practical applications of these materials. It is found that strongly linked current flow within domains of melt-processed 123 occurs effectively through a single crystal path. In c-axis oriented, polycrystalline Tl-1223 thick films, local in-plane texture has been found to play a crucial role in the reduced weak-link behavior. Formation of 'colonies' of grains with a common c-axis and modest in-plane misorientation was observed. Furthermore, a colony boundary in general has a varying misorientation along the boundary. Large regions comprised primarily of low angle boundaries were observed. Percolative transport through a network of such small angle boundaries appears to provide the non-weak-linked current path. Although powder-in-tube BSCCO 2212 and 2223 also appear to have a 'colony' microstructure, there are some important differences. Colonies in BSCCO consist of stacks of grains with similar c-axis orientation in contrast to colonies in Tl-1223 films where few grains are stacked on top of one another. In the case of Y-124 wires, weak macroscopic in-plane texture is found. Additional measurements are underway to determine if a sharper, local in-plane texture also exists. It is found that in three of the four types of superconductors studied, reduced weak-link behavior can be ascribed to some degree of biaxial alignment between grains, either on a 'local' or a 'global' scale.

Determining the sputter yields of molybdenum in low-index crystal planes via electron backscattered diffraction, focused ion beam and atomic force microscope

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

Huang, H.S., E-mail: 160184@mail.csc.com.tw; Chiu, C.H.; Hong, I.T.

2013-09-15

Previous literature has used several monocrystalline sputtering targets with various crystalline planes, respectively, to investigate the variations of the sputter yield of materials in different crystalline orientations. This study presents a method to measure the sputtered yields of Mo for the three low-index planes (100), (110), and (111), through using an easily made polycrystalline target. The procedure was firstly to use electron backscattered diffraction to identify the grain positions of the three crystalline planes, and then use a focused ion beam to perform the micro-milling of each identified grain, and finally the sputter yields were calculated from the removed volumes,more » which were measured by atomic force microscope. Experimental results showed that the sputter yield of the primary orientations for Mo varied as Y{sub (110)} > Y{sub (100)} > Y{sub (111)}, coincidental with the ranking of their planar atomic packing densities. The concept of transparency of ion in the crystalline substance was applied to elucidate these results. In addition, the result of (110) orientation exhibiting higher sputter yield is helpful for us to develop a Mo target with a higher deposition rate for use in industry. By changing the deformation process from straight rolling to cross rolling, the (110) texture intensity of the Mo target was significantly improved, and thus enhanced the deposition rate. - Highlights: • We used EBSD, FIB and AFM to measure the sputter yields of Mo in low-index planes. • The sputter yield of the primary orientations for Mo varied as Y{sub (110)} > Y{sub (100)} > Y{sub (111)}. • The transparency of ion was used to elucidate the differences in the sputter yield. • We improved the sputter rate of polycrystalline Mo target by adjusting its texture.« less

Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: I, theoretical foundations.

PubMed

Pezzotti, Giuseppe; Zhu, Wenliang; Boffelli, Marco; Adachi, Tetsuya; Ichioka, Hiroaki; Yamamoto, Toshiro; Marunaka, Yoshinori; Kanamura, Narisato

2015-05-01

The Raman spectroscopic method has quantitatively been applied to the analysis of local crystallographic orientation in both single-crystal hydroxyapatite and human teeth. Raman selection rules for all the vibrational modes of the hexagonal structure were expanded into explicit functions of Euler angles in space and six Raman tensor elements (RTE). A theoretical treatment has also been put forward according to the orientation distribution function (ODF) formalism, which allows one to resolve the statistical orientation patterns of the nm-sized hydroxyapatite crystallite comprised in the Raman microprobe. Close-form solutions could be obtained for the Euler angles and their statistical distributions resolved with respect to the direction of the average texture axis. Polarized Raman spectra from single-crystalline hydroxyapatite and textured polycrystalline (teeth enamel) samples were compared, and a validation of the proposed Raman method could be obtained through confirming the agreement between RTE values obtained from different samples.

Variation of relative intensities between surface and bulk plasmon losses due to crystal orientations for aluminium in low energy electron reflection loss spectroscopy

NASA Astrophysics Data System (ADS)

Ichinokawa, T.; Le Gressus, C.; Mogami, A.; Pellerin, F.; Massignon, D.

The contrast change of secondary electron images due to the crystal orientations is observed by the ultra high vacuum scanning electron microscope (UHV-SEM) for crystal grains of clean surface of polycrystalline Al in the primary energy Ep of 200 eV to 5 KeV. The low energy electron loss spectra are measured by the cylindrical mirror analyzer. The relative intensity ratio between surface and bulk plasmon loss spectra was dependent on the crystal orientations. The SEM images taken by the surface and bulk plasmon signals at Ep = 230 eV show the inverse contrast depending on the grains. The inversion of the relative intensities between the surface and bulk plasmon losses is explained qualitatively by taking into account of variation of the penetration depth of the incident beam caused by the electron channeling.

Variation of relative intensities between surface and bulk plasmon losses due to crystal orientations for aluminium in low energy electron reflection loss spectroscopy

NASA Astrophysics Data System (ADS)

Ichinokawa, T.; Le Gressus, C.; Mogami, A.; Pellerin, F.; Massignon, D.

1981-10-01

The contrast change of secondary electron images due to the crystal orientations is observed by the ultra high vacuum scanning electron microscope (UHV-SEM) for crystal grains of clean surface of polycrystalline Al in the primary energy Ep of 200 eV to 5 keV. The low energy electron loss spectra are measured by the cylindrical mirror analyzer. The relative intensity ratio between surface and bulk plasmon loss spectra was dependent on the crystal orientations. The SEM images taken by the surface and bulk plasmon signals at Ep = 230 eV show the inverse contrast depending on the grains. The inversion of the relative intensities between the surface and bulk plasmon losses is explained qualitatively by taking into account of variation of the penetration depth of the incident beam caused by the electron channeling.

The grinding tip of the sea urchin tooth exhibits exquisite control over calcite crystal orientation and Mg distribution

PubMed Central

Ma, Yurong; Aichmayer, Barbara; Paris, Oskar; Fratzl, Peter; Meibom, Anders; Metzler, Rebecca A.; Politi, Yael; Addadi, Lia; Gilbert, P. U. P. A.; Weiner, Steve

2009-01-01

The sea urchin tooth is a remarkable grinding tool. Even though the tooth is composed almost entirely of calcite, it is used to grind holes into a rocky substrate itself often composed of calcite. Here, we use 3 complementary high-resolution tools to probe aspects of the structure of the grinding tip: X-ray photoelectron emission spectromicroscopy (X-PEEM), X-ray microdiffraction, and NanoSIMS. We confirm that the needles and plates are aligned and show here that even the high Mg polycrystalline matrix constituents are aligned with the other 2 structural elements when imaged at 20-nm resolution. Furthermore, we show that the entire tooth is composed of 2 cooriented polycrystalline blocks that differ in their orientations by only a few degrees. A unique feature of the grinding tip is that the structural elements from each coaligned block interdigitate. This interdigitation may influence the fracture process by creating a corrugated grinding surface. We also show that the overall Mg content of the tooth structural elements increases toward the grinding tip. This probably contributes to the increasing hardness of the tooth from the periphery to the tip. Clearly the formation of the tooth, and the tooth tip in particular, is amazingly well controlled. The improved understanding of these structural features could lead to the design of better mechanical grinding and cutting tools. PMID:19332795

From Intermolecular Interactions to Texture in Polycrystalline Surfaces of 1,ω-alkanediols (ω = 10-13).

PubMed

Luis-Raya, Gilgamesh; Ramírez-Cardona, Màrius; Luna-Bárcenas, Gabriel; Hernández-Landaverde, Martín A; Jiménez-Nieto, Adair; García-Rivas, Jose Luis; España-Sánchez, Beatriz Liliana; Sanchez, Isaac C

2017-06-08

Differences on herringbone molecular arrangement in two forms of long-chain 1,ω-alkanediols (C n H 2 n +2 O₂ with n = 10, 11, 12, 13) are explained from the analysis of O-H···O hydrogen-bond sequences in infinite chains and the role of a C-H···O intramolecular hydrogen-bond in stabilization of a gauche defect, as well as the inter-grooving effectiveness on molecular packing. GIXD (Glancing Incidence X-ray Diffraction) experiments were conducted on polycrystalline monophasic samples. Diffracted intensities were treated with the multi-axial March-Dollase method to correlate energetic and geometrical features of molecular interactions with the crystalline morphology and textural pattern of samples. The monoclinic (P 2 ₁/ c , Z = 2) crystals of the even-numbered members ( n = 10, 12; DEDOL and DODOL, respectively) are diametrical prisms with combined form {104}/{-104}/{001} and present a two-fold platelet-like preferred orientation, whereas orthorhombic (P 2 ₁ 2 ₁ 2 ₁, Z = 4) odd-numbered members ( n = 11, 13; UNDOL and TRDOL, respectively) present a dominant needle-like orientation on direction [101] (fiber texture). We show that crystalline structures of medium complexity and their microstructures can be determined from rapid GIXD experiments from standard radiation, combined with molecular replacement procedure using crystal structures of compounds with higher chain lengths as reference data.

The grinding tip of the sea urchin tooth exhibits exquisite control over calcite crystal orientation and Mg distribution.

PubMed

Ma, Yurong; Aichmayer, Barbara; Paris, Oskar; Fratzl, Peter; Meibom, Anders; Metzler, Rebecca A; Politi, Yael; Addadi, Lia; Gilbert, P U P A; Weiner, Steve

2009-04-14

The sea urchin tooth is a remarkable grinding tool. Even though the tooth is composed almost entirely of calcite, it is used to grind holes into a rocky substrate itself often composed of calcite. Here, we use 3 complementary high-resolution tools to probe aspects of the structure of the grinding tip: X-ray photoelectron emission spectromicroscopy (X-PEEM), X-ray microdiffraction, and NanoSIMS. We confirm that the needles and plates are aligned and show here that even the high Mg polycrystalline matrix constituents are aligned with the other 2 structural elements when imaged at 20-nm resolution. Furthermore, we show that the entire tooth is composed of 2 cooriented polycrystalline blocks that differ in their orientations by only a few degrees. A unique feature of the grinding tip is that the structural elements from each coaligned block interdigitate. This interdigitation may influence the fracture process by creating a corrugated grinding surface. We also show that the overall Mg content of the tooth structural elements increases toward the grinding tip. This probably contributes to the increasing hardness of the tooth from the periphery to the tip. Clearly the formation of the tooth, and the tooth tip in particular, is amazingly well controlled. The improved understanding of these structural features could lead to the design of better mechanical grinding and cutting tools.

Experimental study of grain interactions on rolling texture development in face-centered cubic metals

NASA Astrophysics Data System (ADS)

Kumar Ray, Atish

There exists considerable debate in the texture community about whether grain interactions are a necessary factor to explain the development of deformation textures in polycrystalline metals. Computer simulations indicate that grain interactions play a significant role, while experimental evidence shows that the material type and starting orientation are more important in the development of texture and microstructure. A balanced review of the literature on face-centered cubic metals shows that the opposing viewpoints have developed due to the lack of any complete experimental study which considers both the intrinsic (material type and starting orientation) and extrinsic (grain interaction) factors. In this study, a novel method was developed to assemble ideally orientated crystalline aggregates in 99.99% aluminum (Al) or copper (Cu) to experimentally evaluate the effect of grain interactions on room temperature deformation texture. Ideal orientations relevant to face-centered cubic rolling textures, Cube {100} <001>, Goss {110} <001>, Brass {110} <11¯2> and Copper {112} <111¯> were paired in different combinations and deformed by plane strain compression to moderate strain levels of 1.0 to 1.5. Orientation dependent mechanical behavior was distinguishable from that of the neighbor-influenced behavior. In interacting crystals the constraint on the rolling direction shear strains (gammaXY , gammaXZ) was found to be most critical to show the effect of interactions via the evolution of local microstructure and microtexture. Interacting crystals with increasing deformations were observed to gradually rotate towards the S-component, {123} <634>. Apart from the average lattice reorientations, the interacting crystals also developed strong long-range orientation gradients inside the bulk of the crystal, which were identified as accumulating misorientations across the deformation boundaries. Based on a statistical procedure using quaternions, the orientation and interaction related heterogeneous deformations were characterized by three principal component vectors and their respective eigenvalues for both the orientation and misorientation distributions. For the case of a medium stacking fault energy metal like Cu, the texture and microstructure development depends wholly on the starting orientations. Microstructural instabilities in Cu are explained through a local slip clustering process, and the possible role of grain interactions on such instabilities is proposed. In contrast, the texture and microstructure development in a high stacking fault energy metal like Al is found to be dependent on the grain interactions. In general, orientation, grain interaction and material type were found to be key factors in the development of rolling textures in face-centered cubic metals and alloys. Moreso, in the texture development not any single parameter can be held responsible, rather, the interdependency of each of the three parameters must be considered. In this frame-work polycrystalline grains can be classified into four types according to their stability and susceptibility during deformation.

Numerical study of electrical transport in co-percolative metal nanowire-graphene thin-films

NASA Astrophysics Data System (ADS)

Gupta, Man Prakash; Kumar, Satish

2016-11-01

Nanowires-dispersed polycrystalline graphene has been recently explored as a transparent conducting material for applications such as solar cells, displays, and touch-screens. Metal nanowires and polycrystalline graphene play synergetic roles during the charge transport in the material by compensating for each other's limitations. In the present work, we develop and employ an extensive computational framework to study the essential characteristics of the charge transport not only on an aggregate basis but also on individual constituents' levels in these types of composite thin-films. The method allows the detailed visualization of the percolative current pathways in the material and provides the direct evidence of current crowding in the 1-D nanowires and 2-D polygraphene sheet. The framework is used to study the effects of several important governing parameters such as length, density and orientation of the nanowires, grain density in polygraphene, grain boundary resistance, and the contact resistance between nanowires and graphene. We also present and validate an effective medium theory based generalized analytical model for the composite. The analytical model is in agreement with the simulations, and it successfully predicts the overall conductance as a function of several parameters including the nanowire network density and orientation and graphene grain boundaries. Our findings suggest that the longer nanowires (compared to grain size) with low angle orientation (<40°) with respect to the main carrier transport direction provide significant advantages in enhancing the conductance of the polygraphene sheet. We also find that above a certain value of grain boundary resistance (>60 × intra-grain resistance), the overall conductance becomes nearly independent of grain boundary resistance due to nanowires. The developed model can be applied to study other emerging transparent conducting materials such as nanowires, nanotubes, polygraphene, graphene oxide, and their hybrid nanostructures.

Creation of high-pinning microstructures in post production YBCO coated conductors

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

Welp, Ulrich; Miller, Dean J.; Kwok, Wai-Kwong

A method comprising irradiating a polycrystalline rare earth metal-alkaline earth metal-transition metal-oxide superconductor layer with protons having an energy of 1 to 6 MeV. The irradiating process produces an irradiated layer that comprises randomly dispersed defects with an average diameter in the range of 1-10 nm.

Structure and ionic conductivity of well-aligned polycrystalline sodium titanogallate grown by reactive diffusion

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

Hasegawa, Ryo; Okabe, Momoko; Asaka, Toru

We prepared the b-axis-oriented polycrystalline Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} (NTGO) embedded in Ga{sub 2}O{sub 3}-doped Na{sub 2}Ti{sub 4}O{sub 9} matrix using the reactive diffusion technique. When the sandwich-type Ga{sub 2}TiO{sub 5}/NaGaO{sub 2}/Ga{sub 2}TiO{sub 5} diffusion couple was heated at 1323 K for 24 h, the NTGO polycrystal was readily formed in the presence of a liquid phase. The resulting polycrystalline material was characterized by X-ray diffractometry, electron microscopy and impedance spectroscopy. We mechanically processed the annealed diffusion couple and obtained the thin-plate electrolyte consisting mostly of the grain-aligned NTGO polycrystal. The ionic conductivity (σ) of the electrolyte along themore » common b-axis direction steadily increased from 1.3×10{sup −4} to 7.3×10{sup −3} S/cm as the temperature increased from 573 to 1073 K. There was a slope change at ca. 792 K for the Arrhenius plot of σ; the activation energies were 0.39 eV above this temperature and 0.57 eV below it. The NTGO showed the crystal structure (space group C2/m) with substantial positional disordering of one of the two Ga sites. The Na{sup +} ions occupied ca. 43% of the Wyckoff position 4i site, the deficiency of which would contribute to the relatively high ionic conductivity along the b-axis. The reactive diffusion could be widely applicable as the novel technique to the preparation of grain-aligned ceramics of multi-component systems. - Graphical abstract: We have prepared the b-axis-oriented Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} polycrystal embedded in Ga{sub 2}O{sub 3}-doped Na{sub 2}Ti{sub 4}O{sub 9} matrix by the heat treatment of sandwich-type diffusion couple of Ga{sub 2}TiO{sub 5}/NaGaO{sub 2}/Ga{sub 2}TiO{sub 5}. The resulting Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} electrolyte showed the ionic conductivity ranging from 1.3×10{sup −4} S/cm at 573 K to 7.3×10{sup −3} S/cm at 1073 K. - Highlights: • The b-axis-oriented polycrystalline Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} is successfully prepared. • Crystal structure of Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} is determined by single-crystal XRD. • The polycrystal shows relatively high Na{sup +} ion conductivity along the common b-axis. • Reactive diffusion is successfully used for the preparation of grain-aligned ceramics.« less

Variation in Pockels constants of silicate glass-ceramics prepared by perfect surface crystallization

NASA Astrophysics Data System (ADS)

Takano, Kazuya; Takahashi, Yoshihiro; Miyazaki, Takamichi; Terakado, Nobuaki; Fujiwara, Takumi

2018-01-01

We investigated the Pockels effect in polycrystalline materials consisting of highly oriented polar fresnoite-type Sr2TiSi2O8 fabricated using perfectly surface-crystallized glass-ceramics (PSC-GCs). The chemical composition of the precursor glass was shown to significantly affect the crystallized texture, e.g., the crystal orientation and appearance of amorphous nanoparasites in the domains, resulting in variations in the Pockels constants. Single crystals exhibiting spontaneous polarization possessed large structural anisotropy, leading to a strong dependence of the nonlinear-optical properties on the direction of polarized light. This study suggests that variations in the Pockels constants (r13 and r33) and tuning of the r13/r33 ratio can be realized in PSC-GC materials.

Ordered macro-microporous metal-organic framework single crystals

NASA Astrophysics Data System (ADS)

Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

2018-01-01

We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

High spatial resolution grain orientation and strain mapping in thin films using polychromatic submicron x-ray diffraction

NASA Astrophysics Data System (ADS)

Tamura, N.; MacDowell, A. A.; Celestre, R. S.; Padmore, H. A.; Valek, B.; Bravman, J. C.; Spolenak, R.; Brown, W. L.; Marieb, T.; Fujimoto, H.; Batterman, B. W.; Patel, J. R.

2002-05-01

The availability of high brilliance synchrotron sources, coupled with recent progress in achromatic focusing optics and large area two-dimensional detector technology, has allowed us to develop an x-ray synchrotron technique that is capable of mapping orientation and strain/stress in polycrystalline thin films with submicron spatial resolution. To demonstrate the capabilities of this instrument, we have employed it to study the microstructure of aluminum thin film structures at the granular and subgranular levels. Due to the relatively low absorption of x-rays in materials, this technique can be used to study passivated samples, an important advantage over most electron probes given the very different mechanical behavior of buried and unpassivated materials.

The behavior of mineral inclusions during host decomposition. A SEM-STEM study of rutile inclusions at a natural propagating corundum-spinel interface.

NASA Astrophysics Data System (ADS)

Baldwin, Lisa; Li, Chen; Habler, Gerlinde; Abart, Rainer

2017-04-01

When two neighbor phases are not in chemical equilibrium, they may react and produce a reaction rim at their interface, separating the mutually incompatible phases. At constant P-T-X conditions, such a reaction will continue until one of the reactants is completely consumed. Reaction rim growth involves transfer of chemical components across the growing rim by long-range diffusion and localized interface reactions on either side of the growing rim. Consequently, the thickness of the reaction rim will be a function of time. Yet, in order to quantify and interpret such corona structures and to define a reaction rate law, the kinetics and mechanism of rim formation must be well constrained. In particular, the coupling between long-range diffusion, and interface reaction must be known. In this contribution we focus on potential complexities associated with interface reactions. Many natural minerals contain inclusions of other phases, which in turn may influence the reaction interface propagation kinetics during host phase decomposition (Ashby et al. 1969), as a propagating reaction interface dissipates more free energy when bypassing a mineral inclusion, resulting in a locally decelerated reaction rate. Here, we report results of a SEM-STEM study of the interface between natural rutile-bearing corundum and a polycrystalline ferromagnesio-aluminate spinel that grew topotactically with respect to the corundum precursor as a consequence of its reaction with FeO and MgO from basaltic melt. Electron Backscatter Diffraction (EBSD) crystal orientation imaging revealed that the spinel rim is polycrystalline and exhibits (111) twinning that is parallel to the corundum (0001) plane. The rutile inclusions in corundum are elongated perpendicular to the corundum [0001] axis and are randomly oriented in the (0001) plane. Furthermore, they follow an oscillatory grain size distribution zonation with grain sizes being either a few tens of nanometers, or about 500 to 800 nanometers in the elongated axis. The behavior of the rutile inclusions as they are encountered by the propagating corundum-spinel reaction interface strongly depends on the inclusion size. The nano-inclusions are incorporated into the spinel rim, where -after a recrystallization and coarsening step at the reaction interface- they have a size of > 1 micrometer. There, rutiles form inclusions within spinel grains or accumulate at grain- or twin boundaries within the spinel reaction rim. In contrast, larger inclusions in corundum are collected at the reaction interface, leaving behind a largely rutile-free spinel rim. From our investigations, we conclude that the inclusion size plays an important role in the effective mechanisms of interface propagation during precursor phase decomposition. Contrastingly, the reactive interface orientation with respect to certain crystallographic planes of corundum seems not to influence the inclusion behavior.

Exploring electronic structure of one-atom thick polycrystalline graphene films: A nano angle resolved photoemission study

PubMed Central

Avila, José; Razado, Ivy; Lorcy, Stéphane; Fleurier, Romain; Pichonat, Emmanuelle; Vignaud, Dominique; Wallart, Xavier; Asensio, María C.

2013-01-01

The ability to produce large, continuous and defect free films of graphene is presently a major challenge for multiple applications. Even though the scalability of graphene films is closely associated to a manifest polycrystalline character, only a few numbers of experiments have explored so far the electronic structure down to single graphene grains. Here we report a high resolution angle and lateral resolved photoelectron spectroscopy (nano-ARPES) study of one-atom thick graphene films on thin copper foils synthesized by chemical vapor deposition. Our results show the robustness of the Dirac relativistic-like electronic spectrum as a function of the size, shape and orientation of the single-crystal pristine grains in the graphene films investigated. Moreover, by mapping grain by grain the electronic dynamics of this unique Dirac system, we show that the single-grain gap-size is 80% smaller than the multi-grain gap recently reported by classical ARPES. PMID:23942471

Evolutionary selection growth of two-dimensional materials on polycrystalline substrates

NASA Astrophysics Data System (ADS)

Vlassiouk, Ivan V.; Stehle, Yijing; Pudasaini, Pushpa Raj; Unocic, Raymond R.; Rack, Philip D.; Baddorf, Arthur P.; Ivanov, Ilia N.; Lavrik, Nickolay V.; List, Frederick; Gupta, Nitant; Bets, Ksenia V.; Yakobson, Boris I.; Smirnov, Sergei N.

2018-03-01

There is a demand for the manufacture of two-dimensional (2D) materials with high-quality single crystals of large size. Usually, epitaxial growth is considered the method of choice1 in preparing single-crystalline thin films, but it requires single-crystal substrates for deposition. Here we present a different approach and report the synthesis of single-crystal-like monolayer graphene films on polycrystalline substrates. The technological realization of the proposed method resembles the Czochralski process and is based on the evolutionary selection2 approach, which is now realized in 2D geometry. The method relies on `self-selection' of the fastest-growing domain orientation, which eventually overwhelms the slower-growing domains and yields a single-crystal continuous 2D film. Here we have used it to synthesize foot-long graphene films at rates up to 2.5 cm h-1 that possess the quality of a single crystal. We anticipate that the proposed approach could be readily adopted for the synthesis of other 2D materials and heterostructures.

Thin films of a ferroelectric phenazine/chloranilic acid organic cocrystal

NASA Astrophysics Data System (ADS)

Thompson, Nicholas J.; Jandl, Adam C.; Spalenka, Josef W.; Evans, Paul G.

2011-07-01

Phenazine-chloranilic acid cocrystal thin films can be formed by vacuum evaporation of the component molecules onto cooled substrates. Fluxes of phenazine and chloranilic acid were provided from separate sublimation sources, from which the cocrystalline phase can be formed under a wide range of impingement rates of the component molecules. Substrates consisted of Au or Ni thin films on Si wafers, cooled to 100-140 K during deposition. X-ray diffraction and scanning electron microscopy show that this process yields polycrystalline thin films of the cocrystal with voids between crystalline grains. The relative intensities of X-ray reflections differ from reported intensities of polycrystalline powders, suggesting that the films have an anisotropic distribution of crystallographic orientations. The cocrystalline thin films have an effective dielectric constant of 13 at room temperature, increasing at lower temperatures and exhibiting a broad maximum near 200 K. The means to grow thin films of organic ferroelectric materials will allow the integration of new functionalities into organic electronic device structures, including capacitors and field-effect transistors.

Bottle-brush-shaped heterostructures of NiO-ZnO nanowires: growth study and sensing properties

NASA Astrophysics Data System (ADS)

Baratto, C.; Kumar, R.; Comini, E.; Ferroni, M.; Campanini, M.

2017-11-01

We present here heterostructured ZnO-NiO nanowires (NWs), constituted by a core of single crystalline ZnO NWs, covered by poly-crystalline NiO nanorods (NRs). The bottle-brush shape was investigated by scanning electron microscopy and transmission electron microscope, confirming that a columnar growth of NiO occurred over the ZnO core, with a preferred orientation of NiO over ZnO NWs. The heterostructured devices are proposed for gas sensing application. Bare ZnO NWs and heterostructured sensors with two different thicknesses of NiO poly-crystalline NRs were analysed for acetone, ethanol, NO2 and H2 detection. All sensors maintained n-type sensing mechanism, with improved sensing performance for lower thickness of NiO, due to high catalytic activity of NiO. The sensing dynamic is also strongly modified by the presence of heterojunction of NiO/ZnO, with a reduction of response and recovery times towards ethanol and acetone at 400 °C.

Electrical characterization of HgTe nanowires using conductive atomic force microscopy

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

Gundersen, P.; Department of Physics, Norwegian University of Science and Technology, NO-7491 Trondheim; Kongshaug, K. O.

Self-organized HgTe nanowires grown by molecular beam epitaxy (MBE) have been characterized using conductive atomic force microscopy. As HgTe will degrade or evaporate at normal baking temperatures for electron beam lithography (EBL) resists, an alternative method was developed. Using low temperature optical lithography processes, large Au contacts were deposited on a sample covered with randomly oriented, lateral HgTe nanowires. Nanowires partly covered by the large electrodes were identified with a scanning electron microscope and then localized in the atomic force microscope (AFM). The conductive tip of the AFM was then used as a movable electrode to measure current-voltage curves atmore » several locations on HgTe nanowires. The measurements revealed that polycrystalline nanowires had diffusive electron transport, with resistivities two orders of magnitude larger than that of an MBE-grown HgTe film. The difference can be explained by scattering at the rough surface walls and at the grain boundaries in the wires. The method can be a solution when EBL is not available or requires too high temperature, or when measurements at several positions along a wire are required.« less

Growth and characterization of MnAu2 films

NASA Astrophysics Data System (ADS)

Cheng, S. F.; Bussmann, K. M.

2017-01-01

MnAu2 films ranging from 60 to 200 nm thickness are deposited by co-sputtering from elemental targets. X-ray diffraction confirmed these films to be nearly single phase with tetragonal lattice parameters of a=0.336 nm and c=0.872 nm that compare well to the bulk values of a=0.336 nm and c=0.876 nm. The density of the films is analyzed using x-ray reflectivity to be 14.95 g/cm3 and within experimental error of previously determined value of 15.00 g/cm3. The films grown on c-plane sapphire, (100)MgO and (100)MgF2 are randomly oriented polycrystalline, while the films grown on a-plane sapphire, (111)MgO and (111)Si/(0001)AlN showed that the (110) plane is parallel to the film plane and there are three sets of domains in equal amount differing by 60° in-plane rotation. Magnetic order is found to become paramagnetic near 360 K which is in close proximity to the bulk value. There are deviations in the slope of hysteresis loops observed at 10 K around 10 kOe that indicate complex magnetic switching.

Evidence for Electromagnetic Granularity in the Polycrystalline Iron-Based Superconductor LaO(0.89)F(0.11)FeAs

DTIC Science & Technology

2008-01-01

oriented grain-boundaries. In this work we show considerable evidence for such weak-coupling by study of the dependence of magnetization in bulk and...powdered samples. Bulk sample magnetization curves show very little hysteresis while remanent magnetization shows almost no sample size dependence...K Fig. 2 (Color online) Magnetization hysteresis loops at 5 and 20 K for the bulk LaO0.89F0.11FeAs. Inset shows the temperature dependence of

Template synthesis of indium nanowires using anodic aluminum oxide membranes.

PubMed

Chen, Feng; Kitai, Adrian H

2008-09-01

Indium nanowires with diameters approximately 300 nm have been synthesized by a hydraulic pressure technique using anodic aluminum oxide (AAO) templates. The indium melt is injected into the AAO template and solidified to form nanostructures. The nanowires are dense, continuous and uniformly run through the entire approximately 60 microm thickness of the AAO template. X-ray diffraction (XRD) reveals that the nanowires are polycrystalline with a preferred orientation. SEM is performed to characterize the morphology of the nanowires.

Quantum interference magnetoconductance of polycrystalline germanium films in the variable-range hopping regime

NASA Astrophysics Data System (ADS)

Li, Zhaoguo; Peng, Liping; Zhang, Jicheng; Li, Jia; Zeng, Yong; Zhan, Zhiqiang; Wu, Weidong

2018-06-01

Direct evidence of quantum interference magnetotransport in polycrystalline germanium films in the variable-range hopping (VRH) regime is reported. The temperature dependence of the conductivity of germanium films fulfilled the Mott VRH mechanism with the form of ? in the low-temperature regime (?). For the magnetotransport behaviour of our germanium films in the VRH regime, a crossover, from negative magnetoconductance at the low-field to positive magnetoconductance at the high-field, is observed while the zero-field conductivity is higher than the critical value (?). In the regime of ?, the magnetoconductance is positive and quadratic in the field for some germanium films. These features are in agreement with the VRH magnetotransport theory based on the quantum interference effect among random paths in the hopping process.

Significance of Dauphiné twins in crystallographic fabrics of quartz tectonites

NASA Astrophysics Data System (ADS)

Eske Sørensen, Bjørn

2014-05-01

Dauphine twins are commonly found in quartz tectonites, however their role in deformation processes are not completely understood. This study represents a new attempt to understand the interaction between slip systems and Dauphine twins in deforming quartz-rich rocks at different temperatures. There is no doubt that Dauphine twins are mobilized under stress as this has been shown by experiments for single crystals and in polycrystalline aggregates where distinct crystallographic fabrics develop in previously randomly oriented aggregates related to minimization of elastic energy (Tullis 1972). However in quartz tectonites the Dauphine twin process is a part of interplay between plastic deformation and recovery processes which depends on PT, strain-rate and fluid composition and availability. In quartz tectonites with Y-girdle C-axis (GBM-regime) fabrics Dauphiné twins are abundant, relating different parts of r- and z rhomb "comet" distributions. This is interpreted as completion between prism slip and Dauphiné twinning. Slip rotates grains such that CRSS is low on the prism planes, but then Dauphiné twin boundaries sweeps through the grain back to the orientation giving lower stored elastic energy. The faster recovery at higher temperatures gives subgrain walls slowing down twin movement across the mm-sized grain of the GBM regime. At lower temperatures in the SGR-regime grain-size is reduced and different rotations of the grains are happening due to the domination of rhomb and basal slip. Because recrystallization is effective relative to grain-size the grains are commonly free of internal strain and subgrain walls, allowing the favorably oriented Dauphiné twin member to sweep across the whole grain overwhelming the unfavorably oriented Dauphiné twin member. As a consequence high strain reduces the number of Dauphiné twins and quartz rhomb fabrics appear trigonal, missing the "comet" shape of the GBM regime rhomb fabrics. Since Dauphiné twinning is also efficient at low temperatures rocks deformed in the brittle regime may also display stress-induced movement of Dauphiné twins. Though still highly debated Dauphiné twins and quartz rhombs fabrics may evolve as critical tools for determining paleostress orientation. Tullis, J. and Tullis, T. E., 1972, Preferred orientation of quartz produced by mechanical Dauphine twinning: thermodynamics and axial experiments in H. Heard et al., eds., Flow and Fracture of Rocks, Am. Geophys. Union Monograph 16, 67-82.

A Dictionary Approach to Electron Backscatter Diffraction Indexing.

PubMed

Chen, Yu H; Park, Se Un; Wei, Dennis; Newstadt, Greg; Jackson, Michael A; Simmons, Jeff P; De Graef, Marc; Hero, Alfred O

2015-06-01

We propose a framework for indexing of grain and subgrain structures in electron backscatter diffraction patterns of polycrystalline materials. We discretize the domain of a dynamical forward model onto a dense grid of orientations, producing a dictionary of patterns. For each measured pattern, we identify the most similar patterns in the dictionary, and identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixel's neighborhood. Indexing is accomplished by computing the mean orientation of the closest matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic three sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification.

Theory and application of laser ultrasonic shear wave birefringence measurements to the determination of microstructure orientation in transversely isotropic, polycrystalline graphite materials

DOE PAGES

Zeng, Fan W.; Contescu, Cristian I.; Gallego, Nidia C.; ...

2016-12-18

Laser ultrasonic line source methods have been used to study elastic anisotropy in nuclear graphites by measuring shear wave birefringence. Depending on the manufacturing processes used during production, nuclear graphites can exhibit various degrees of material anisotropy related to preferred crystallite orientation and to microcracking. In this paper, laser ultrasonic line source measurements of shear wave birefringence on NBG-25 have been performed to assess elastic anisotropy. Laser line sources allow specific polarizations for shear waves to be transmitted – the corresponding wavespeeds can be used to compute bulk, elastic moduli that serve to quantify anisotropy. These modulus values can bemore » interpreted using physical property models based on orientation distribution coefficients and microcrack-modified, single crystal moduli to represent the combined effects of crystallite orientation and microcracking on material anisotropy. Finally, ultrasonic results are compared to and contrasted with measurements of anisotropy based on the coefficient of thermal expansion to show the relationship of results from these techniques.« less

Structure evolution of zinc oxide thin films deposited by unbalance DC magnetron sputtering

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

Aryanto, Didik, E-mail: didi027@lipi.go.id; Materials Research Group, Physics Department, Universitas Negeri Semarang, Gunungpati, Semarang 50229 Jawa Tengah; Marwoto, Putut

Zinc oxide (ZnO) thin films are deposited on corning glass substrates using unbalanced DC magnetron sputtering. The effect of growth temperature on surface morphology and crystallographic orientation of ZnO thin film is studied using atomic force microscopy (AFM) and X-ray diffraction (XRD) techniques. The surface morphology and crystallographic orientation of ZnO thin film are transformed against the increasing of growth temperature. The mean grain size of film and the surface roughness are inversely and directly proportional towards the growth temperature from room temperature to 300 °C, respectively. The smaller grain size and finer roughness of ZnO thin film are obtainedmore » at growth temperature of 400 °C. The result of AFM analysis is in good agreement with the result of XRD analysis. ZnO thin films deposited in a series of growth temperatures have hexagonal wurtzite polycrystalline structures and they exhibit transformations in the crystallographic orientation. The results in this study reveal that the growth temperature strongly influences the surface morphology and crystallographic orientation of ZnO thin film.« less

Fabrication and nanoscale characterization of magnetic multilayer nanowires

NASA Astrophysics Data System (ADS)

Elawayeb, Mohamed

Magnetic multilayers nanowires are scientifically fascinating and have potential industrial applications in many areas of advanced nanotechnology. These applications arise due to the nanoscale dimensions of nanostructures that lead to unique physical properties. Magnetic multilayer nanowires have been successfully produced by electrodeposition into templates. Anodic Aluminium Oxide (AAO) membranes were used as templates in this process; the templates were fabricated by anodization method in acidic solutions at a fixed voltage. The fabrication method of a range of magnetic multilayer nanowires is described in this study and their structure and dimensions were analyzed using scanning electron microscope (SEM), Transmission electron microscope (TEM) and scanning transmission electron microscopy (STEM). This study is focused on the first growth of NiFe/Pt and NiFe/Fe magnetic multilayer nanowires, which were successfully fabricated by pulse electrodeposition into the channels of porous anodic aluminium oxide (AAO) templates, and characterized at the nanoscale. Individual nanowires have uniform structure and regular periodicity. The magnetic and nonmagnetic layers are polycrystalline, with randomly oriented fcc lattice structure crystallites. Chemical compositions of the individual nanowires were analyzed using TEM equipped with energy-dispersive x-ray analysis (EDX) and electron energy loss spectrometry (EELS). The electrical and magnetoresistance properties of individual magnetic multilayer nanowires have been measured inside a SEM using two sharp tip electrodes attached to in situ nanomanipulators and a new electromagnet technique. The giant magnetoresistance (GMR) effect of individual magnetic multilayer nanowires was measured in the current - perpendicular to the plane (CPP) geometry using a new in situ method at variable magnetic field strength and different orientations..

CuInS2 Films Deposited by Aerosol-Assisted Chemical Vapor Deposition Using Ternary Single-Source Precursors

NASA Technical Reports Server (NTRS)

Jin, Michael; Banger, Kal; Harris, Jerry; Hepp, Aloysius

2003-01-01

Polycrystalline CuInS2 films were deposited by aerosol-assisted chemical vapor deposition using both solid and liquid ternary single-source precursors (SSPs) which were prepared in-house. Films with either (112) or (204/220) preferred orientation, had a chalcopyrite structure, and (112)-oriented films contained more copper than (204/220)-oriented films. The preferred orientation of the film is likely related to the decomposition and reaction kinetics associated with the molecular structure of the precursors at the substrate. Interestingly, the (204/220)-oriented films were always In-rich and were accompanied by a secondary phase. From the results of post-growth annealing, etching experiments, and Raman spectroscopic data, the secondary phase was identified as an In-rich compound. On the contrary, (112)-oriented films were always obtained with a minimal amount of the secondary phase, and had a maximum grain size of about 0.5 micron. Electrical and optical properties of all the films grown were characterized. They all showed p-type conduction with an electrical resistivity between 0.1 and 30 Omega-cm, and an optical band gap of approximately 1.46 eV +/- 0.02, as deposited. The material properties of deposited films revealed this methodology of using SSPs for fabricating chalcopyrite-based solar cells to be highly promising.

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

Kantor, M. M., E-mail: Kantor@imet.ac.ru; Vorkachev, K. G., E-mail: KGV@imet.ac.ru

The efficiency of different techniques application for the investigation of orientation inhomogeneities in polycrystalline materials was studied using FEG SEM-FIB dual beam station equipped with EBSD. It is shown that for the visualization of pearlitic ferrite fragments it is more appropriate to acquire the images in secondary electrons induced by Ga ions. At the same time for the visualization of nano-sized particles it is more prospective to use images in forward scatter electrons in combination with IQ maps. It is established that pearlitic ferrite fragments are not flat. Complicated spatial configuration of orientation inhomogeneities in pearlitic ferrite is shown bymore » means of 3-d reconstruction. The features of ferrites aggregation are revealed depending on pearlitic ferrite fragmentation criterion. The existence of long-range misorientations in the aggregation area of proeutectoid and pearlitic ferrites is shown.« less

Metal-Organic Framework (MOF) Nanorods, Nanotubes, and Nanowires.

PubMed

Arbulu, Roberto C; Jiang, Ying-Bing; Peterson, Eric J; Qin, Yang

2018-05-14

New mechanisms for the controlled growth of one-dimensional (1D) metal-organic framework (MOF) nano- and superstructures under size-confinement and surface-directing effects have been discovered. Through applying interfacial synthesis templated by track-etched polycarbonate (PCTE) membranes, congruent polycrystalline zeolitic imidazolate framework-8 (ZIF-8) solid nanorods and hollow nanotubes were found to form within 100 nm membrane pores, while single crystalline ZIF-8 nanowires grew inside 30 nm pores, all of which possess large aspect ratios up to 60 and show preferential crystal orientation with the {100} planes aligned parallel to the long axis of the pore. Our findings provide a generalizable method for controlling size, morphology, and lattice orientation of MOF nanomaterials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the Concept of Random Orientation in Far-Field Electromagnetic Scattering by Nonspherical Particles

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Yurkin, Maxim A.

2017-01-01

Although the model of randomly oriented nonspherical particles has been used in a great variety of applications of far-field electromagnetic scattering, it has never been defined in strict mathematical terms. In this Letter we use the formalism of Euler rigid-body rotations to clarify the concept of statistically random particle orientations and derive its immediate corollaries in the form of most general mathematical properties of the orientation-averaged extinction and scattering matrices. Our results serve to provide a rigorous mathematical foundation for numerous publications in which the notion of randomly oriented particles and its light-scattering implications have been considered intuitively obvious.

Transport properties of olivine grain boundaries from electrical conductivity experiments

NASA Astrophysics Data System (ADS)

Pommier, Anne; Kohlstedt, David L.; Hansen, Lars N.; Mackwell, Stephen; Tasaka, Miki; Heidelbach, Florian; Leinenweber, Kurt

2018-05-01

Grain boundary processes contribute significantly to electronic and ionic transports in materials within Earth's interior. We report a novel experimental study of grain boundary conductivity in highly strained olivine aggregates that demonstrates the importance of misorientation angle between adjacent grains on aggregate transport properties. We performed electrical conductivity measurements of melt-free polycrystalline olivine (Fo90) samples that had been previously deformed at 1200 °C and 0.3 GPa to shear strains up to γ = 7.3. The electrical conductivity and anisotropy were measured at 2.8 GPa over the temperature range 700-1400 °C. We observed that (1) the electrical conductivity of samples with a small grain size (3-6 µm) and strong crystallographic preferred orientation produced by dynamic recrystallization during large-strain shear deformation is a factor of 10 or more larger than that measured on coarse-grained samples, (2) the sample deformed to the highest strain is the most conductive even though it does not have the smallest grain size, and (3) conductivity is up to a factor of 4 larger in the direction of shear than normal to the shear plane. Based on these results combined with electrical conductivity data for coarse-grained, polycrystalline olivine and for single crystals, we propose that the electrical conductivity of our fine-grained samples is dominated by grain boundary paths. In addition, the electrical anisotropy results from preferential alignment of higher-conductivity grain boundaries associated with the development of a strong crystallographic preferred orientation of the grains.

Conductivity of Nanowire Arrays under Random and Ordered Orientation Configurations

PubMed Central

Jagota, Milind; Tansu, Nelson

2015-01-01

A computational model was developed to analyze electrical conductivity of random metal nanowire networks. It was demonstrated for the first time through use of this model that a performance gain in random metal nanowire networks can be achieved by slightly restricting nanowire orientation. It was furthermore shown that heavily ordered configurations do not outperform configurations with some degree of randomness; randomness in the case of metal nanowire orientations acts to increase conductivity. PMID:25976936

The effect of crystal orientation on the aluminum anodes of the aluminum-air batteries in alkaline electrolytes

NASA Astrophysics Data System (ADS)

Fan, Liang; Lu, Huimin; Leng, Jing; Sun, Zegao; Chen, Chunbo

2015-12-01

Recently, aluminum-air (Al-air) batteries have received attention from researchers as an exciting option for safe and efficient batteries. The electrochemical performance of Aluminum anode remains an active area of investigation. In this paper, the electrochemical properties of polycrystalline Al, Al (001), (110) and (111) single crystals are investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) in 4 M NaOH and KOH. Hydrogen corrosion rates of the Al anodes are determined by hydrogen collection. Battery performance using the anodes is tested by constant current discharge at 10 mA cm-2. This is the first report showing that the electrochemical properties of Al are closely related to the crystallographic orientation in alkaline electrolytes. The (001) crystallographic plane has good corrosion resistance but (110) is more sensitive. Al (001) single crystals display higher anode efficiency and capacity density. Controlling the crystallographic orientation of the Al anode is another way to improve the performance of Al-air batteries in alkaline electrolytes.

Preferentially Oriented Ag Nanocrystals with Extremely High Activity and Faradaic Efficiency for CO2 Electrochemical Reduction to CO.

PubMed

Peng, Xiong; Karakalos, Stavros G; Mustain, William E

2018-01-17

Selective electrochemical reduction of CO 2 is one of the most important processes to study because of its promise to convert this greenhouse gas to value-added chemicals at low cost. In this work, a simple anodization treatment was devised that first oxidizes Ag to Ag 2 CO 3 , then uses rapid electrochemical reduction to create preferentially oriented nanoparticles (PONs) of metallic Ag (PON-Ag) with high surface area as well as high activity and very high selectivity for the reduction of CO 2 to CO. The PON-Ag catalyst was dominated by (110) and (100) orientation, which allowed PON-Ag to achieve a CO Faradaic efficiency of 96.7% at an operating potential of -0.69 V vs RHE. This performance is not only significantly higher than that of polycrystalline Ag (60% at -0.87 V vs RHE) but also represents one of the best combinations of activity and selectivity achieved to date - all with a very simple, scalable approach to electrode fabrication.

Acoustic plane wave preferential orientation of metal oxide superconducting materials

DOEpatents

Tolt, Thomas L.; Poeppel, Roger B.

1991-01-01

A polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0

Molecular dynamics simulations of Li transport between cathode crystals

NASA Astrophysics Data System (ADS)

Garofalini, S. H.

The molecular dynamics (MD) computer simulation technique has been used to study the effect of an amorphous intergranular film (IGF) present in a polycrystalline cathode on Li transport. The solid electrolyte is a model lithium silicate glass while the cathode is a nanocrystalline vanadia with an amorphous V 2O 5 IGF separating the crystals. Thin (˜1 to a few nanometer thick) IGFs are known to be present in most polycrystalline oxide materials. However, the role of such a film on Li transport in oxide cathodes has not been addressed. Current scanning probe microscopy (SPM) studies have shown that the orientation of the layered nanocrystalline vanadia crystals near the cathode/solid electrolyte interface is not optimized for Li ion transport. While the precise structure of the material between the crystals has not been identified, initially it can be initially considered as likely to be a thin non-crystalline (amorphous) film. This is based on the ubiquitous presence of such a structure in other polycrystalline oxides. Also, and with more relevance to the materials used in thin film batteries, an amorphous film can be expected to form between nanocrystals that crystallized from an amorphous matrix, as would be the case in a deposited thin film cathode. Consistent with simulations of Li transport in amorphous vanadia, the current simulations show that Li ions diffuse more rapidly into the amorphous intergranular thin film than into the layered vanadia with the (0 0 1) planes parallel to the cathode/electrolyte interface.

Three dimensional grain boundary modeling in polycrystalline plasticity

NASA Astrophysics Data System (ADS)

Yalçinkaya, Tuncay; Özdemir, Izzet; Fırat, Ali Osman

2018-05-01

At grain scale, polycrystalline materials develop heterogeneous plastic deformation fields, localizations and stress concentrations due to variation of grain orientations, geometries and defects. Development of inter-granular stresses due to misorientation are crucial for a range of grain boundary (GB) related failure mechanisms, such as stress corrosion cracking (SCC) and fatigue cracking. Local crystal plasticity finite element modelling of polycrystalline metals at micron scale results in stress jumps at the grain boundaries. Moreover, the concepts such as the transmission of dislocations between grains and strength of the grain boundaries are not included in the modelling. The higher order strain gradient crystal plasticity modelling approaches offer the possibility of defining grain boundary conditions. However, these conditions are mostly not dependent on misorientation of grains and can define only extreme cases. For a proper definition of grain boundary behavior in plasticity, a model for grain boundary behavior should be incorporated into the plasticity framework. In this context, a particular grain boundary model ([l]) is incorporated into a strain gradient crystal plasticity framework ([2]). In a 3-D setting, both bulk and grain boundary models are implemented as user-defined elements in Abaqus. The strain gradient crystal plasticity model works in the bulk elements and considers displacements and plastic slips as degree of freedoms. Interface elements model the plastic slip behavior, yet they do not possess any kind of mechanical cohesive behavior. The physical aspects of grain boundaries and the performance of the model are addressed through numerical examples.

Optical reflectance and transmittance of photonic polycrystalline structures from living organisms

NASA Astrophysics Data System (ADS)

Vigneron, Jean-Pol; Bay, Annick; Colomer, Jean-François; Van Hooijdonk, Eloise; Simonis, Priscilla

2012-10-01

Scales from specific weevils, longhorns and butterflies have been shown to internally contain a photonic structure that can be described as the agglomeration of photonic crystallites. Usually, the same local photonic structure is found in all crystallites, with different orientations. This distribution is investigated by analysing a large amount of fractured scales. The visual effects produced by fractioning the photonic-crystal into the aggregation of reoriented photonic crystallites can be, for increasing disorder, (1) the loss of iridescence and the loss of metallicity for diffuse coloration, (2) the loss of coloration.

Preparation of AgInSe2 thin films grown by vacuum evaporation method

NASA Astrophysics Data System (ADS)

Matsuo, H.; Yoshino, K.; Ikari, T.

2006-09-01

Polycrystalline AgInSe2 thin films were successfully grown on glass substrates by an evaporation method. The starting materials were stoichiometrically mixed Ag2Se and In2Se3 powders. X-ray diffraction revealed that the sample annealed at 600 °C consisted of AgInSe2 single phase, with (112) orientation and a large grain size. The lattice constant (a axis) was close to JCPDS values. From optical transmittance and reflectance measurements, the bandgap energy was estimated to be 1.17 eV.

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

Gupta, Shashaank; Belianinov, Alex; Okatan, Mahmut B

(001)pc textured K0.5Na0.5NbO3 (KNN) ceramic was found to exhibit a 65% improvement in the longitudinal piezoelectric response as compared to its random counterpart. Piezoresponse force microscopy study revealed the existence of larger 180 and non-180 domains for textured ceramic as compared to that of the random ceramic. Improvement in piezoresponse by the development of (001)pc texture is discussed in terms of the crystallographic nature of KNN and domain morphology. A comparative analysis performed with a rhombohedral composition suggested that the improvement in longitudinal piezoresponse of polycrystalline ceramics by the development of (001)pc texture is limited by the crystal structure.

NMR Spectra of Oriented Samples of Intercalated Fluorographite and 19F Chemical Shielding Anisotropy of the CIF 3 Molecule

NASA Astrophysics Data System (ADS)

Panich, A. M.

The analysis of 19F NMR spectra of polycrystalline and partially oriented samples of fluorinated graphite (C 2F) n intercalated with chlorine trifluoride has been carried out. Molecular mobility results in almost complete averaging of the dipole-dipole interactions of nuclei, while the essential chemical shielding anisotropy (CSA) is manifested. There is suggested molecular rotation about its C2 axes, which in turn rotates about the normal to the graphite plane. The CSA (σ || - σ ⊥) is determined to be 510 and -640 ppm, respectively, for the two inequivalent fluorine atoms of the molecule. The effect of the "antiparamagnetic" shielding leading to inversion of the chemical shielding tenser [(σ || - σ ⊥) < 0] for the equatorial F atom and anomalous line disposition in the NMR spectrum is discussed.

Effect of electrical and mechanical poling history on domain orientation and piezoelectric properties of soft and hard PZT ceramics

NASA Astrophysics Data System (ADS)

Marsilius, Mie; Granzow, Torsten; Jones, Jacob L.

2011-02-01

The superior piezoelectric properties of all polycrystalline ferroelectrics are based on the extent of non-180° domain wall motion under electrical and mechanical poling loads. To distinguish between 180° and non-180° domain wall motion in a soft-doped and a hard-doped lead zirconate titanate (PZT) ceramic, domain texture measurements were performed using x-ray and neutron diffraction after different loading procedures. Comparing the results to measurements of the remanent strain and piezoelectric coefficient allowed the differentiation between different microstructural contributions to the macroscopic parameters. Both types of ceramic showed similar behavior under electric field, but the hard-doped material was more susceptible to mechanical load. A considerable fraction of the piezoelectric coefficient originated from poling by the preferred orientation of 180° domains.

On the Discontinuity of Polycrystalline Silicon Thin Films Realized by Aluminum-Induced Crystallization of PECVD-Deposited Amorphous Si

NASA Astrophysics Data System (ADS)

Pan, Qingtao; Wang, Tao; Yan, Hui; Zhang, Ming; Mai, Yaohua

2017-04-01

Crystallization of glass/Aluminum (50, 100, 200 nm) /hydrogenated amorphous silicon (a-Si:H) (50, 100, 200 nm) samples by Aluminum-induced crystallization (AIC) is investigated in this article. After annealing and wet etching, we found that the continuity of the polycrystalline silicon (poly-Si) thin films was strongly dependent on the double layer thicknesses. Increasing the a-Si:H/Al layer thickness ratio would improve the film microcosmic continuity. However, too thick Si layer might cause convex or peeling off during annealing. Scanning electron microscopy (SEM) and Energy Dispersive X-ray spectroscopy (EDX) are introduced to analyze the process of the peeling off. When the thickness ratio of a-Si:H/Al layer is around 1 to 1.5 and a-Si:H layer is less than 200 nm, the poly-Si film has a good continuity. Hall measurements are introduced to determine the electrical properties. Raman spectroscopy and X-ray diffraction (XRD) results show that the poly-Si film is completely crystallized and has a preferential (111) orientation.

Hot forming of silicon sheet, silicon sheet growth development for the large area silicon sheet task of the low cost silicon solar array project

NASA Technical Reports Server (NTRS)

Graham, C. D., Jr.; Pope, D. P.; Kulkarni, S.; Wolf, M.

1978-01-01

The hot workability of polycrystalline silicon was studied. Uniaxail stress-strain curves are given for strain rates in the range of .0001 to .1/sec and temperatures from 1100 to 1380 C. At the highest strain rates at 1380 C axial strains in excess of 20% were easily obtainable without cracking. After deformations of 36%, recrystallization was completed within 0.1 hr at 1380 C. When the recrystallization was complete, there was still a small volume fraction of unrecyrstallized material which appeared very stable and may degrade the electronic properties of the bulk materials. Texture measurements showed that the as-produced vapor deposited polycrystalline rods have a 110 fiber texture with the 110 direction parallel to the growth direction and no preferred orientation about this axis. Upon axial compression perpendicular to the growth direction, the former 110 fiber axis changed to 111 and the compression axis became 110 . Recrystallization changed the texture to 110 along the former fiber axis and to 100 along the compression axis.

Evolutionary selection growth of two-dimensional materials on polycrystalline substrates

DOE PAGES

Vlassiouk, Ivan V.; Stehle, Yijing; Pudasaini, Pushpa Raj; ...

2018-03-12

There is a demand for the manufacture of two-dimensional (2D) materials with high-quality single crystals of large size. Usually, epitaxial growth is considered the method of choice in preparing single-crystalline thin films, but it requires single-crystal substrates for deposition. Here in this paper we present a different approach and report the synthesis of single-crystal-like monolayer graphene films on polycrystalline substrates. The technological realization of the proposed method resembles the Czochralski process and is based on the evolutionary selection approach, which is now realized in 2D geometry. The method relies on ‘self-selection’ of the fastest-growing domain orientation, which eventually overwhelms themore » slower-growing domains and yields a single-crystal continuous 2D film. Here we have used it to synthesize foot-long graphene films at rates up to 2.5 cm h -1 that possess the quality of a single crystal. We anticipate that the proposed approach could be readily adopted for the synthesis of other 2D materials and heterostructures.« less

Evolutionary selection growth of two-dimensional materials on polycrystalline substrates

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

Vlassiouk, Ivan V.; Stehle, Yijing; Pudasaini, Pushpa Raj

There is a demand for the manufacture of two-dimensional (2D) materials with high-quality single crystals of large size. Usually, epitaxial growth is considered the method of choice in preparing single-crystalline thin films, but it requires single-crystal substrates for deposition. Here in this paper we present a different approach and report the synthesis of single-crystal-like monolayer graphene films on polycrystalline substrates. The technological realization of the proposed method resembles the Czochralski process and is based on the evolutionary selection approach, which is now realized in 2D geometry. The method relies on ‘self-selection’ of the fastest-growing domain orientation, which eventually overwhelms themore » slower-growing domains and yields a single-crystal continuous 2D film. Here we have used it to synthesize foot-long graphene films at rates up to 2.5 cm h -1 that possess the quality of a single crystal. We anticipate that the proposed approach could be readily adopted for the synthesis of other 2D materials and heterostructures.« less

Nonequilibrium partitioning during rapid solidification of SiAs alloys

NASA Astrophysics Data System (ADS)

Kittl, J. A.; Aziz, M. J.; Brunco, D. P.; Thompson, M. O.

1995-02-01

The velocity dependence of the partition coefficient was measured for rapid solidification of polycrystalline Si-4.5 at% As and Si-9 at% As alloys induced by pulsed laser melting. The results constitute the first test of partitioning models both for the high velocity regime and for non-dilute alloys. The continuous growth model (CGM) of Aziz and Kaplan fits the data well, but with an unusually low diffusive speed of 0.46 m/s. The data show negligible dependence of partitioning on concentration, also consistent with the CGM. The predictions of the Hillert-Sundman model are inconsistent with partitioning results. Using the aperiodic stepwise growth model (ASGM) of Goldman and Aziz, an average over crystallographic orientations with parameters from independent single-crystal experiments is shown to be reasonably consistent with these polycrystalline partitioning results. The results, combined with others, indicate that the CGM without solute drag and its extension to lateral ledge motion, the ASGM, are the only models that fit the data for both solute partioning and kinetic undercooling interface response functions. No current solute drag models can match both partitioning and undercooling measurements.

Strain history of ice shells of the Galilean satellites from radar detection of crystal orientation fabric

NASA Astrophysics Data System (ADS)

Barr, Amy C.; Stillman, David E.

2011-03-01

Orbital radar sounding has been suggested as a means of determining the subsurface thermal and physical structure of the outer ice I shells of the Galilean satellites. At radar frequencies, the dielectric permittivity of single- and polycrystalline water ice I is anisotropic. Crystal orientation fabric (COF), which is indicative of strain history, can be unambiguously detected by comparing the received power of dual co-polarization (linear polarization parallel and perpendicular to the orbit) radar data. Regions with crystal orientations dictated by the local strain field (“fabric”) form in terrestrial ice masses where accumulated strain and temperature are high, similar to conditions expected in a convecting outer ice I shell on Europa, Ganymede, or Callisto. We use simulations of solid-state ice shell convection to show that crystal orientation fabric can form in the warm convecting sublayer of the ice shells for plausible grain sizes. Changes in received power from parallel and perpendicular polarizations in the ice shells due to fabric could be detected if multi-polarization data is collected. With proper instrument design, radar sounding could be used to shed light on the strain history of the satellites' ice shells in addition to their present day internal structures.

Magnetic and Structural characterization of Co nanowires using advanced electron microscopy techniques

NASA Astrophysics Data System (ADS)

Cantu-Valle, Jesus; Ruiz-Zepeda, Francisco; Sanchez, John Eder; Mendoza-Santoyo, Fernando; Ponnce, Arturo; UTSA Team

2015-03-01

We report the magnetic imaging and crystalline structure of high aspect ratio cobalt nanowires. Experimental results of magnetization reversal in cobalt nanowires are presented to illustrate the functionality of the in situ magnetization process through the manipulation of the objective lens. By making use of this applicability, we measure the magnetization and show experimental evidence of the magnetic flux distribution in polycrystalline cobalt nanowires using off-axis electron holography. The retrieved phase map can distinguishes the magnetic contribution from the crystalline contribution with high accuracy. To determine the size and orientation of the grains within the Co nanowires, PED-assisted orientation mapping was performed. Finally, the magnetic analysis performed at individual nanowires was correlated with the crystalline orientation map, obtained by PED-assisted crystal phase orientation mapping. The large shape anisotropy determines the mayor magnetization direction rather than the magneto-crystalline anisotropy in the studied nanowires. The combination of the two techniques allowed us to directly visualize the effects of the crystallographic texture on the magnetization of the nanowire. The authors would like to acknowledge Dr. B.J.H. Stadler for providing the samples and financial support from NSF PREM #DMR 0934218, CONACYT, #215762 and Department of Defense #64756-RT-REP.

Effect of substrates on the molecular orientation of silicon phthalocyanine dichloride thin films

NASA Astrophysics Data System (ADS)

Deng, Juzhi; Baba, Yuji; Sekiguchi, Tetsuhiro; Hirao, Norie; Honda, Mitsunori

2007-05-01

Molecular orientations of silicon phthalocyanine dichloride (SiPcCl2) thin films deposited on three different substrates have been measured by near-edge x-ray absorption fine structure (NEXAFS) spectroscopy using linearly polarized synchrotron radiation. The substrates investigated were highly oriented pyrolitic graphite (HOPG), polycrystalline gold and indium tin oxide (ITO). For thin films of about five monolayers, the polarization dependences of the Si K-edge NEXAFS spectra showed that the molecular planes of SiPcCl2 on three substrates were nearly parallel to the surface. Quantitative analyses of the polarization dependences revealed that the tilted angle on HOPG was only 2°, which is interpreted by the perfect flatness of the HOPG surface. On the other hand, the tilted angle on ITO was 26°. Atomic force microscopy (AFM) observation of the ITO surface showed that the periodicity of the horizontal roughness is of the order of a few nanometres, which is larger than the molecular size of SiPcCl2. It is concluded that the morphology of the top surface layer of the substrate affects the molecular orientation of SiPcCl2 molecules not only for mono-layered adsorbates but also for multi-layered thin films.

Plastic strain arrangement in copper single crystals in sliding

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

Chumaevskii, Andrey V., E-mail: tch7av@gmail.com; Lychagin, Dmitry V., E-mail: dvl-tomsk@mail.ru; Tarasov, Sergei Yu., E-mail: tsy@ispms.tsc.ru

2014-11-14

Deformation of tribologically loaded contact zone is one of the wear mechanisms in spite of the fact that no mass loss may occur during this process. Generation of optimal crystallographic orientations of the grains in a polycrystalline materials (texturing) may cause hardening and reducing the deformation wear. To reveal the orientation dependence of an individual gain and simplify the task we use copper single crystals with the orientations of the compression axis along [111] and [110]. The plastic deformation was investigated by means of optical, scanning electron microscopy and EBSD techniques. It was established that at least four different zonesmore » were generated in the course of sliding test, such as non-deformed base metal, plastic deformation layer sliding, crystalline lattice reorientation layer and subsurface grain structure layer. The maximum plastic strain penetration depth was observed on [110]-single crystals. The minimum stability of [111]-crystals with respect to rotation deformation mode as well as activation of shear in the sliding contact plane provide for rotation deformation localization below the worn surface. The high-rate accumulation of misorientations and less strain penetration depth was observed on [111]-crystals as compared to those of [110]-oriented ones.« less

Virtual Electrochemical Strain Microscopy of Polycrystalline LiCoO2 Films

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

Chung, Ding-wen; Balke, Nina; Kalinin, Sergei V

2011-01-01

A recently developed technique, electrochemical strain microscopy (ESM), utilizes the strong coupling between ionic current and anisotropic volumetric chemical expansion of lithium-ion electrode materials to dynamically probe the sub-one-hundred? nm inter-facial kinetic intercalation properties. A numerical technique based on the finite element method was developed to analyze the underlying physics that govern the ESM signal generation and establish relations to battery performance. The performed analysis demonstrates that the diffusion path within a thin film is tortuous and the extent of lithium diffusion into the electrode is dependent on the SPM-tip-imposed overpotential frequency. The detected surface actuation gives rise to themore » development of an electromechanical hysteresis loop whose shape is dependent on grain size and overpotential frequency. Shape and tilting angle of the loop are classified into low and high frequency regimes, separated by a transition frequency which is also a function of lithium diffusivity and grain size, f{sub T} = D//{sup 2}. Research shows that the crystallographic orientation of the surface actuated grain has a significant impact on the shape of the loop. The polycrystalline crystallographic orientation of the grains induces a diffusion path network in the electrode which impacts on the mechanical reliability of the battery. Simulations demonstrate that continuous battery cycling results in a cumulative capacity loss as a result of the hysteric non-reversible lithium intercalation. Furthermore, results suggest that ESM has the capability to infer the local out-of-plane lithium diffusivity and the out-of-plane contribution to Vegard tensor.« less

Virtual Electrochemical Strain Microscopy of Polycrystalline LiCoO2 Films

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

Chung, Ding-Wen; Balke, Nina; Kalinin, Sergei V.

2011-08-03

A recently developed technique, electrochemical strain microscopy (ESM), utilizes the strong coupling between ionic current and anisotropic volumetric chemical expansion of lithium-ion electrode materials to dynamically probe the sub-one-hundred? nm inter-facial kinetic intercalation properties. A numerical technique based on the finite element method was developed to analyze the underlying physics that govern the ESM signal generation and establish relations to battery performance. The performed analysis demonstrates that the diffusion path within a thin film is tortuous and the extent of lithium diffusion into the electrode is dependent on the SPM-tip-imposed overpotential frequency. The detected surface actuation gives rise to themore » development of an electromechanical hysteresis loop whose shape is dependent on grain size and overpotential frequency. Shape and tilting angle of the loop are classified into low and high frequency regimes, separated by a transition frequency which is also a function of lithium diffusivity and grain size, f T = D/l₂. Research shows that the crystallographic orientation of the surface actuated grain has a significant impact on the shape of the loop. The polycrystalline crystallographic orientation of the grains induces a diffusion path network in the electrode which impacts on the mechanical reliability of the battery. Simulations demonstrate that continuous battery cycling results in a cumulative capacity loss as a result of the hysteric non-reversible lithium intercalation. Furthermore, results suggest that ESM has the capability to infer the local out-of-plane lithium diffusivity and the out-of-plane contribution to Vegard tensor.« less

Magnetic hysteresis in small-grained CoxPd1-x nanowire arrays

NASA Astrophysics Data System (ADS)

Viqueira, M. S.; Pozo-López, G.; Urreta, S. E.; Condó, A. M.; Cornejo, D. R.; Fabietti, L. M.

2015-11-01

Co-Pd nanowires with small grain size are fabricated by AC electrodeposition into hexagonally ordered alumina pores, 20-35 nm in diameter and about 1 μm long. The effects of the alloy composition, the nanowire diameter and the grain size on the hysteresis properties are considered. X-ray diffraction indicates that the nanowires are single phase, a fcc Co-Pd solid solution; electron microscopy results show that they are polycrystalline, with randomly oriented grains (7-12 nm), smaller than the wire diameter. Nanowire arrays are ferromagnetic, with an easy magnetization axis parallel to the nanowire long axis. Both, the coercive field and the loop squareness monotonously increase with the Co content and with the grain size, but no clear correlation with the wire diameter is found. The Co and Co-rich nanowire arrays exhibit coercive fields and reduced remanence values quite insensitive to temperature in the range 4 K-300 K; on the contrary, in Pd-rich nanowires both magnitudes are smaller and they largely increase during cooling below 100 K. These behaviors are systematized by considering the strong dependences displayed by the magneto-crystalline anisotropy and the saturation magnetostriction on composition and temperature. At low temperatures the effective anisotropy value and the domain-wall width to grain size ratio drastically change, promoting less cooperative and harder nucleation modes.

The structure of and origin of nodular chromite from the Troodos ophiolite, Cyprus, revealed using high-resolution X-ray computed tomography and electron backscatter diffraction

NASA Astrophysics Data System (ADS)

Prichard, H. M.; Barnes, S. J.; Godel, B.; Reddy, S. M.; Vukmanovic, Z.; Halfpenny, A.; Neary, C. R.; Fisher, P. C.

2015-03-01

Nodular chromite is a characteristic feature of ophiolitic podiform chromitite and there has been much debate about how it forms. Nodular chromite from the Troodos ophiolite in Cyprus is unusual in that it contains skeletal crystals enclosed within the centres of the nodules and interstitial to them. 3D imaging and electron backscatter diffraction have shown that the skeletal crystals within the nodules are single crystals that are surrounded by a rim of polycrystalline chromite. 3D analysis reveals that the skeletal crystals are partially or completely formed cage or hopper structures elongated along the < 111 > axis. The rim is composed of a patchwork of chromite grains that are truncated on the outer edge of the rim. The skeletal crystals formed first from a magma supersaturated in chromite and silicate minerals crystallised from melt trapped between the chromite skeletal crystal blades as they grew. The formation of skeletal crystals was followed by a crystallisation event which formed a silicate-poor rim of chromite grains around the skeletal crystals. These crystals show a weak preferred orientation related to the orientation of the core skeletal crystal implying that they formed by nucleation and growth on this core, and did not form by random mechanical aggregation. Patches of equilibrium adcumulate textures within the rim attest to in situ development of such textures. The nodules were subsequently exposed to chromite undersaturated magma resulting in dissolution, recorded by truncated grain boundaries in the rim and a smooth outer surface to the nodule. None of these stages of formation require a turbulent magma. Lastly the nodules impinged on each other causing local deformation at points of contact.

Machine Learning and Infrared Thermography for Fiber Orientation Assessment on Randomly-Oriented Strands Parts.

PubMed

Fernandes, Henrique; Zhang, Hai; Figueiredo, Alisson; Malheiros, Fernando; Ignacio, Luis Henrique; Sfarra, Stefano; Ibarra-Castanedo, Clemente; Guimaraes, Gilmar; Maldague, Xavier

2018-01-19

The use of fiber reinforced materials such as randomly-oriented strands has grown in recent years, especially for manufacturing of aerospace composite structures. This growth is mainly due to their advantageous properties: they are lighter and more resistant to corrosion when compared to metals and are more easily shaped than continuous fiber composites. The resistance and stiffness of these materials are directly related to their fiber orientation. Thus, efficient approaches to assess their fiber orientation are in demand. In this paper, a non-destructive evaluation method is applied to assess the fiber orientation on laminates reinforced with randomly-oriented strands. More specifically, a method called pulsed thermal ellipsometry combined with an artificial neural network, a machine learning technique, is used in order to estimate the fiber orientation on the surface of inspected parts. Results showed that the method can be potentially used to inspect large areas with good accuracy and speed.

Machine Learning and Infrared Thermography for Fiber Orientation Assessment on Randomly-Oriented Strands Parts

PubMed Central

Maldague, Xavier

2018-01-01

The use of fiber reinforced materials such as randomly-oriented strands has grown in recent years, especially for manufacturing of aerospace composite structures. This growth is mainly due to their advantageous properties: they are lighter and more resistant to corrosion when compared to metals and are more easily shaped than continuous fiber composites. The resistance and stiffness of these materials are directly related to their fiber orientation. Thus, efficient approaches to assess their fiber orientation are in demand. In this paper, a non-destructive evaluation method is applied to assess the fiber orientation on laminates reinforced with randomly-oriented strands. More specifically, a method called pulsed thermal ellipsometry combined with an artificial neural network, a machine learning technique, is used in order to estimate the fiber orientation on the surface of inspected parts. Results showed that the method can be potentially used to inspect large areas with good accuracy and speed. PMID:29351240

Photovoltaic Cell Having A P-Type Polycrystalline Layer With Large Crystals

DOEpatents

Albright, Scot P.; Chamberlin, Rhodes R.

1996-03-26

A photovoltaic cell has an n-type polycrystalline layer and a p-type polycrystalline layer adjoining the n-type polycrystalline layer to form a photovoltaic junction. The p-type polycrystalline layer comprises a substantially planar layer portion having relatively large crystals adjoining the n-type polycrystalline layer. The planar layer portion includes oxidized impurities which contribute to obtainment of p-type electrical properties in the planar layer portion.

Ductile failure initiation and evolution in porous polycrystalline aggregates due to interfacial effects

NASA Astrophysics Data System (ADS)

Ashmawi, Waeil Muhammad Al-Anwar

New analytical and computational formulations have been developed for the investigation of micro structurally induced ductile failure mechanisms in porous polycrystalline aggregates with low and high (CSL) angle grain-boundaries (GBs). A multiple-slip rate-dependent crystalline constitutive formulation that is coupled to the evolution of mobile and immobile dislocation densities, a new internal porosity formulation for void nucleation and growth, and specialized computational schemes have been developed to obtain a detailed understanding of the multi-scale interrelated physical mechanisms that result in ductile failure in polycrystalline materials. Comprehensive transmission and pile-up mechanisms have also been introduced to investigate dislocation-density impedance and slip-rate incompatibility at the GBs. The interrelated effects of GB orientation, mobile and immobile dislocation densities, strain hardening, geometrical softening, localized plastic strains, and dislocation-density transmission and blockage on void growth, interaction, and coalescence have been studied. Criteria have been developed to identify and monitor the initiation and development of potential dislocation-density activity sites adjacent to GB regions. These interactions play an important role in the formation of GB pile-up and transmission regions. The effects of GB structure and orientation on ductile failure have been accounted for by the development of GB interfacial kinematic conditions that account for a multitude of dislocation-density interactions with GBs, such as full and partial transmission, impedance, blockage, and absorption. Pile-ups and transmission regions are identified and monitored as the deformation and failure evolve. These kinematic conditions are linked to the initiation and evolution of failure modes by the development of a new internal porosity evolution formulation that accounts for void nucleation and growth. The internal porosity relation is coupled with the proposed dislocation-density based crystalline constitutive formulation, the interfacial GB dislocation-density interaction models, and the specialized computational schemes to obtain detailed predictions of the behavior of aggregates with explicit voids that have different orientations and combinations of sizes, shapes, and spacings. Results from the present study indicate that material failure is a competition between different interrelated effects, such as stress triaxiality, accumulated plastic shear strain, temperature, dislocation density concentration, and grain and GB crystallographic orientations. For all void arrangements, as the void size is increased, specimen necking is diffuse and failure is concentrated in the ligament regions. Furthermore, there are more dislocation-density activity sites for potential transmission and pile-ups at the GBs. Failure is concentrated along the void peripheries and within intervoid ligaments. It has been shown that the evolution of the mobile dislocation density saturation curves, and their saturation rate are directly related to the aggregate response. Nucleation and growth for all void distributions have occurred in regions of maximum dislocation density and along preferred crystallographic orientations. Spatial distributions of porosity, accumulated plastic strains, and pressure have been obtained to further elucidate how these parameters evolve and affect void to void interaction in critical ligament and localized regions as a function of intervoid spacing and nominal strains. These failure predictions can be also used to identify intergranular and transgranular failure propagation. The present study underscores the importance of using dislocation-density based multiple-slip crystalline constitutive formulations and GB interfacial mechanisms that are consistent with experimental observations and results to accurately characterize the microstructural evolution of deformation and failure modes on a length scale that is commensurate with the material competition between the inherent strengthening and softening mechanisms of crystalline systems.

Growth, characterization and device development in monocrystalline diamond films

NASA Astrophysics Data System (ADS)

Davis, R. F.; Glass, J. T.; Nemanich, R. J.; Bozeman, S. P.; Sowers, A. T.

1995-06-01

Experimental and theoretical studies concerned with interface interactions of diamond with Si, Ni, and Ni3Si substrates have been conducted. Oriented diamond films deposited on (100) Si were characterized by polar Raman, polar x-ray diffraction (XRD), and cross-sectional high resolution transmission electron microscopy (HRTEM). These sutides showed that the diamond(100)/Si(100) interface adopted the 3:2-match arrangement rather than a 45 deg rotation. Extended Hueckel tight-binding (EHTB) electronic structure calculations for a model system revealed that the interface interaction favors the 3:2-match arrangement. Growth on polycrystalline Ni3Si resulted in oriented diamond particles; under the same growth conditions, graphite was formed on the nickel substrate. Our EHTB electronic structure calculations showed that the (111) and (100) surfaces of Ni3Si have a strong preference for diamond nucleation over graphite nucleation, but this was not the case for the (111) and (100) surfaces of Ni.

Anomalous heat transfer in two polymorphs of para-bromobenzophenone

NASA Astrophysics Data System (ADS)

Romantsova, O. O.; Horbatenko, Yu. V.; Krivchikov, A. I.; Korolyuk, O. A.; Vdovichenko, G. A.; Zloba, D. I.; Pyshkin, O. S.

2017-03-01

The thermal conductivity of a polycrystalline sample of monoclinic polymorph of para-bromobenzophenone in the T = 3-320 K temperature range was measured using steady-state linear heat flow. The temperature dependences of thermal conductivity are presented as the sum of two independent contributions: a contribution that corresponds to the thermal conductivity of an orientationally ordered crystal structure, and a new additional thermally activated contribution that manifests itself above 130 K. A comparison is made with the data on the thermal conductivity of a single crystal triclinic polymorph of para-bromobenzophenone. It is established that the contribution corresponding to the thermal conductivity of the orientationally ordered crystal structure depends on the molecular crystal packing, and the characteristic activation energy of the thermal activation contribution, which is caused by the intramolecular vibrations of the C-Br bond, does not depend on the grain size or on the structure of the sample.

Investigation of noble metal substrates and buffer layers for BiSrCaCuO thin films

NASA Astrophysics Data System (ADS)

Matthiesen, M. M.; Rubin, L. M.; Williams, K. E.; Rudman, D. A.

Noble metal buffer layers and substrates for Bi2Sr2CaCu2O8 (BSCCO) films were investigated using bulk ceramic processing and thin-film techniques. Highly oriented, superconducting BSCCO films were fabricated on polycrystalline Ag substrates and on Ag/MgO and Ag/YSZ structures. Such films could not be produced on Au or Pt substrates under any annealing conditions. In addition, superconducting BSCCO films could not be produced on Ag/Al2O3, Ag/SiO2/Si, or Ag/(Haynes 230 alloy) structures using high annealing temperatures (870 C). However, oriented although poorly connected, superconducting BSCCO films were fabricated on Ag/Al2O3 structures by using lower annealing temperatures (820 C). Once lower processing temperatures are optimized, Ag may be usable as a buffer layer for BSCCO films.

Optimization of solar cells for air mass zero operation and a study of solar cells at high temperatures

NASA Technical Reports Server (NTRS)

Hovel, H. J.; Vernon, S. M.

1982-01-01

The power to weight ratio of GaAs cells can be reduced by fabricating devices using thin GaAs films on low density substrate materials (silicon, glass, plastics). A graphoepitaxy technique was developed which uses fine geometric patterns in the substrate to affect growth. Initial substrates were processed by etching 25 microns deep grooves into 100 oriented wafers; fine-grained polycrystalline GaAs layers 25-50 microns thick were then deposited on these and recrystallization was performed, heating the substrates to above the GaAs melting point in ASH3 atmosphere, resulting in large grain regrowth oriented along the groove dimensions. Experiments with smaller groove depths and spacings were initially encouraging; single large GaAs grains would totally cover one and often two groove fields of 14 groove each spanning several hundred microns. Dielectric coatings on the grooved substrates were also used to modify the growth.

ZnO-based transparent conductive thin films via sonicated-assisted sol-gel technique

NASA Astrophysics Data System (ADS)

Malek, M. F.; Mamat, M. H.; Ismail, A. S.; Yusoff, M. M.; Mohamed, R.; Rusop, M.

2018-05-01

We report on the growth of Al-doped ZnO (AZO) thin films onto Corning 7740 glass substrates via sonicated-assisted sol-gel technique. The influence of Al dopant on crystallisation behavior, optical and electrical properties of AZO films has been systematically investigated. All films are polycrystalline with a hexagonal wurtzite structure with a preferential orientation according to the direction <002>. All films exhibit a transmittance above than 80-90 % along the visible range up to 800 nm and a sharp absorption onset below 400 nm corresponding to the fundamental absorption edge of ZnO.

Initial Growth of Single-Crystalline Nanowires: From 3D Nucleation to 2D Growth.

PubMed

Huang, Xh; Li, Gh; Sun, Gz; Dou, Xc; Li, L; Zheng, Lx

2010-04-17

The initial growth stage of the single-crystalline Sb and Co nanowires with preferential orientation was studied, which were synthesized in porous anodic alumina membranes by the pulsed electrodeposition technique. It was revealed that the initial growth of the nanowires is a three-dimensional nucleation process, and then gradually transforms to two-dimensional growth via progressive nucleation mechanism, which resulting in a structure transition from polycrystalline to single crystalline. The competition among the nuclei inside the nanoscaled-confined channel and the growth kinetics is responsible for the structure transition of the initial grown nanowires.

Adhesion, friction, and wear of a copper bicrystal with (111) and (210) grains

NASA Technical Reports Server (NTRS)

Brainard, W. A.; Buckley, D. H.

1973-01-01

Sliding friction experiments were conducted in air with polycrystalline copper and ruby riders sliding against a copper bicrystal. Friction coefficient was measured across the bicrystal surface, and the initiation of adhesive wear was examined with scanning electron microscopy. Results indicate a marked increase in friction coefficient as the copper rider crossed the grain boundary from the (111) plane to the (210) plane of the bicrystal. Adhesion, friction, and initiation of adhesive wear was notably different in the adjacent grains of differing orientation. A slip-band adhesion-generated fracture mechanism for wear particle formation is proposed.

Local texture and strongly linked conduction in spray-pyrolyzed TlBa2Ca2Cu3O(8+x) deposits

NASA Astrophysics Data System (ADS)

Kroeger, D. M.; Goyal, A.; Specht, E. D.; Wang, Z. L.; Tkaczyk, J. E.; Sutliff, J. A.; Deluca, J. A.

Local texture in polycrystalline TlBa2Ca2 Cu3O(8+x) deposits has been determined from transmission electron microscopy, electron backscatter diffraction patterns and x-ray diffraction. The small-grained deposits had excellent c-axis alignment and contained colonies of grains with similar but not identical a-axis orientations. Most grain boundaries within a colony have small misorientation angles and should not be weak links. It is proposed that long range conduction utilizes a percolative network of small angle grain boundaries at colony intersections.

Structural and magnetic properties of non-stoichiometric Fe1-xO thin films

NASA Astrophysics Data System (ADS)

Muhammed Shameem P., V.; Mekala, Laxman; Kumar, M. Senthil

2018-04-01

The Fe1-xO thin films of various iron deficiencies (x) have been grown at ambient temperature by reactive dc magnetron sputtering technique and their structural and magnetic properties are studied. The structural study shows that the films are polycrystalline. As the iron content (1-x) varies from 0.924 to 0.855 a clear consistent change in the preferential orientation of the grains from [111] to the [200] direction is observed. The magnetization measurements show the possible existence of small superparamagnetic defect clusters at 300 K and large spinel-type defect clusters below the Neel temperature.

A technique for recording polycrystalline structure and orientation during in situ deformation cycles of rock analogues using an automated fabric analyser.

PubMed

Peternell, M; Russell-Head, D S; Wilson, C J L

2011-05-01

Two in situ plane-strain deformation experiments on norcamphor and natural ice using synchronous recording of crystal c-axis orientations have been performed with an automated fabric analyser and a newly developed sample press and deformation stage. Without interrupting the deformation experiment, c-axis orientations are determined for each pixel in a 5 × 5 mm sample area at a spatial resolution of 5 μm/pixel. In the case of norcamphor, changes in microstructures and associated crystallographic information, at a strain rate of ∼2 × 10(-5) s(-1), were recorded for the first time during a complete in situ deformation-cycle experiment that consisted of an annealing, deformation and post-deformation annealing path. In the case of natural ice, slower external strain rates (∼1 × 10(-6) s(-1)) enabled the investigation of small changes in the polycrystal aggregate's crystallography and microstructure for small amounts of strain. The technical setup and first results from the experiments are presented. © 2010 The Authors Journal of Microscopy © 2010 Royal Microscopical Society.

EBSD characterization of pre-Cambrian deformations in conglomerate pebbles (Sierra de la Demanda, Northern Spain)

NASA Astrophysics Data System (ADS)

Puelles, Pablo; Ábalos, Benito; Fernández-Armas, Sergio

2010-05-01

Pre-Cambrian and unconformable earliest Cambrian rocks from the Sierra de la Demanda (N Spain) exhibit field and microstructural relationships that attest to orogenic events recorded by concealed basement rocks. Neoproterozoic foliated slates ("Anguiano Schists") crop out under up to 300 m thick, unfoliated quartz-rich conglomerates ("Anguiano Conglomerates") and quartzites which are stratigraphically ca. 600 m below the oldest, paleontologically dated, pre-trilobitic Cambrian layers (likely older than 520 Ma). The Anguiano Conglomerates contain mm to cm grainsized well-rounded pebbles of various types including monocrystalline quartz, detrital zircon and tourmaline-bearing sandstones, black cherts and metamorphic poly-crystalline quartz aggregates. The undeformed matrix is made of much smaller (diagenetically overgrown) monocrystaline quartz grains and minor amounts of accesory zircon, tourmaline and mica. Black chert pebbles exhibit microstructural evidence of brittle deformation (microfaults and thin veins of syntaxial fibrous quartz). These and the fine-grained sandstone pebbles can also exhibit ductile deformations (microfolds with thickened hinges and axial planar continuous foliations), too. Polycrystalline quartz pebbles exhibit a variety of microstructures that resulted from syn-metamorphic ductile deformations. These are recognisable under the petrographic microscope and include continuous foliations, quartz shape fabrics, various types of subgrain or recrystallized new grain microtextures, and lattice preferred orientations (LPOs). Conventional characterization of quartz fabrics (after oriented structural sections) is challenged in conglomerate pebble thin sections by the difficulty of unraveling in them the complete structural reference framework provided by foliation (whose trace can be unraveled) and lineation orientation (which cannot be directly identified). Quartz in various metamorphic polycrystalline pebbles was studied with the Electron Back-Scatter Diffraction (EBSD) technique. The identification of quartz c-axis point maxima or girdles and their geometrical relationships with respect to -axis arrangements and pebble foliation traces enabled us to identify the operation of basal and prism- and occasionally prism-[c] intracrystalline slip systems. This points to upper-greenschists and amphibolite facies syn-metamorphic deformations. By contrast, black chert and sandstone pebbles and matrix quartz aggregates lack any LPO. The source area of the conglomerates was likely a pre-Cambrian basement that contained penetratively deformed low- to medium-grade metamorphic rocks. Radiometric dating of this metamorphism has not been accomplished so far though it is known that inherited Precambrian sources in the Iberian Peninsula relate notably to Neoproterozoic (Pan-African and Cadomian) orogens, and to a lesser extent to Paleoproterozoic (1.8-2.1 Ga) or Neoarchean (2.4-2.8 Ga) ones. Neoproterozoic (Cadomian) metamorphism of this grade has only been recognized in SW Iberia. If the fabrics here studied were Cadomian, they might be related to the arc-related igneous suites that have been detected or inferred in other realms of the northern Iberian Massif.

Characterization of PZT Capacitor Structures with Various Electrode Materials Processed In-Situ Using AN Automated, Rotating Elemental Target, Ion Beam Deposition System

NASA Astrophysics Data System (ADS)

Gifford, Kenneth Douglas

Ferroelectric thin film capacitor structures containing lead zirconate titanate (PZT) as the dielectric, with the chemical formula Pb(rm Zr_{x }Ti_{1-x})O_3, were synthesized in-situ with an automated ion beam sputter deposition system. Platinum (Pt), conductive ruthenium oxide (RuO_2), and two types of Pt-RuO_2 hybrid electrodes were used as the electrode materials. The capacitor structures are characterized in terms of microstructure and electrical characteristics. Reduction or elimination of non-ferroelectric phases, that nucleate during PZT processing on Pt/TiO _2/MgO and RuO_2/MgO substrates, is achieved by reducing the thickness of the individually deposited layers and by interposing a buffer layer (~100-200A) of PbTiO _3 (PT) between the bottom electrode and the PZT film. Capacitor structures containing a Pt electrode exhibit poor fatigue resistance, irregardless of the PZT microstructure or the use of a PT buffer layer. From these results, and results from similar capacitors synthesized with sol-gel and laser ablation, PZT-based capacitor structures containing Pt electrodes are considered to be unsuitable for use in memory devices. Using a PT buffer layer, in capacitor structures containing RuO_2 top and bottom electrodes and polycrystalline, highly (101) oriented PZT, reduces or eliminates the nucleation of zirconium-titanium oxide, non-ferroelectric species at the bottom electrode interface during processing. This results in good fatigue resistance up to ~2times10^ {10} switching cycles. DC leakage current density vs. time measurements follow the Curie-von Schweidler law, J(t) ~ t^ {rm -n}. Identification of the high electric field current conduction mechanism is inconclusive. The good fatigue resistance, low dc leakage current, and excellent retention, qualifies the use of these capacitor structures in non-volatile random access (NVRAM) and dynamic random access (DRAM) memory devices. Excellent fatigue resistance (10% loss in remanent polarization up to ~2times10^ {10} switching cycles), low dc leakage current, and excellent retention are observed in capacitor structures containing polycrystalline PZT (exhibiting dominant (001) and (100) XRD reflections), a Pt-RuO_2 hybrid bottom electrode (Type IA), and an RuO _2 top electrode. These results, and electrical characterization results on capacitors containing co-deposited Pt-RuO_2 hybrid electrodes (Type II), show potential for application of these capacitor structures in NVRAM and DRAM memory devices.

Triphasic Tooling with Small Oriented Diamond Tip for Turning and Smoothing Lightweight Mirrors

NASA Technical Reports Server (NTRS)

Voronov, O. A.; Tompa, G. S.; Kear, B. H.; Veress, V.

2004-01-01

We are developing a new method for the growth of small diamond crystals at very high temperatures and pressures directly from a carbon melt. A prototype "Supercell" has been developed for this purpose. This system is capable of high rate crystal growth in relatively large working volumes. The resulting high quality diamond crystals will be incorporated into a triphasic diamond/titanium carbide/titanium composite tool, with an oriented diamond crystal at its tip. High pressure is needed to prevent degradation of diamond at high temperature, and to ensure the formation of a crack & composite structure. After grinding and polishing, the composite material will be joined to a steel holder, thus forming a diamond-tipped tool for turning and smoothing of a mirror surface. A properly oriented single-crystal diamond cuts and smoothes much better than a conventional polycrystalline diamond crystal. This is because the hardness depends on crystallographic orientation-the difference corresponds to 60-100 GPa on the Knoop scale. Our goal is to achieve surface roughness of about 1 nm, which will be accomplished by precision cutting and smoothing. The hardness of the functionally-graded diamond/titanium carbide/titanium composite tool varies from 100 GPa at its tip to 15 GPa at its base. Previous work has shown that the mass of machined material using an oriented-diamond tool is much larger than that for a standard diamond-metal composite tool.

Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition.

PubMed

Guillemin, Sophie; Parize, Romain; Carabetta, Joseph; Cantelli, Valentina; Albertini, David; Gautier, Brice; Brémond, Georges; Fong, Dillon D; Renevier, Hubert; Consonni, Vincent

2017-03-03

The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscale-engineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol-gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 10 7 nano-objects both on the macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscale-engineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.

Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition

NASA Astrophysics Data System (ADS)

Guillemin, Sophie; Parize, Romain; Carabetta, Joseph; Cantelli, Valentina; Albertini, David; Gautier, Brice; Brémond, Georges; Fong, Dillon D.; Renevier, Hubert; Consonni, Vincent

2017-03-01

The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscale-engineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol-gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 107 nano-objects both on the macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscale-engineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.

Implementing an empirical scalar constitutive relation for ice with flow-induced polycrystalline anisotropy in large-scale ice sheet models

NASA Astrophysics Data System (ADS)

Graham, Felicity S.; Morlighem, Mathieu; Warner, Roland C.; Treverrow, Adam

2018-03-01

The microstructure of polycrystalline ice evolves under prolonged deformation, leading to anisotropic patterns of crystal orientations. The response of this material to applied stresses is not adequately described by the ice flow relation most commonly used in large-scale ice sheet models - the Glen flow relation. We present a preliminary assessment of the implementation in the Ice Sheet System Model (ISSM) of a computationally efficient, empirical, scalar, constitutive relation which addresses the influence of the dynamically steady-state flow-compatible induced anisotropic crystal orientation patterns that develop when ice is subjected to the same stress regime for a prolonged period - sometimes termed tertiary flow. We call this the ESTAR flow relation. The effect on ice flow dynamics is investigated by comparing idealised simulations using ESTAR and Glen flow relations, where we include in the latter an overall flow enhancement factor. For an idealised embayed ice shelf, the Glen flow relation overestimates velocities by up to 17 % when using an enhancement factor equivalent to the maximum value prescribed in the ESTAR relation. Importantly, no single Glen enhancement factor can accurately capture the spatial variations in flow across the ice shelf generated by the ESTAR flow relation. For flow line studies of idealised grounded flow over varying topography or variable basal friction - both scenarios dominated at depth by bed-parallel shear - the differences between simulated velocities using ESTAR and Glen flow relations depend on the value of the enhancement factor used to calibrate the Glen flow relation. These results demonstrate the importance of describing the deformation of anisotropic ice in a physically realistic manner, and have implications for simulations of ice sheet evolution used to reconstruct paleo-ice sheet extent and predict future ice sheet contributions to sea level.

Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition

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

Guillemin, Sophie; Parize, Romain; Carabetta, Joseph

The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscaleengineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol–gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 107 nano-objects both on themore » macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscaleengineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.« less

Improvement of adhesion and barrier properties of biomedical stainless steel by deposition of YSZ coatings using RF magnetron sputtering

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

Sánchez-Hernández, Z.E.; CICATA—Altamira, IPN. Grupo CIAMS, Km 14.5, Carretera Tampico-Puerto Industrial Altamira, C. P. 89600, Altamira, Tamps, México; Domínguez-Crespo, M.A., E-mail: mdominguezc@ipn.mx

The AISI 316L stainless steel (SS) has been widely used in both artificial knee and hip joints in biomedical applications. In the present study, yttria stabilized zirconia (YSZ, ZrO{sub 2} + 8% Y{sub 2}O{sub 3}) films were deposited on AISI 316L SS by radio-frequency magnetron sputtering using different power densities (50–250 W) and deposition times (30–120 min) from a YSZ target. The crystallographic orientation and surface morphology were studied using X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The effects of the surface modification on the corrosion performance of AISI 316L SS were evaluated in phosphatemore » buffered saline (PBS) solution using an electrochemical test on both the virgin and coated samples. The YSZ coatings have a (111) preferred orientation during crystal growth along the c-axis for short deposition times (30–60 min), whereas a polycrystalline structure forms during deposition times from 90 to 120 min. The corrosion protective character of the YSZ coatings depends on the crystal size and film thickness. A significant increase in adhesion and corrosion resistance by at least a factor of 46 and a higher breakdown potential were obtained for the deposited coatings at 200 W (120 min). - Highlights: • Well-formed and protective YSZ coatings were achieved on AISI 316L SS substrates. • Films grown at high power and long deposition time have polycrystalline structures. • The crystal size varies from ∼ 5 to 30 nm as both power and deposition time increased. • The differences of corrosion resistance are attributed to internal film structure.« less

Breakdown of antiferromagnet order in polycrystalline NiFe/NiO bilayers probed with acoustic emission

NASA Astrophysics Data System (ADS)

Lebyodkin, M. A.; Lebedkina, T. A.; Shashkov, I. V.; Gornakov, V. S.

2017-07-01

Magnetization reversal of polycrystalline NiFe/NiO bilayers was investigated using magneto-optical indicator film imaging and acoustic emission techniques. Sporadic acoustic signals were detected in a constant magnetic field after the magnetization reversal. It is suggested that they are related to elastic waves excited by sharp shocks in the NiO layer with strong magnetostriction. Their probability depends on the history and number of repetitions of the field cycling, thus testifying the thermal-activation nature of the long-time relaxation of an antiferromagnetic order. These results provide evidence of spontaneous thermally activated switching of the antiferromagnetic order in NiO grains during magnetization reversal in ferromagnet/antiferromagnet (FM/AFM) heterostructures. The respective deformation modes are discussed in terms of the thermal fluctuation aftereffect in the Fulcomer and Charap model which predicts that irreversible breakdown of the original spin orientation can take place in some antiferromagnetic grains with disordered anisotropy axes during magnetization reversal of exchange-coupled FM/AFM structures. The spin reorientation in the saturated state may induce abrupt distortion of isolated metastable grains because of the NiO magnetostriction, leading to excitation of shock waves and formation of plate (or Lamb) waves.

A multi-scale model of dislocation plasticity in α-Fe: Incorporating temperature, strain rate and non-Schmid effects

DOE PAGES

Lim, H.; Hale, L. M.; Zimmerman, J. A.; ...

2015-01-05

In this study, we develop an atomistically informed crystal plasticity finite element (CP-FE) model for body-centered-cubic (BCC) α-Fe that incorporates non-Schmid stress dependent slip with temperature and strain rate effects. Based on recent insights obtained from atomistic simulations, we propose a new constitutive model that combines a generalized non-Schmid yield law with aspects from a line tension (LT) model for describing activation enthalpy required for the motion of dislocation kinks. Atomistic calculations are conducted to quantify the non-Schmid effects while both experimental data and atomistic simulations are used to assess the temperature and strain rate effects. The parameterized constitutive equationmore » is implemented into a BCC CP-FE model to simulate plastic deformation of single and polycrystalline Fe which is compared with experimental data from the literature. This direct comparison demonstrates that the atomistically informed model accurately captures the effects of crystal orientation, temperature and strain rate on the flow behavior of siangle crystal Fe. Furthermore, our proposed CP-FE model exhibits temperature and strain rate dependent flow and yield surfaces in polycrystalline Fe that deviate from conventional CP-FE models based on Schmid's law.« less

Optimal angle of polycrystalline silicon solar panels placed in a building using the ant colony optimization algorithm

NASA Astrophysics Data System (ADS)

Saouane, I.; Chaker, A.; Zaidi, B.; Shekhar, C.

2017-03-01

This paper describes the mathematical model used to determine the amount of solar radiation received on an inclined solar photovoltaic panel. The optimum slope angles for each month, season, and year have also been calculated for a solar photovoltaic panel. The optimization of the procedure to maximize the solar energy collected by the solar panel by varying the tilt angle is also presented. As a first step, the global solar radiation on the horizontal surface of a thermal photovoltaic panel during clear sky is estimated. Thereafter, the Muneer model, which provides the most accurate estimation of the total solar radiation at a given geographical point has been used to determine the optimum collector slope. Also, the Ant Colony Optimization (ACO) algorithm was applied to obtain the optimum tilt angle settings for PV collector to improve the PV collector efficiency. The results show good agreement between calculated and predicted results. Additionally, this paper presents studies carried out on the polycrystalline silicon solar panels for electrical energy generation in the city of Ghardaia. The electrical energy generation has been studied as a function of amount of irradiation received and the angle of optimum orientation of the solar panels.

Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

DOE PAGES

Usher, Tedi -Marie; Levin, Igor; Daniels, John E.; ...

2015-10-01

In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO 3 andmore » Na ½Bi ½TiO 3, and dielectric SrTiO 3. For Na ½Bi ½TiO 3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO 3 and SrTiO 3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.« less

Polycrystalline methane hydrate: Synthesis from superheated ice, and low-temperature mechanical properties

USGS Publications Warehouse

Stern, L.A.; Kirby, S.H.; Durham, W.B.

1998-01-01

We describe a new and efficient technique to grow aggregates of pure methane hydrate in quantities suitable for physical and material properties testing. Test specimens were grown under static conditions by combining cold, pressurized CH4 gas with granulated H2O ice, and then warming the reactants to promote the reaction CH4(g) + 6H2O(s???1) ??? CH4??6H2O (methane hydrate). Hydrate formation evidently occurs at the nascent ice/liquid water interface on ice grain surfaces, and complete reaction was achieved by warming the system above the ice melting point and up to 290 K, at 25-30 MPa, for approximately 8 h. The resulting material is pure, cohesive, polycrystalline methane hydrate with controlled grain size and random orientation. Synthesis conditions placed the H2O ice well above its melting temperature while reaction progressed, yet samples and run records showed no evidence for bulk melting of the unreacted portions of ice grains. Control experiments using Ne, a non-hydrate-forming gas, showed that under otherwise identical conditions, the pressure reduction and latent heat associated with ice melting are easily detectable in our fabrication apparatus. These results suggest that under hydrate-forming conditions, H2O ice can persist metastably to temperatures well above its ordinary melting point while reacting to form hydrate. Direct observations of the hydrate growth process in a small, high-pressure optical cell verified these conclusions and revealed additional details of the hydrate growth process. Methane hydrate samples were then tested in constant-strain-rate deformation experiments at T = 140-200 K, Pc = 50-100 MPa, and ?? = 10-4 10-6 s-1. Measurements in both the brittle and ductile fields showed that methane hydrate has measurably different strength than H2O ice, and work hardens to an unusually high degree compared to other ices as well as to most metals and ceramics at high homologous temperatures. This work hardening may be related to a changing stoichiometry under pressure during plastic deformation; X-ray analyses showed that methane hydrate undergoes a process of solid-state disproportionation or exsolution during deformation at conditions well within its conventional stability field.

Fabrication of Ti substrate grain dependent C/TiO2 composites through carbothermal treatment of anodic TiO2.

PubMed

Rüdiger, Celine; Favaro, Marco; Valero-Vidal, Carlos; Calvillo, Laura; Bozzolo, Nathalie; Jacomet, Suzanne; Hejny, Clivia; Gregoratti, Luca; Amati, Matteo; Agnoli, Stefano; Granozzi, Gaetano; Kunze-Liebhäuser, Julia

2016-04-07

Composite materials of titania and graphitic carbon, and their optimized synthesis are highly interesting for application in sustainable energy conversion and storage. We report on planar C/TiO2 composite films that are prepared on a polycrystalline titanium substrate by carbothermal treatment of compact anodic TiO2 with acetylene. This thin film material allows for the study of functional properties of C/TiO2 as a function of chemical composition and structure. The chemical and structural properties of the composite on top of individual Ti substrate grains are examined by scanning photoelectron microscopy and micro-Raman spectroscopy. Through comparison of these data with electron backscatter diffraction, it is found that the amount of generated carbon and the grade of anodic film crystallinity correlate with the crystallographic orientation of the Ti substrate grains. On top of Ti grains with ∼(0001) orientations the anodic TiO2 exhibits the highest grade of crystallinity, and the composite contains the highest fraction of graphitic carbon compared to Ti grains with other orientations. This indirect effect of the Ti substrate grain orientation yields new insights into the activity of TiO2 towards the decomposition of carbon precursors.

Geometric Modeling of Inclusions as Ellipsoids

NASA Technical Reports Server (NTRS)

Bonacuse, Peter J.

2008-01-01

Nonmetallic inclusions in gas turbine disk alloys can have a significant detrimental impact on fatigue life. Because large inclusions that lead to anomalously low lives occur infrequently, probabilistic approaches can be utilized to avoid the excessively conservative assumption of lifing to a large inclusion in a high stress location. A prerequisite to modeling the impact of inclusions on the fatigue life distribution is a characterization of the inclusion occurrence rate and size distribution. To help facilitate this process, a geometric simulation of the inclusions was devised. To make the simulation problem tractable, the irregularly sized and shaped inclusions were modeled as arbitrarily oriented, three independent dimensioned, ellipsoids. Random orientation of the ellipsoid is accomplished through a series of three orthogonal rotations of axes. In this report, a set of mathematical models for the following parameters are described: the intercepted area of a randomly sectioned ellipsoid, the dimensions and orientation of the intercepted ellipse, the area of a randomly oriented sectioned ellipse, the depth and width of a randomly oriented sectioned ellipse, and the projected area of a randomly oriented ellipsoid. These parameters are necessary to determine an inclusion s potential to develop a propagating fatigue crack. Without these mathematical models, computationally expensive search algorithms would be required to compute these parameters.

Elasticity of stishovite at high pressure

NASA Astrophysics Data System (ADS)

Li, Baosheng; Rigden, Sally M.; Liebermann, Robert C.

1996-08-01

The elastic-wave velocities of stishovite, the rutile-structured polymorph of SiO 2, were measured to 3 GPa at room temperature in a piston cylinder apparatus using ultrasonic interferometry on polycrystalline samples. These polycrystalline samples (2-3 mm in length and diameter) were hot-pressed at 14 GPa and 1050°C in a 2000 ton uniaxial split-sphere apparatus (USSA-2000) using fused silica rods as starting material. They were characterized as low porosity (less than 1%), single phase, fine grained, free of cracks and preferred orientation, and acoustically isotropic by using density measurement, X-ray diffraction, scanning electron microscopy, and bench-top velocity measurements. On the basis of subsequent in situ X-ray diffraction study at high P and T on peak broadening on similar specimens, it is evident that the single crystal grains within these polycrystalline aggregates are well equilibrated and that these specimens are free of residual strain. P- and S-wave velocities measured at 1 atm are within 1.5% of the Hashin-Shtrikman bounds calculated from single-crystal elastic moduli. Measured pressure derivatives of the bulk and shear moduli, K' 0 = 5.3 ± 0.1 and G' 0 = 1.8 ± 0.1, are not unusual compared with values measured for other transition zone phases such as silicate spinel and majorite garnet. Isothermal compression curves calculated with the measured values of K0 and K' 0 agree well with experimental P-V data to 16 GPa. The experimental value of dG /dP is in excellent agreement with predictions based on elasticity systematics. Theoretical models are not yet able to replicate the measured values of K' 0 and G' 0.

Effects of the two-gap nature on the microwave conductivity of polycrystalline Mg B2 films with a critical temperature of 39 K

NASA Astrophysics Data System (ADS)

Lee, Sang Young; Lee, J. H.; Han, Jung Hoon; Moon, S. H.; Lee, H. N.; Booth, James C.; Claassen, J. H.

2005-03-01

The surface resistance (RS) and the real part (σ1) of the microwave complex conductivity of a ˜380-nm -thick polycrystalline MgB2 film with the critical temperature (TC) of 39.3K were investigated at frequency ˜8.5GHz as a function of temperature. Two distinct coherence peaks were observed in the σ1 vs temperature curve at Ttilde 0.5TC and ˜0.9TC , respectively, providing a direct evidence for the two-gap nature of MgB2 . The film is shown to have a π -band gap energy of ˜1.7meV . For the MgB2 film ion milled down to the thickness of ˜320nm , two coherence peaks were still observable with the first conductivity peak at ˜0.6TC . The inferred π -band gap energy of ˜2.0meV is higher than before ion milling. Reduced normal-state conductivity at TC and RS at temperatures below 15K were found for the ion-milled film. Calculations based on the weak-coupling BCS theory and the strong coupling theory suggest that both σ and π bands contribute to σ1 of the polycrystalline MgB2 films significantly. Our results are in contrast with the observation of single coherence peak, ascribed to the dominant role of the π band, in the microwave conductivity of c -axis-oriented MgB2 films reported by Jin [Phys. Rev. Lett. 91, 127006 (2003)]. Variations in the interband coupling constants with the level of disorder can account for the different TC and σ1 behavior of the as-grown and ion-milled films.

Laser-induced amorphization of silicon during pulsed-laser irradiation of TiN/Ti/polycrystalline silicon/SiO2/silicon

NASA Astrophysics Data System (ADS)

Chong, Y. F.; Pey, K. L.; Wee, A. T. S.; Thompson, M. O.; Tung, C. H.; See, A.

2002-11-01

In this letter, we report on the complex solidification structures formed during laser irradiation of a titanium nitride/titanium/polycrystalline silicon/silicon dioxide/silicon film stack. Due to enhanced optical coupling, the titanium nitride/titanium capping layer increases the melt depth of polycrystalline silicon by more than a factor of 2. It is found that the titanium atoms diffuse through the entire polycrystalline silicon layer during irradiation. Contrary to the expected polycrystalline silicon growth, distinct regions of polycrystalline and amorphous silicon are formed instead. Possible mechanisms for the formation of these microstructures are proposed.

Process for utilizing low-cost graphite substrates for polycrystalline solar cells

NASA Technical Reports Server (NTRS)

Chu, T. L. (Inventor)

1978-01-01

Low cost polycrystalline silicon solar cells supported on substrates were prepared by depositing successive layers of polycrystalline silicon containing appropriate dopants over supporting substrates of a member selected from the group consisting of metallurgical grade polycrystalline silicon, graphite and steel coated with a diffusion barrier of silica, borosilicate, phosphosilicate, or mixtures thereof such that p-n junction devices were formed which effectively convert solar energy to electrical energy. To improve the conversion efficiency of the polycrystalline silicon solar cells, the crystallite size in the silicon was substantially increased by melting and solidifying a base layer of polycrystalline silicon before depositing the layers which form the p-n junction.

Intragranular Recrystallization and Lattice Reorientation of Calcite Grains in Experimentally Deformed Crinoids and Trilobites

NASA Astrophysics Data System (ADS)

Kim, N.; Takahashi, M.; Shigematsu, N.; Ree, J. H.; Jung, H.

2017-12-01

Intragranular recrystallization, including subgrain-rotation-recrystallization (SGR) and nucleation (and growth) of new grains along boundaries of deformation twins and bands, is an important process leading to grain-size reduction and causing rheological change depending on deformation condition. Despite of its importance, the detailed processes of intragranular recrystallization are still somewhat unclear. We deformed a limestone using triaxial testing machine at AIST of Japan at temperature of 500 700 °, strain rate of 10-4 10-5 s-1, confining pressure of 200 MPa and strain of up to 30%, to explore intragranular recrystallization processes of calcite. The limestone contains two abundant fossils, crinoid and trilobite. The crinoids are mono- or poly-crystalline. We focus on the monocrystalline crinoids with a coarser grain size ( 700 μm). The trilobites are polycrystalline and much finer-grained ( 7 μm) with initially a strong c-axis preferred orientation. At a lower temperature condition, subgrains develop both in twin and host domains of crinoids and evolve into new grains by SGR. At a higher temperature, recrystallized grains have irregular grain boundaries and bimodal grain-size distribution, implying grain-boundary migration (GBM) recrystallization. At a lower temperature, new grains nucleating and growing along twin boundaries inherit lattice orientation of twin domain, and with the nucleation site and usually a smaller grain size, they can be distinguished from new grains by SGR. At a higher temperature, however, the distinction is difficult at present due to extensive GBM. For the trilobites, there is only local GBM with no significant change in grain size, and flattening of grains reflects the bulk strain at a lower temperature. At a higher temperature, individual grains of the trilobites are equi-axed with weakened LPO, although the strain of trilobites is higher than bulk strain. These microfabrics suggest that the dominant deformation mechanism of the trilobites is diffusion creep. Although the initial LPO of the trilobites is weakened, the LPO is still preserved up to strain of 30%. This implies that even if the grain size of trilobites and matrix is similar in naturally deformed limestones, the lattice orientation map may be useful in recognizing trilobite fossils.

Three Distinct Deformation Behaviors of Cementite Lamellae in a Cold-Drawn Pearlitic Wire

NASA Astrophysics Data System (ADS)

Xin, Tuo; Liu, Guiju; Liang, Wenshuang; Cai, Rongsheng; Feng, Honglei; Li, Chen; Li, Jian; Wang, Yiqian

2018-03-01

High-resolution transmission electron microscopy is used to investigate the deformation behaviors of cementite lamellae in the heavily cold-drawn piano wires. Three distinct morphologies of cementite are observed, namely, complete lamella, partly-broken lamella and nearly-disappeared lamella. For the complete cementite lamella, it remains a single-crystalline structure. For the partly-broken cementite lamella, polycrystalline structure and neck-down region appear to release the residual strain. The lattice expansion of ferrite takes place in two perpendicular directions indicating that the carbon atoms dissolve from cementite into ferrite lattices. An orientation relationship is found between ferrite and cementite phases in the cold-drawn pearlitic wire.

Structural and electrical properties of sputter deposited ZnO thin films

NASA Astrophysics Data System (ADS)

Muhammed Shameem P., V.; Mekala, Laxman; Kumar, M. Senthil

2018-05-01

The growth of zinc oxide thin films having different oxygen content was achieved at ambient temperature by reactive dc magnetron sputtering technique and their structural and electrical properties are studied. The structural studies show that the films are polycrystalline with a preferential orientation of the grains along the c-axis [002], which increases with increase in oxygen partial pressure. The grain size and the surface roughness of the zinc oxide films are found to decrease with increasing oxygen partial pressure. It is observed that the resistivity of the zinc oxide films can be tuned from semiconducting to insulating regime by varying the oxygen content.

In situ neutron diffraction study of micromechanical interactions and phase transformation in Ni-Mn-Ga alloy under uniaxial and hydrostatic stress.

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

Peng, R. L.; Wang, Y. D.; Nie, Z. H.

2008-01-01

This paper deals with the experimental study of stress-induced phase transformation in a polycrystalline Ni-Mn-Ga alloy under uniaxial compression and its powder under hydrostatic compression. In situ neutron diffraction experiments were employed to follow changes in the structure and lattice strains caused by the applied stresses. Large lattice strains that are dependent on the lattice planes or grain orientations were observed in the parent Heusler phase for both the bulk material and the powder sample. The development of such anisotropic strains and the influence of external load conditions are discussed in the paper.

Structural control of In2Se3 polycrystalline thin films by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Okamoto, T.; Nakada, Y.; Aoki, T.; Takaba, Y.; Yamada, A.; Konagai, M.

2006-09-01

Structural control of In2Se3 polycrystalline thin films was attempted by molecular beam epitaxy (MBE) technique. In2Se3 polycrystalline films were obtained on glass substrates at substrate temperatures above 400 °C. VI/III ratio greatly affected crystal structure of In2Se3 polycrystalline films. Mixtures of -In2Se3 and γ-In2Se3 were obtained at VI/III ratios greater than 20, and layered InSe polycrystalline films were formed at VI/III ratios below 1. γ-In2Se3 polycrystalline thin films without α-phase were successfully deposited with VI/III ratios in a range of 2 to 4. Photocurrent spectra of the γ-In2Se3 polycrystalline films showed an abrupt increase at approximately 1.9 eV, which almost corresponds with the reported bandgap of γ-In2Se3. Dark conductivity and photoconductivity measured under solar simulator light (AM 1.5, 100 mW/cm2) were approximately 10-9 and 10-5 S/cm in the γ-In2Se3 polycrystalline thin films, respectively.

Low-temperature plasma-enhanced atomic layer deposition of 2-D MoS2: large area, thickness control and tuneable morphology.

PubMed

Sharma, Akhil; Verheijen, Marcel A; Wu, Longfei; Karwal, Saurabh; Vandalon, Vincent; Knoops, Harm C M; Sundaram, Ravi S; Hofmann, Jan P; Kessels, W M M Erwin; Bol, Ageeth A

2018-05-10

Low-temperature controllable synthesis of monolayer-to-multilayer thick MoS2 with tuneable morphology is demonstrated by using plasma enhanced atomic layer deposition (PEALD). The characteristic self-limiting ALD growth with a growth-per-cycle of 0.1 nm per cycle and digital thickness control down to a monolayer are observed with excellent wafer scale uniformity. The as-deposited films are found to be polycrystalline in nature showing the signature Raman and photoluminescence signals for the mono-to-few layered regime. Furthermore, a transformation in film morphology from in-plane to out-of-plane orientation of the 2-dimensional layers as a function of growth temperature is observed. An extensive study based on high-resolution transmission electron microscopy is presented to unravel the nucleation mechanism of MoS2 on SiO2/Si substrates at 450 °C. In addition, a model elucidating the film morphology transformation (at 450 °C) is hypothesized. Finally, the out-of-plane oriented films are demonstrated to outperform the in-plane oriented films in the hydrogen evolution reaction for water splitting applications.

Growth and characterization of GaAs/Al/GaAs heterostructures

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

Bhattacharya, P.; Oh, J.E.; Singh, J.

Theoretical and experimental aspects of the growth of GaAs/Al/GaAs heterostructures have been investigated. In these heterostructures the GaAs on top of the buried metal layer is grown by migration-enhanced epitaxy (MEE) at low temperatures (200 and 400 {degree}C) to provide a kinetic barrier to the outdiffusion of Al during superlayer growth. The crystallinity and orientation of the Al film itself deposited on (100) GaAs at {approx}0 {degree}C was studied by transmission electron diffraction, dark-field imaging, and x-ray diffraction measurements. It is found that the Al growth is polycrystalline with a grain size {approx}60 A and the preferred growth orientation ismore » (111), which may be textured in plane but oriented out of plane. The quality of the GaAs superlayer grown on top of Al by MEE is very sensitive to the growth temperature. The layer grown at 400 {degree}C has good structural and optical quality, but is accompanied by considerable outdiffusion of Al at the Al-GaAs heterointerface. At 200 {degree}C, where the interface has good structural integrity, the superlayer exhibits twinning and no luminescence is observed.« less

Thickness effects on the texture development of fluorine-doped SnO2 thin films: The role of surface and strain energy

NASA Astrophysics Data System (ADS)

Consonni, V.; Rey, G.; Roussel, H.; Bellet, D.

2012-02-01

Polycrystalline fluorine-doped SnO2 thin films have been grown by ultrasonic spray pyrolysis with a thickness varying in the range of 40 to 600 nm. A texture transition from ⟨110⟩ to ⟨100⟩ and ⟨301⟩ crystallographic orientations has experimentally been shown by x-ray diffraction measurements as film thickness is increased, showing that a process of abnormal grain growth has occurred. The texture effects are considered within a thermodynamic approach, in which the minimization of total free energy constitutes the driving force for grain growth. For very small film thickness, it is found that the ⟨110⟩ preferred orientation is due to surface energy minimization, as the (110) planes have the lowest surface energy in the rutile structure. In contrast, as film thickness is increased, the ⟨100⟩ and ⟨301⟩ crystallographic orientations are progressively predominant, owing to elastic strain energy minimization in which the anisotropic character is considered in the elastic biaxial modulus. A texture map is eventually determined, revealing the expected texture as a function of elastic strain and film thickness.

Crystal orientation, crystallinity, and thermoelectric properties of Bi0.9Sr0.1CuSeO epitaxial films grown by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Ishizawa, Mamoru; Fujishiro, Hiroyuki; Naito, Tomoyuki; Ito, Akihiko; Goto, Takashi

2018-02-01

We have grown Bi0.9Sr0.1CuSeO epitaxial thin films on MgO and SrTiO3 (STO) single-crystal substrates by pulsed laser deposition (PLD) under various growth conditions, and investigated the crystal orientation, crystallinity, chemical composition, and thermoelectric properties of the films. The optimization of the growth conditions was realized in the film grown on MgO at the temperature T s = 573 K and Ar pressure P Ar = 0.01 Torr in this study, in which there was no misalignment apart from the c-axis and no impurity phase. It was clearly found that the higher crystal orientation of the epitaxial film grown at a higher temperature under a lower Ar pressure mainly enhanced the thermoelectric power factor P (= S 2/ρ), where S is the Seebeck coefficient and ρ is the electrical resistivity. However, the thermoelectric properties of the films were lower than those of polycrystalline bulk because of lattice distortion from lattice mismatch, a low crystallinity caused by a lower T s, and Bi and Cu deficiencies in the films.

Influence of Grain Structure and Doping on the Deformation and Fracture of Polycrystalline Silicon for MEMS and NEMS

DTIC Science & Technology

2012-09-03

described in previous reports [32]. In this experimental technique, the specimen ends are gripped to loadcell and PZT actuator mounted on three dimensional...shown in Figure 3. This was due to the random distribution of columnar grains with different texture where KIC was dependent on one particular grain...Engineering: A, 268 (1-2), pp. 116-126, 1999 [19] C.P. Chen, and M.H. Leipold, "Fracture toughness of silicon", American Ceramics Society Bulletin

Nonadiabatic Berry phase in nanocrystalline magnets

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

Skomski, R.; Sellmyer, D. J.

2016-12-20

In this study, it is investigated how a Berry phase is created in polycrystalline nanomagnets and how the phase translates into an emergent magnetic field and into a topological Hall-effect contribution. The analysis starts directly from the spin of the conduction electrons and does not involve any adiabatic Hamiltonian. Completely random spin alignment in the nanocrystallites does not lead to a nonzero emergent field, but a modulation of the local magnetization does. As an explicit example, we consider a wire with a modulated cone angle.

Preserved anatectic melt in ultrahigh-temperature (or high pressure?) felsic granulites, Connecticut, US

NASA Astrophysics Data System (ADS)

Ferrero, Silvio; Axler, Jennifer; Ague, Jay J.; Wunder, Bernd; Ziemann, Martin A.

2017-04-01

Polycrystalline inclusions occur in felsic granulites from northeastern Connecticut, US (Axler and Ague, 2015). They sit in the core of garnet porphyroblasts formed during peak metamorphism at T >1000°C and P >1 GPa. The investigated inclusions vary from needle-shaped, with length ≤50 microns and few microns across, to isometric with diameter ≤10 microns. They show a rather constant assemblage which includes quartz, phlogopite, biotite and very often a compositionally variable phase. Raman spectroscopy shows the occasional presence of glass and cristobalite (the latter only when quartz is absent). Crystallized phases and the presence of glass suggest that these inclusions formed originally as droplets of melt trapped during garnet growth, likely as result of partial melting of the original metasedimentary protolith. A prominent feature of the garnet is the presence of rutile needles and ilmenite oriented accordingly to the crystallographic planes of garnet. When elongated in shape, also the polycrystalline inclusions are generally oriented according to the same planes, and occasionally contain rutile and /or ilmenite occur as trapped phases. Re-heating experiments were performed on the polycrystalline inclusions using a piston cylinder apparatus and without adding water to the experimental capsules. Complete re-homogenization was achieved at T 1025-1050°C and P 1.7 GPa, confirming that these inclusions are nanogranites (Ferrero et al., 2015). Re-homogenized inclusions contain a peraluminous glass (ASI=1.36) with ≤6 wt% water, confirmed also via Raman spectroscopy. Its average composition is granitic, with K/Na= 4.37 and rather high FeO (3.70 wt%). Both K-rich character and FeO content are consistent with experimental melts generated at T of 900-1000°C and variable P via melting of metasediments. The investigation of the experimental products furthermore provides novel constraints for the peak conditions (and likely of anatexis) of these granulites. During experiments performed at T 1025-1050°C and P <1.7 GPa melt and garnet interacts forming a new garnet with different composition, thus indicating lack of equilibrium between melt and garnet. Such microstructure is absent in the experiment at P ≥1.7 GPa, suggesting that such P values correspond to the conditions of melting with the simultaneous production of melt and garnet. Such values are more consistent with the water content of re-homogenized inclusions, rather high for melts formed at T>1000°C. Such pressures are remarkably higher than those previously proposed for these rocks, and suggest that they experienced indeed high pressure rather than ultrahigh temperature conditions, a possibility also supported by the widespread presence of pseudomorphs of sillimanite after kyanite. References Axler JA, Ague JJ (2015). Oriented multiphase needles in garnet from ultrahigh-temperature granulites. American Mineralogist, 100, 2254-2271. Ferrero S, Wunder B, Walczak K, Ziemann MA, O'Brien PJ (2015). Preserved near ultrahigh-pressure melt from continental crust subducted to mantle depths. Geology, 43, 447-450.

Processing and Characterization of Nickel-Manganese-Gallium Shape-Memory Fibers and Foams

NASA Astrophysics Data System (ADS)

Zheng, Peiqi-Paige

Ferromagnetic Ni-Mn-Ga shape memory alloys with large magnetic field-induced strains are promising candidates for actuators. Magnetic shape memory alloys display magnetic-field-induced strain (MFIS) of up to 10%, as single crystals. Polycrystalline materials are much easier to create but display a near-zero MFIS because twinning of neighboring grains introduces strain incompatibility leading to high internal stresses. Pores reduce these incompatibilities between grains and thus increase the MFIS of polycrystalline Ni-Mn-Ga which after training (thermo-magneto-mechanical cycling) exhibits MFIS as high as 8.7%. In this thesis, a systematic study of the effect of porosity on the magneto-mechanical properties of polycrystalline Ni-Mn-Ga foams is presented. The MFIS increased with increasing porosity, demonstrating that removal of constraints by addition of porosity is responsible for the high MFIS in polycrystalline foams. Ni-Mn-Ga foams with 57 volume percent of 355-500 micrometers open pores, with and without directional solidification were cast replicated. One directional solidified foam specimen showed a maximum magnetic-field induced strain of 0.65%, which is twice the value displayed by other foam specimens without directional solidification. This improvement is consistent with a reduction of incompatibility stresses under magnetic field from the reduced crystallographic misorientation between neighboring grains. Polycrystalline Ni-Mn-Ga foam displays ˜1% MFIS after the hermo-magnetic training. To show this effect in this highly textured sample, neutron diffraction texture measurements were conducted with a magnetic field applied at various orientations to the sample, demonstrating that selection of martensite variants takes place during cooling. Oligocrystalline Ni-Mn-Ga foams with an open porosity of 63.5?0.7% were created by a sintering replication process using NaCl space-holders. The high surface/volume ratio and mechanical stability under cyclic strain makes polycrystalline Ni-Mn-Ga metallic foams attractive for magnetic refrigeration. Compared to a polycrystalline bulk material, open-cells Ni-Mn-Ga foams shows a reduction in the temperature span of the phase transition and an increase in the magnetocaloric effect (MCE). Ni-Mn-Ga wires with sub-millimeter diameter, either as individual wires or as part of a 2D/3D wire assemblies, are promising candidates for actuators, sensors, magnetic cooling systems and energy harvesting devices. Here, we report the mechanical behavior of oligocrystalline Ni-Mn-Ga Taylor wires by tensile tests at room temperature. Magnetic-field induced shape recovery is demonstrated at 0°C in a martensitic Ni-Mn-Ga microwire, where a mechanically-produced 120° bend is recovered near fully within a magnetic field produced by permanent magnets. Tubes of the ferromagnetic shape-memory alloy Ni-Mn-Ga of composition near the Ni2MnGa Heusler phase can be used, alone or combined in structures, in magnetic actuators or magnetic refrigerators. However, fabrication of Ni-Mn-Ga tubes with sub-millimeter diameter by classical cold or hot drawing methods is hampered by the brittleness of the alloy. Here, we demonstrate a new process, where Ni-Mn-Ga tubes are fabricated by interdiffusion of Mn and Ga into drawn, ductile Ni tubes with 500 and 760 micrometers inner and outer diameters.

Snow Crystal Orientation Effects on the Scattering of Passive Microwave Radiation

NASA Technical Reports Server (NTRS)

Foster, J. L.; Barton, J. S.; Chang, A. T. C.; Hall, D. K.

1999-01-01

For this study, consideration is given to the role crystal orientation plays in scattering and absorbing microwave radiation. A discrete dipole scattering model is used to measure the passive microwave radiation, at two polarizations (horizontal and vertical), scattered by snow crystals oriented in random and non random positions, having various sizes (ranging between 1 micrometers to 10,000 micrometers in radius), and shapes (including spheroids, cylinders, hexagons). The model results demonstrate that for the crystal sizes typically found in a snowpack, crystal orientation is insignificant compared to crystal size in terms of scattering microwave energy in the 8,100 gm (37 GHz) region of the spectrum. Therefore, the assumption used in radiative transfer approaches, where snow crystals are modeled as randomly oriented spheres, is adequate to account for the transfer of microwave energy emanating from the ground and passing through a snowpack.

Comparison of silicon, nickel, and nickel silicide (Ni 3Si) as substrates for epitaxial diamond growth

NASA Astrophysics Data System (ADS)

Tucker, D. A.; Seo, D.-K.; Whangbo, M.-H.; Sivazlian, F. R.; Stoner, B. R.; Bozeman, S. P.; Sowers, A. T.; Nemanich, R. J.; Glass, J. T.

1995-07-01

We carried out experimental and theoretical studies aimed at probing interface interactions of diamond with Si, Ni, and Ni 3Si substrates. Oriented diamond films deposited on (100) silicon were characterized by polar Raman, polar XRD, and cross-sectional HRTEM. These studies show that the diamond-(100)/Si(100) interface does not adopt the 45°-rotation but the 3 : 2-match arrangement. Our extended Hückel tight-binding (EHTB) electronic structure calculations for a model system show that the interface interaction favors the 3 : 2-match arrangement. Growth on polycrystalline Ni 3Si resulted in oriented diamond particles while, under the same growth conditions, largely graphite was formed on the nickel substrate. Our EHTB electronic structure calculations for model systems show that the (111) and (100) surfaces of Ni 3Si have a strong preference for diamond-nucleation over graphite-nucleation, but this is not the case for the (111) and (100) surfaces of Ni.

Solution processed nanogap organic diodes based on liquid crystalline materials

NASA Astrophysics Data System (ADS)

Wang, Yi-Fei; Iino, Hiroaki; Hanna, Jun-ichi

2017-09-01

Co-planar nanogap organic diodes were fabricated with smectic liquid crystalline materials of the benzothienobenzothiophene (BTBT) derivative by a spin-coating technique. A high rectification ratio of the order of 106 at ±3 V was achieved when a liquid crystalline material of 2,7-didecyl benzothieno[3,2-b][1]benzothiophene (10-BTBT-10) was used in a device configuration of Al/10-BTBT-10/pentafluorobenzenethiol-treated Au on a glass substrate, which was 4 orders higher than that of the device based on non-liquid crystalline materials of 2,7-dibutyl benzothieno[3,2-b][1]benzothiophene (4-BTBT-4) and BTBT. Similar results were also observed when another liquid crystalline material of ω, ω'-dioctylterthiophene (8-TTP-8) and a non-liquid crystalline material of terthiophene (TTP) were used. These improved rectifications can be ascribed to the self-assembly properties and controllable molecular orientation of liquid crystalline materials, which made uniform perpendicular oriented polycrystalline films favorable for superior charge transport in nano-channels.

Magnetostrictive and mechanical properties of Terfenol-D composites based on polymer

NASA Astrophysics Data System (ADS)

Rodríguez, C.; Cuevas, J. M.; Orue, I.; Vilas, J. L.; Barandiarán, J. M.; Fernandez-Gubieda, M. L.; Leon, L. M.

2007-07-01

Several composites, with outstanding magnetostrictive properties, have been synthesized combining a polyurethane base elastomer, with polycrystalline powders of Terfenol-D with a preferential orientation obtained by curing the material in a magnetic field. The morphology of the polymer matrix can be modified by changing the ratio of the hard /soft segment (F) of the polyurethane from 0.6 to 1.5. The influence of the morphology in the magnetostrictive response, for different composites, has been studied by following the storage modulus, E', in DMTA analysis. The magnetostrictive response has been studied as a function of Terfenol-D particle size and distribution (0-300, 212-300, 106-212, 0-38 μm), as well as a function of the content of the magnetostrictive particles in the composite. The highest response (about 1390 ppm) was obtained for a F=1.5 polyurethane and 50% wt of Terfenol-D of 212-300 μm particle size, oriented with a magnetic field of 0.5 T.

Reconstruction of 3d grain boundaries from rock thin sections, using polarised light

NASA Astrophysics Data System (ADS)

Markus Hammes, Daniel; Peternell, Mark

2016-04-01

Grain boundaries affect the physical and chemical properties of polycrystalline materials significantly by initiating reactions and collecting impurities (Birchenall, 1959), and play an essential role in recrystallization (Doherty et al. 1997). In particular, the shape and crystallographic orientation of grain boundaries reveal the deformation and annealing history of rocks (Kruhl and Peternell 2002, Kuntcheva et al. 2006). However, there is a lack of non-destructive and easy-to-use computer supported methods to determine grain boundary geometries in 3D. The only available instrument using optical light to measure grain boundary angles is still the polarising microscope with attached universal stage; operated manually and time-consuming in use. Here we present a new approach to determine 3d grain boundary orientations from 2D rock thin sections. The data is recorded by using an automatic fabric analyser microscope (Peternell et al., 2010). Due to its unique arrangement of 9 light directions the highest birefringence colour due to each light direction and crystal orientation (retardation) can be determined at each pixel in the field of view. Retardation profiles across grain boundaries enable the calculation of grain boundary angle and direction. The data for all positions separating the grains are combined and further processed. In combination with the lateral position of the grain boundary, acquired using the FAME software (Hammes and Peternell, in review), the data is used to reconstruct a 3d grain boundary model. The processing of data is almost fully automatic by using MATLAB®. Only minor manual input is required. The applicability was demonstrated on quartzite samples, but the method is not solely restricted on quartz grains and other birefringent polycrystalline materials could be used instead. References: Birchenall, C.E., 1959: Physical Metallurgy. McGraw-Hill, New York. Doherty, R.D., Hughes, D.A., Humphreys, F.J., Jonas, J.J., Juul Jensen, D., Kassner, M.E., King, W.E., McNelley, T.R., McQueen, H.J., Rollett, A.D., 1997: Current issues in recrystallization: a review. Materials Science and Engineering A 238, 219-274. Hammes, D.M., Peternell, M., in review. FAME: Software for analysing rock microstructures. Computers & Geoscience. Kruhl, J.H., Peternell, M., 2002. The equilibration of high-angle grain boundaries in dynamically recrystallized quartz: the effect of crystallography and temperature. Journal of Structural Geology 24, 1125-1137. Kuntcheva, B., Kruhl, J.H. & Kunze, K., 2006. Crystallographic orientation of high-angle grain boundaries in dynamically recrystallized quartz: First results. Tectonophysics 421, 331-346. Peternell, M., Hasalová, P., Wilson, J.L., Piaziolo, S., Schulmann, K., 2010. Evaluating quartz crystallographic preferred orientations and the role of deformation partitioning using EBSD and fabric analyser techniques. Journal of Structural Geology 32, 803-817.

Enhanced magnetic and thermoelectric properties in epitaxial polycrystalline SrRuO3 thin films.

PubMed

Woo, Sungmin; Lee, Sang A; Mun, Hyeona; Choi, Young Gwan; Zhung, Chan June; Shin, Soohyeon; Lacotte, Morgane; David, Adrian; Prellier, Wilfrid; Park, Tuson; Kang, Won Nam; Lee, Jong Seok; Kim, Sung Wng; Choi, Woo Seok

2018-03-01

Transition metal oxide thin films show versatile electric, magnetic, and thermal properties which can be tailored by deliberately introducing macroscopic grain boundaries via polycrystalline solids. In this study, we focus on the modification of magnetic and thermal transport properties by fabricating single- and polycrystalline epitaxial SrRuO 3 thin films using pulsed laser epitaxy. Using the epitaxial stabilization technique with an atomically flat polycrystalline SrTiO 3 substrate, an epitaxial polycrystalline SrRuO 3 thin film with the crystalline quality of each grain comparable to that of its single-crystalline counterpart is realized. In particular, alleviated compressive strain near the grain boundaries due to coalescence is evidenced structurally, which induced the enhancement of ferromagnetic ordering of the polycrystalline epitaxial thin film. The structural variations associated with the grain boundaries further reduce the thermal conductivity without deteriorating the electronic transport, and lead to an enhanced thermoelectric efficiency in the epitaxial polycrystalline thin films, compared with their single-crystalline counterpart.

Energy-selective Neutron Imaging for Three-dimensional Non-destructive Probing of Crystalline Structures

NASA Astrophysics Data System (ADS)

Peetermans, S.; Bopp, M.; Vontobel, P.; Lehmann, E. H.

Common neutron imaging uses the full polychromatic neutron beam spectrum to reveal the material distribution in a non-destructive way. Performing it with a reduced energy band, i.e. energy-selective neutron imaging, allows access to local variation in sample crystallographic properties. Two sample categories can be discerned with different energy responses. Polycrystalline materials have an energy-dependent cross-section featuring Bragg edges. Energy-selective neutron imaging can be used to distinguish be- tween crystallographic phases, increase material sensitivity or penetration, improve quantification etc. An example of the latter is shown by the examination of copper discs prior to machining them into linear accelerator cavity structures. The cross-section of single crystals features distinct Bragg peaks. Based on their pattern, one can determine the orientation of the crystal, as in a Laue pattern, but with the tremendous advantage that the operation can be performed for each pixel, yielding crystal orientation maps at high spatial resolution. A wholly different method to investigate such samples is also introduced: neutron diffraction imaging. It is based on projections formed by neutrons diffracted from the crystal lattice out of the direct beam. The position of these projections on the detector gives information on the crystal orientation. The projection itself can be used to reconstruct the crystal shape. A three-dimensional mapping of local Bragg reflectivity or a grain orientation mapping can thus be obtained.

Strain localization in ultramylonitic calcite marbles by dislocation creep-accommodated grain boundary sliding

NASA Astrophysics Data System (ADS)

Rogowitz, Anna; Grasemann, Bernhard; Clancy White, Joseph

2015-04-01

Strain localization in monomineralic rocks is often associated with brittle precursors, resulting in stress and strain concentration, followed by grain size reduction and activation of grain-size-sensitive deformation mechanisms such as diffusion creep, grain boundary sliding and cataclastic flow. The aforementioned mechanisms typically tend to produce a random crystallographic orientation or a decrease in intensity of a pre-existing texture. However, reports of fine grained polycrystalline materials showing a preferred crystallographic orientation indicate a need for subsequent grain re-organization by either static annealing or the activation of additional deformation mechanisms in conjunction with grain boundary sliding. We present observations from an almost pure calcite marble layer from Syros Island (Cyclades, Greece) deformed in lower greenschist facies conditions. The presence of a crack (i.e. cross-cutting element) that rotated during shear resulted in the formation of a flanking structure. At the location of maximum displacement (120 cm) along the cross-cutting element, the marble is extremely fine grained (3 µm) leading to anticipation of deformation by grain-size-sensitive mechanisms. Detailed microstructural analysis of the highly strained (80 < gamma < 1000) calcite ultramylonite by optical microscopy, electron backscatter diffraction and scanning transmission electron microscopy show that recrystallization by bulging results in small, strain-free grains. The change in grain size appears to be concomitant with increased activity of independent grain boundary sliding as indicated by a random misorientation angle distribution. At the same time, dislocation multiplication through Frank-Read sources produces high mean dislocation density (~ 5x10^13 m^-2) as well as a weak primary CPO; the latter all argue that grain boundary sliding was accommodated by dislocation activity. Theoretical and experimental determined relationships (paleowattmeter, paleopiezometer, dislocation density) have been used to estimate the flow stress conditions. All of the applied relationships indicate differential stresses in a range between 80 and 200 MPa. Plotted in a deformation mechanism map for calcite, the data show that the ultramylonite was deformed at maximum strain rates of 10^-9 s^-1. Our study shows that the switch from dominantly dislocation creep to grain boundary sliding accommodated by dislocation activity corresponds to strain softening and can be an important strain localization process in calcite rocks, even at high strain rate (10^-9 s^-1) and low temperature (300 °C).

Process Research On Polycrystalline Silicon Material (PROPSM)

NASA Technical Reports Server (NTRS)

Culik, J. S.; Wohlgemuth, J. H.

1982-01-01

Performance limiting mechanisms in polycrystalline silicon are investigated by fabricating a matrix of solar cells of various thicknesses from polycrystalline silicon wafers of several bulk resistivities. The analysis of the results for the entire matrix indicates that bulk recombination is the dominant factor limiting the short circuit current in large grain (greater than 1 to 2 mm diameter) polycrystalline silicon, the same mechanism that limits the short circuit current in single crystal silicon. An experiment to investigate the limiting mechanisms of open circuit voltage and fill factor for large grain polycrystalline silicon is designed. Two process sequences to fabricate small cells are investigated.

Study on Thermochromic VO2 Films Grown on ZnO-Coated Glass Substrates for “Smart Windows”

NASA Astrophysics Data System (ADS)

Kato, Kazuhiro; Song, Pung Keun; Odaka, Hidehumi; Shigesato, Yuzo

2003-10-01

Vanadium dioxide (VO2) is one of the most attractive thermochromic materials, which show large changes in optical and electrical properties at the transition temperature (Tt) close to the atmospheric temperature (approximately 340 K). We already reported for VO2 deposition by rf magnetron sputtering using V2O3 or V2O5 targets that VO2 films thicker than 400 nm showed high thermochromic performance, whereas the VO2 films thinner than 200 nm did not show such performance because of their poor crystallinity and off-stoichiometry. In this study, very thin thermochromic VO2 films with thicknesses of about 50 nm were successfully deposited using highly < 001>-preferred oriented ZnO polycrystalline films as a buffer layer between the VO2 film and glass substrate (VO2/ZnO/glass) because of the heteroepitaxial growth of VO2 polycrystalline films. W-doped VO2 films were also deposited on the ZnO-coated glass substrates (ZnO/glass) by cosputtering. It was confirmed that W doping for thin VO2 films deposited on the ZnO/glass can decrease Tt systematically. Such very thin VO2 films should have high potential for application in “smart windows”.

Dielectric relaxation analysis of Pb(Zr{sub 0.54},Ti{sub 0.46})O{sub 3} thin films: Electric field dependence

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

Ponchel, F., E-mail: freddy.ponchel@univ-valenciennes.fr; Rémiens, D.; Sama, N.

2014-12-28

350 nm-thick Perovskite PbZr{sub 0.54}Ti{sub 0.46}O{sub 3} (PZT) thin films were deposited on Al{sub 2}O{sub 3} substrates by sputtering with and without an additional 10-nm-thick TiO{sub x} buffer layer. X-ray diffraction patterns showed that in presence of TiO{sub x} buffer layer, PZT film was highly oriented along the (111) direction film, whereas the unbuffered, counterpart was polycrystalline. A full wave electromagnetic analysis using a vector finite element method was performed to determine the tunability and the complex permittivity up to 67 GHz. A comparison between the electromagnetic analysis and Cole-Cole relaxation model was proposed. Through an original study of the relaxation timemore » as a function of the electric field, values, such as 2 ps and 0.6 ps, were estimated for E{sub DC} = 0 kV/cm and 235 kV/cm, respectively, and in both cases (111)-PZT and polycrystalline-PZT. The distribution of relaxation times is found to be larger for (111)-PZT film, which is probably related to the film microstructure.« less

Improved texture measurement during deformation of polycrystalline olivine at high pressure

NASA Astrophysics Data System (ADS)

Dixon, N. A.; Durham, W. B.; Kohlstedt, D. L.; Hunt, S. A.

2014-12-01

Unresolved issues in geodynamics demand a better understanding of the bulk mechanical properties of mantle minerals, and also careful analysis of the complex lattice-scale physics behind these properties. Instead of probing the mechanical properties of a material by testing the relationship between "bulk" stress and strain rate in a sample at a variety of conditions (varying P, T, water content, and other environmental variables), synchrotron x-ray diffraction now allows us to observe, in situ, the active deformation physics in much greater detail. This includes in situ monitoring of plastic anisotropy and local stress heterogeneity, grain size, the development of lattice-preferred orientation (LPO), and even the partitioning of stress between multiple phases in the same polycrystalline sample. Here, we present results obtained with the use of the MTEX toolbox for Matlab and energy-dispersive x-ray diffraction, showing the in situ development of LPO in deforming dry San Carlos olivine samples, at pressures from 2-7 GPa. These measurements hint at the active dislocation mechanisms for these conditions. The ability generate a broad range of mantle conditions in the D-DIA, while precisely measuring the structure and conditions within our sample at the grain and lattice scale, demonstrates the promising future of deformation experiments as a means to understanding the evolution of the deep Earth.

van der Waals epitaxy of SnS film on single crystal graphene buffer layer on amorphous SiO2/Si

NASA Astrophysics Data System (ADS)

Xiang, Yu; Yang, Yunbo; Guo, Fawen; Sun, Xin; Lu, Zonghuan; Mohanty, Dibyajyoti; Bhat, Ishwara; Washington, Morris; Lu, Toh-Ming; Wang, Gwo-Ching

2018-03-01

Conventional hetero-epitaxial films are typically grown on lattice and symmetry matched single crystal substrates. We demonstrated the epitaxial growth of orthorhombic SnS film (∼500 nm thick) on single crystal, monolayer graphene that was transferred on the amorphous SiO2/Si substrate. Using X-ray pole figure analysis we examined the structure, quality and epitaxy relationship of the SnS film grown on the single crystal graphene and compared it with the SnS film grown on commercial polycrystalline graphene. We showed that the SnS films grown on both single crystal and polycrystalline graphene have two sets of orientation domains. However, the crystallinity and grain size of the SnS film improve when grown on the single crystal graphene. Reflection high-energy electron diffraction measurements show that the near surface texture has more phases as compared with that of the entire film. The surface texture of a film will influence the growth and quality of film grown on top of it as well as the interface formed. Our result offers an alternative approach to grow a hetero-epitaxial film on an amorphous substrate through a single crystal graphene buffer layer. This strategy of growing high quality epitaxial thin film has potential applications in optoelectronics.

Multiple antiferromagnet/ferromagnet interfaces as a probe of grain-size-dependent exchange bias in polycrystalline Co/Fe 50Mn 50

NASA Astrophysics Data System (ADS)

Bolon, Bruce T.; Haugen, M. A.; Abin-Fuentes, A.; Deneen, J.; Carter, C. B.; Leighton, C.

2007-02-01

We have used ferromagnet/antiferromagnet/ferromagnet trilayers and ferromagnet/antiferromagnet multilayers to probe the grain size dependence of exchange bias in polycrystalline Co/Fe 50Mn 50. X-ray diffraction and transmission electron microscopy show that the Fe 50Mn 50 (FeMn) grain size increases with increasing FeMn thickness in the Co (30 Å)/FeMn system. Hence, in Co(30 Å)/FeMn( tAF Å)/Co(30 Å) trilayers the two Co layers sample different FeMn grain sizes at the two antiferromagnet/ferromagnet interfaces. For FeMn thicknesses above 100 Å, where simple bilayers have a thickness-independent exchange bias, we are therefore able to deduce the influence of FeMn grain size on the exchange bias and coercivity (and their temperature dependence) simply by measuring trilayer and multilayer samples with varying FeMn thicknesses. This can be done while maintaining the (1 1 1) orientation, and with little variation in interface roughness. Increasing the average grain size from 90 to 135 Å results in a fourfold decrease in exchange bias, following an inverse grain size dependence. We interpret the results as being due to a decrease in uncompensated spin density with increasing antiferromagnet grain size, further evidence for the importance of defect-generated uncompensated spins.

Simultaneous determination of mean pressure and deviatoric stress based on numerical tensor analysis: a case study for polycrystalline x-ray diffraction of gold enclosed in a methanol-ethanol mixture.

PubMed

Yoneda, A; Kubo, A

2006-06-28

It is known that the {100} and {111} planes of cubic crystals subjected to uniaxial deviatoric stress conditions have strain responses that are free from the effect of lattice preferred orientation. By utilizing this special character, one can unambiguously and simultaneously determine the mean pressure and deviatoric stress from polycrystalline diffraction data of the cubic sample. Here we introduce a numerical tensor calculation method based on the generalized Hooke's law to simultaneously determine the hydrostatic component of the stress (mean pressure) and deviatoric stress in the sample. The feasibility of this method has been tested by examining the experimental data of the Au pressure marker enclosed in a diamond anvil cell using a pressure medium of methanol-ethanol mixture. The results demonstrated that the magnitude of the deviatoric stress is ∼0.07 GPa at the mean pressure of 10.5 GPa, which is consistent with previous results of Au strength under high pressure. Our results also showed that even a small deviatoric stress (∼0.07 GPa) could yield a ∼0.3 GPa mean pressure error at ∼10 GPa.

Temperature characteristics of SAW resonators on Sc0.26Al0.74N/polycrystalline diamond heterostructures

NASA Astrophysics Data System (ADS)

Sinusía Lozano, M.; Chen, Z.; Williams, Oliver A.; Iriarte, G. F.

2018-07-01

Surface acoustic wave (SAW) resonators have been fabricated on a 2 μm scandium aluminium nitride (ScAlN) film deposited by means of pulsed-DC reactive magnetron sputtering on a 5.8 μm polycrystalline diamond substrate. Thin film characterization comprised of the assessment of the thin film texture by means of x-ray diffraction (XRD) measurements, reporting highly c-axis oriented ScAlN thin films with a full width at half maximum (FWHM) of the ω-θ scans below 2°. Compositional and piezoelectric analyses of the thin films synthesized with the sputtering parameters used in this work, namely a sputtering power of 700 W and a synthesis pressure of 0.53 Pa, have reported a thin film composition of Sc0.26Al0.74N together with a piezoelectric d33 constant of ‑11 pC/N. Finally, a SAW resonator has been characterized using a vector network analyser (VNA) under various substrate temperature conditions with two iterations. The resulting temperature coefficient of frequency (TCF) values show a highly linear behaviour within two temperature ranges, namely from 20 K to room temperature (300 K) (‑12.5 ppm/K) as well as from 300 K up to 450 K (‑34.6 ppm/K).

Neutron-irradiation creep of silicon carbide materials beyond the initial transient

DOE PAGES

Katoh, Yutai; Ozawa, Kazumi; Shimoda, Kazuya; ...

2016-06-04

Irradiation creep beyond the transient regime was investigated for various silicon carbide (SiC) materials. Here, the materials examined included polycrystalline or monocrystalline high-purity SiC, nanopowder sintered SiC, highly crystalline and near-stoichiometric SiC fibers (including Hi-Nicalon Type S, Tyranno SA3, isotopically-controlled Sylramic and Sylramic-iBN fibers), and a Tyranno SA3 fiber–reinforced SiC matrix composite fabricated through a nano-infiltration transient eutectic phase process. Neutron irradiation experiments for bend stress relaxation tests were conducted at irradiation temperatures ranging from 430 to 1180 °C up to 30 dpa with initial bend stresses of up to ~1 GPa for the fibers and ~300 MPa for themore » other materials. Initial bend stress in the specimens continued to decrease from 1 to 30 dpa. Analysis revealed that (1) the stress exponent of irradiation creep above 1 dpa is approximately unity, (2) the stress normalized creep rate is ~1 × 10 –7 [dpa –1 MPa –1] at 430–750 °C for the range of 1–30 dpa for most polycrystalline SiC materials, and (3) the effects on irradiation creep of initial microstructures—such as grain boundary, crystal orientation, and secondary phases—increase with increasing irradiation temperature.« less

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

Luscher, Darby J.

We detail a modeling approach to simulate the anisotropic thermal expansion of polycrystalline (1,3,5-triamino-2,4,6-trinitrobenzene) TATB-based explosives that utilizes microstructural information including porosity, crystal aspect ratio, and processing-induced texture. This report, the first in a series, focuses on nonlinear thermal expansion of “neat-pressed” polycrystalline TATB specimens which do not contain any binder; additional complexities related to polymeric binder and irreversible ratcheting behavior are briefly discussed, however detailed investigation of these aspects are deferred to subsequent reports. In this work we have, for the first time, developed a mesoscale continuum model relating the thermal expansion of polycrystal TATB specimens to their microstructuralmore » characteristics. A self-consistent homogenization procedure is used to relate macroscopic thermoelastic response to the constitutive behavior of single-crystal TATB. The model includes a representation of grain aspect ratio, porosity, and crystallographic texture attributed to the consolidation process. A quantitative model is proposed to describe the evolution of preferred orientation of graphitic planes in TATB during consolidation and an algorithm constructed to develop a discrete representation of the associated orientation distribution function. Analytical and numerical solutions using this model are shown to produce textures consistent with previous measurements and characterization for isostatic and uniaxial “die-pressed” specimens. Predicted thermal strain versus temperature for textured specimens are shown to be in agreement with corresponding experimental measurements. Using the developed modeling approach, several simulations have been run to investigate the influence of microstructure on macroscopic thermal expansion behavior. Results from these simulations are used to identify qualitative trends. Implications of the identified trends are discussed in the context of thermal deformation of engineered components whose consolidation process is generally more complex than isostatic or die-pressed specimens. Finally, an envisioned application of the modeling approach to simulating thermal expansion of weapon systems and components is outlined along with necessary future work to introduce the effects of binder and ratcheting behavior. Key conclusions from this work include the following. Both porosity and grain aspect ratio have an influence on the thermal expansion of polycrystal TATB considering realistic material variability. Thepreferred orientation of the single crystal TATB [001] poles within a polycrystal gives rise to pronounced anisotropy of the macroscopic thermal expansion. The extent of this preferred orientation depends on the magnitude of deformation, and consequently, is expected to vary spatially throughout manufactured components much like porosity. The modeling approach presented here has utility toward bringing spatially variable microstructural features into macroscale system engineering modelsAbstract Not Provided« less

Meso-scale anisotropic hydrogen segregation near grain-boundaries in polycrystalline nickel characterized by EBSD/SIMS

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

Oudriss, A.; Le Guernic, Solenne; Wang, Zhaoying

2016-02-15

To study anisotropic hydrogen segregation and diffusion in nickel polycrystalline, Secondary Ion Mass Spectrometry (SIMS) and Electron Back Scattered Diffraction (EBSD) are integrated to investigate hydrogen distribution around grain boundaries. Hydrogen distribution in pre-charged samples were correlated with grain boundary character by integrating high-resolution grain microstructure from EBSD inverse pole figure map and low-resolution hydrogen concentration profile map from SIMS. This multimodal imaging instrumentation shows that grain boundaries in nickel can be categorized into two families based on behavior of hydrogen distribution crossing grain boundary: the first one includes random grain boundaries with fast hydrogen diffusivity, showing a sharp gapmore » for hydrogen concentration profile cross the grain boundaries. The second family are special Σ3n grain boundaries with low hydrogen diffusivity, showing a smooth gradient of hydrogen concentration cross the grain boundary. Heterogeneous hydrogen distributions due to grain boundary family revealed by SIMS/EBSD on mesoscale further validate the recent hydrogen permeation data and anisotropic ab-initio calculations in nanoscale. The results highlight the fact that grain boundaries character impacts hydrogen distribution significantly.« less

Process for direct integration of a thin-film silicon p-n junction diode with a magnetic tunnel junction

DOEpatents

Toet, Daniel; Sigmon, Thomas W.

2004-12-07

A process for direct integration of a thin-film silicon p-n junction diode with a magnetic tunnel junction for use in advanced magnetic random access memory (MRAM) cells for high performance, non-volatile memory arrays. The process is based on pulsed laser processing for the fabrication of vertical polycrystalline silicon electronic device structures, in particular p-n junction diodes, on films of metals deposited onto low temperature-substrates such as ceramics, dielectrics, glass, or polymers. The process preserves underlayers and structures onto which the devices are typically deposited, such as silicon integrated circuits. The process involves the low temperature deposition of at least one layer of silicon, either in an amorphous or a polycrystalline phase on a metal layer. Dopants may be introduced in the silicon film during or after deposition. The film is then irradiated with short pulse laser energy that is efficiently absorbed in the silicon, which results in the crystallization of the film and simultaneously in the activation of the dopants via ultrafast melting and solidification. The silicon film can be patterned either before or after crystallization.

Process For Direct Integration Of A Thin-Film Silicon P-N Junction Diode With A Magnetic Tunnel Junction

DOEpatents

Toet, Daniel; Sigmon, Thomas W.

2005-08-23

A process for direct integration of a thin-film silicon p-n junction diode with a magnetic tunnel junction for use in advanced magnetic random access memory (MRAM) cells for high performance, non-volatile memory arrays. The process is based on pulsed laser processing for the fabrication of vertical polycrystalline silicon electronic device structures, in particular p-n junction diodes, on films of metals deposited onto low temperature-substrates such as ceramics, dielectrics, glass, or polymers. The process preserves underlayers and structures onto which the devices are typically deposited, such as silicon integrated circuits. The process involves the low temperature deposition of at least one layer of silicon, either in an amorphous or a polycrystalline phase on a metal layer. Dopants may be introduced in the silicon film during or after deposition. The film is then irradiated with short pulse laser energy that is efficiently absorbed in the silicon, which results in the crystallization of the film and simultaneously in the activation of the dopants via ultrafast melting and solidification. The silicon film can be patterned either before or after crystallization.

Process for direct integration of a thin-film silicon p-n junction diode with a magnetic tunnel junction

DOEpatents

Toet, Daniel; Sigmon, Thomas W.

2003-01-01

A process for direct integration of a thin-film silicon p-n junction diode with a magnetic tunnel junction for use in advanced magnetic random access memory (MRAM) cells for high performance, non-volatile memory arrays. The process is based on pulsed laser processing for the fabrication of vertical polycrystalline silicon electronic device structures, in particular p-n junction diodes, on films of metals deposited onto low temperature-substrates such as ceramics, dielectrics, glass, or polymers. The process preserves underlayers and structures onto which the devices are typically deposited, such as silicon integrated circuits. The process involves the low temperature deposition of at least one layer of silicon, either in an amorphous or a polycrystalline phase on a metal layer. Dopants may be introduced in the silicon film during or after deposition. The film is then irradiated with short pulse laser energy that is efficiently absorbed in the silicon, which results in the crystallization of the film and simultaneously in the activation of the dopants via ultrafast melting and solidification. The silicon film can be patterned either before or after crystallization.

Crystallographic analysis of the solid-state dewetting of polycrystalline gold film using automated indexing in a transmission electron microscope

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

Jang, S. A.; Lee, H. J.; Oh, Y. J., E-mail: yjoh@hanbat.ac.kr

We analyzed the effect of crystallographic anisotropy on the morphological evolution of a 12-nm-thick gold film during solid-state dewetting at high temperatures using automated indexing tool in a transmission electron microscopy. Dewetting initiated at grain-boundary triple junctions adjacent to large grains resulting from abnormal grain growth driven by (111) texture development. Voids at the junctions developed shapes with faceted edges bounded by low-index crystal planes. The kinetic mobility of the edges varied with the crystal orientation normal to the edges, with a predominance of specific edges with the slowest retraction rates as the annealing time was increased.

On the bulk degradation of yttria-stabilized nanocrystalline zirconia dental implant abutments: an electron backscatter diffraction study.

PubMed

Ocelík, V; Schepke, U; Rasoul, H Haji; Cune, M S; De Hosson, J Th M

2017-08-01

Degradation of yttria-stabilized zirconia dental implants abutments due to the tetragonal to monoclinic phase transformation was studied in detail by microstructural characterization using Electron Back Scatter Diffraction (EBSD). The amount and distribution of the monoclinic phase, the grain-size distribution and crystallographic orientations between tetragonal and monoclinic crystals in 3 mol.% yttria-stabilized polycrystalline zirconia (3Y-TZP) were determined in two different types of nano-crystalline dental abutments, even for grains smaller than 400 nm. An important and novel conclusion is that no substantial bulk degradation of 3Y-TZP dental implant abutments was detected after 1 year of clinical use.

Electron microscopic and ion scattering studies of heteroepitaxial tin-doped indium oxide films

NASA Astrophysics Data System (ADS)

Kamei, Masayuki; Shigesato, Yuzo; Takaki, Satoru; Hayashi, Yasuo; Sasaki, Mikio; Haynes, Tony E.

1994-08-01

The microstructure of heteroepitaxial tin-doped indium oxide (ITO) films were studied in detail. The surface morphology of the heteroepitaxial ITO film consisted of square-shaped, in-plane oriented subgrains (˜300 Å) in contrast to that of the polycrystalline film (characteristic grain-subgrain structure). The subgrain boundaries were predominantly formed along the {110} planes in the ITO film and dislocations were observed primarily along the subgrain boundaries. Ion channeling measurements showed the dislocation density of this film to be approximately 3×1010/cm2, and the angular distribution of the ion channeling yield showed that the subgrains are aligned to within better than 0.3° (standard deviation).

Laser Demonstration of Diode-Pumped Nd3+-Doped Fluorapatite Anisotropic Ceramics

NASA Astrophysics Data System (ADS)

Akiyama, Jun; Sato, Yoichi; Taira, Takunori

2011-02-01

We report the first demonstration of a diode-pumped anisotropic ceramic laser that uses microdomain-controlled neodymium-doped hexagonal fluorapatite [Nd3+:Ca10(PO4)6F2, Nd:FAP] polycrystalline ceramics as the gain medium, which were fabricated by the rare-earth-assisted magnetic grain-orientation control method, as a step toward achieving giant micro photonics. The laser delivers 1063.10 and 1063.22 nm output beams when pumped with a central wavelength of 807.5 nm and a 2 nm bandwidth diode laser operating in quasi-continuous-wave (QCW) mode. We obtained a maximum QCW peak power of 255 mW with an uncoated 2 at. % Nd:FAP material.

Effect of texture on rheological properties: the case of ɛ-Fe (Invited)

NASA Astrophysics Data System (ADS)

Merkel, S.; Gruson, M.; Tomé, C. N.; Nishiyama, N.; Wang, Y.

2009-12-01

Lattice preferred orientations (LPO) are known to affect the physical properties of materials. However, in most high pressure deformation experiments, LPO are ignored when interpreting the measured stress-strain curves. In addition, stress measurements in those experiments are complicated by the effect of plastic deformation on the measured lattice strains(1). Here, we present a new interpretation of the results obtained on hcp-iron at up to 19 GPa and 600 K in the deformation-DIA(2). In those experiments, five independent stress-strain curves were obtained on axial shortening with a ductile behavior of the sample for all. Stress were studied using results of monochromatic X-ray diffraction and the elastic theory of lattice strains(3). However, measured stresses were inconsistent with a change of behavior after 4% axial strain, particularly for strains measured on the 0002 line. We use elasto-plastic self consistent modeling(1) to show that this change of behavior is due to the evolution of LPO in the sample. With compression, 10-10 planes in hcp-iron align parallel to the compression direction and this affects the rheological behavior of the sample, which can not be summarized in a simple average law. We will also discuss the implication of those results for the extraction of polycrystalline rheological properties for materials with non-random lattice preferred orientations and how this could affect our understanding of the Earth deep interior. 1- S. Merkel, C.N. Tomé, H.-R Wenk, A modeling analysis of the influence of plasticity on high pressure deformation of hcp-Co, Phys. Rev. B, 79, 064110 (2009) 2- N. Nishiyama, Y. Wang, M. L. Rivers, S. R. Sutton, D. Cookson, Rheology of e-iron up to 19 GPa and 600 K in the D-DIA, Geophys. Res. Lett., 34, L23304 (2007) 3- A. K. Singh, C. Balasingh, H. K. Mao, R. J. Hemley, J. Shu, Analysis of lattice strains measured under non-hydrostatic pressure, J. Appl. Phys., 83, 7567-7575 (1998)

Coulometric Study of Rates of Oxalic Acid Adsorption at a Polycrystalline Platinum Electrode

DTIC Science & Technology

2012-09-01

Coulometric Study of Rates of Oxalic Acid Adsorption at a Polycrystalline Platinum Electrode by Sol Gilman ARL-TR-6165 September 2012...6165 September 2012 Coulometric Study of Rates of Oxalic Acid Adsorption at a Polycrystalline Platinum Electrode Sol Gilman Sensors and...3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE Coulometric Study of Rates of Oxalic Acid Adsorption at a Polycrystalline Platinum Electrode

Wave propagation modeling in composites reinforced by randomly oriented fibers

NASA Astrophysics Data System (ADS)

Kudela, Pawel; Radzienski, Maciej; Ostachowicz, Wieslaw

2018-02-01

A new method for prediction of elastic constants in randomly oriented fiber composites is proposed. It is based on mechanics of composites, the rule of mixtures and total mass balance tailored to the spectral element mesh composed of 3D brick elements. Selected elastic properties predicted by the proposed method are compared with values obtained by another theoretical method. The proposed method is applied for simulation of Lamb waves in glass-epoxy composite plate reinforced by randomly oriented fibers. Full wavefield measurements conducted by the scanning laser Doppler vibrometer are in good agreement with simulations performed by using the time domain spectral element method.

Distinct crystallinity and orientations of hydroxyapatite thin films deposited on C- and A-plane sapphire substrates

NASA Astrophysics Data System (ADS)

Akazawa, Housei; Ueno, Yuko

2014-10-01

We report how the crystallinity and orientation of hydroxyapatite (HAp) films deposited on sapphire substrates depend on the crystallographic planes. Both solid-phase crystallization of amorphous HAp films and crystallization during sputter deposition at elevated temperatures were examined. The low-temperature epitaxial phase on C-plane sapphire substrates has c-axis orientated HAp crystals regardless of the crystallization route, whereas the preferred orientation switches to the (310) direction at higher temperatures. Only the symmetric stretching mode (ν1) of PO43- units appears in the Raman scattering spectra, confirming well-ordered crystalline domains. In contrast, HAp crystals grown on A-plane sapphire substrates are always oriented toward random orientations. Exhibiting all vibrational modes (ν1, ν3, and ν4) of PO43- units in the Raman scattering spectra reflects random orientation, violating the Raman selection rule. If we assume that Raman intensities of PO43- units represent the crystallinity of HAp films, crystallization terminating the surface with the C-plane is hindered by the presence of excess H2O and OH species in the film, whereas crystallization at random orientations on the A-plane sapphire is rather promoted by these species. Such contrasting behaviors between C-plane and A-plane substrates will reflect surface-plane dependent creation of crystalline seeds and eventually determine the orientation of resulting HAp films.

Free Vibration of Uncertain Unsymmetrically Laminated Beams

NASA Technical Reports Server (NTRS)

Kapania, Rakesh K.; Goyal, Vijay K.

2001-01-01

Monte Carlo Simulation and Stochastic FEA are used to predict randomness in the free vibration response of thin unsymmetrically laminated beams. For the present study, it is assumed that randomness in the response is only caused by uncertainties in the ply orientations. The ply orientations may become random or uncertain during the manufacturing process. A new 16-dof beam element, based on the first-order shear deformation beam theory, is used to study the stochastic nature of the natural frequencies. Using variational principles, the element stiffness matrix and mass matrix are obtained through analytical integration. Using a random sequence a large data set is generated, containing possible random ply-orientations. This data is assumed to be symmetric. The stochastic-based finite element model for free vibrations predicts the relation between the randomness in fundamental natural frequencies and the randomness in ply-orientation. The sensitivity derivatives are calculated numerically through an exact formulation. The squared fundamental natural frequencies are expressed in terms of deterministic and probabilistic quantities, allowing to determine how sensitive they are to variations in ply angles. The predicted mean-valued fundamental natural frequency squared and the variance of the present model are in good agreement with Monte Carlo Simulation. Results, also, show that variations between plus or minus 5 degrees in ply-angles can affect free vibration response of unsymmetrically and symmetrically laminated beams.

Grain orientation effects on dynamic strength of FCC multicrystals at low shock pressures: a hydrodynamic instability study

DOE PAGES

Peralta, P.; Loomis, E.; Chen, Y.; ...

2015-04-09

Variability in local dynamic plasticity due to material anisotropy in polycrystalline metals is likely to be important on damage nucleation and growth at low pressures. Hydrodynamic instabilities could be used to study these plasticity effects by correlating measured changes in perturbation amplitudes at free surfaces to local plastic behaviour and grain orientation, but amplitude changes are typically too small to be measured reliably at low pressures using conventional diagnostics. Correlations between strength at low shock pressures and grain orientation were studied in copper (grain size ≈ 800 μm) using the Richtmyer–Meshkov instability with a square-wave surface perturbation (wavelength = 150 μm, amplitude = 5 μm), shocked at 2.7 GPa using symmetric plate impacts. A Plexiglas window was pressed against the peaks of the perturbation, keeping valleys as free surfaces. This produced perturbation amplitude changes much larger than those predicted without the window. Amplitude reductions from 64 to 88% were measured in recovered samples and grains oriented close tomore » $$\\langle$$0 0 1$$\\rangle$$ parallel to the shock had the largest final amplitude, whereas grains with shocks directions close to $$\\langle$$1 0 1$$\\rangle$$ had the lowest. Finite element simulations were performed with elastic-perfectly plastic models to estimate yield strengths leading lead to those final amplitudes. Anisotropic elasticity and these yield strengths were used to calculate the resolved shear stresses at yielding for the two orientations. In conclusion, results are compared with reports on orientation dependence of dynamic yielding in Cu single crystals and the higher values obtained suggest that strength estimations via hydrodynamic instabilities are sensitive to strain hardening and strain rate effects.« less

Molecular dynamics simulations of lithium silicate/vanadium pentoxide interfacial lithium ion diffusion in thin film lithium ion-conducting devices

NASA Astrophysics Data System (ADS)

Li, Weiqun

The lithium ion diffusion behavior and mechanism in the glassy electrolyte and the electrolyte/cathode interface during the initial stage of lithium ion diffusing from electrolyte into cathode were investigated using Molecular Dynamics simulation technique. Lithium aluminosilicate glass electrolytes with different R (ratio of the concentration of Al to Li) were simulated. The structural features of the simulated glasses are analyzed using Radial Distribution Function (RDF) and Pair Distribution Function (PDF). The diffusion coefficient and activation energy of lithium ion diffusion in simulated lithium aluminosilicate glasses were calculated and the values are consistent with those in experimental glasses. The behavior of lithium ion diffusion from the glassy electrolyte into a polycrystalline layered intercalation cathode has been studied. The solid electrolyte was a model lithium silicate glass while the cathode was a nanocrystalline vanadia with amorphous V2O5 intergranular films (IGF) between the V2O5 crystals. Two different orientations between the V2O5 crystal planes are presented for lithium ion intercalation via the amorphous vanadia IGF. A series of polycrystalline vanadia cathodes with 1.3, 1.9, 2.9 and 4.4 nm thickness IGFs were simulated to examine the effects of the IGF thickness on lithium ion transport in the polycrystalline vanadia cathodes. The simulated results showed that the lithium ions diffused from the glassy electrolyte into the IGF of the polycrystalline vanadia cathode and then part of those lithium ions diffused into the crystalline V2O5 from the IGF. The simulated results also showed an ordering of the vanadium ion structure in the IGF near the IGF/V2 O5 interface. The ordering structure still existed with glass former silica additive in IGF. Additionally, 2.9 run is suggested to be the optimal thickness of the IGF, which is neither too thick to decrease the capacity of the cathode nor too thin to impede the transport of lithium from glassy electrolyte into the cathode. Parallel molecular dynamic simulation technique was also used for a larger electrolyte/cathode interface system, which include more atoms and more complicated microstructures. Simulation results from larger electrolyte/cathode interface system prove that there is no size effect on simulation of smaller electrolyte/cathode interface system from statistical point of view.

Mechanisms limiting the performance of large grain polycrystalline silicon solar cells

NASA Technical Reports Server (NTRS)

Culik, J. S.; Alexander, P.; Dumas, K. A.; Wohlgemuth, J. W.

1984-01-01

The open-circuit voltage and short-circuit current of large-grain (1 to 10 mm grain diameter) polycrystalline silicon solar cells is determined by the minority-carrier diffusion length within the bulk of the grains. This was demonstrated by irradiating polycrystalline and single-crystal (Czochralski) silicon solar cells with 1 MeV electrons to reduce their bulk lifetime. The variation of short-circuit current with minority-carrier diffusion length for the polycrystalline solar cells is identical to that of the single-crystal solar cells. The open-circuit voltage versus short-circuit current characteristic of the polycrystalline solar cells for reduced diffusion lengths is also identical to that of the single-crystal solar cells. The open-circuit voltage of the polycrystalline solar cells is a strong function of quasi-neutral (bulk) recombination, and is reduced only slightly, if at all, by grain-boundary recombination.

Multiferroic YCrO3 thin films grown on glass substrate: Resistive switching characteristics

NASA Astrophysics Data System (ADS)

Seo, Jeongdae; Ahn, Yoonho; Son, Jong Yeog

2016-01-01

Polycrystalline YCrO3 thin films were deposited on (111) Pt/Ta/glass substrates by pulsed laser deposition. The YCrO3 thin films exhibited good ferroelectric properties with remnant polarization of about 5 µC/cm2. Large leakage current was observed by I- V curve and ferroelectric hysteresis loop. The YCrO3 resistive random access memory (RRAM) capacitor showed unipolar switching behaviors with SET and RESET voltages higher than those of general NiO RRAM capacitors. [Figure not available: see fulltext.

Probabilistic fracture finite elements

NASA Technical Reports Server (NTRS)

Liu, W. K.; Belytschko, T.; Lua, Y. J.

1991-01-01

The Probabilistic Fracture Mechanics (PFM) is a promising method for estimating the fatigue life and inspection cycles for mechanical and structural components. The Probability Finite Element Method (PFEM), which is based on second moment analysis, has proved to be a promising, practical approach to handle problems with uncertainties. As the PFEM provides a powerful computational tool to determine first and second moment of random parameters, the second moment reliability method can be easily combined with PFEM to obtain measures of the reliability of the structural system. The method is also being applied to fatigue crack growth. Uncertainties in the material properties of advanced materials such as polycrystalline alloys, ceramics, and composites are commonly observed from experimental tests. This is mainly attributed to intrinsic microcracks, which are randomly distributed as a result of the applied load and the residual stress.

Probabilistic fracture finite elements

NASA Astrophysics Data System (ADS)

Liu, W. K.; Belytschko, T.; Lua, Y. J.

1991-05-01

The Probabilistic Fracture Mechanics (PFM) is a promising method for estimating the fatigue life and inspection cycles for mechanical and structural components. The Probability Finite Element Method (PFEM), which is based on second moment analysis, has proved to be a promising, practical approach to handle problems with uncertainties. As the PFEM provides a powerful computational tool to determine first and second moment of random parameters, the second moment reliability method can be easily combined with PFEM to obtain measures of the reliability of the structural system. The method is also being applied to fatigue crack growth. Uncertainties in the material properties of advanced materials such as polycrystalline alloys, ceramics, and composites are commonly observed from experimental tests. This is mainly attributed to intrinsic microcracks, which are randomly distributed as a result of the applied load and the residual stress.

Oriented epitaxial TiO2 nanowires for water splitting

NASA Astrophysics Data System (ADS)

Hou, Wenting; Cortez, Pablo; Wuhrer, Richard; Macartney, Sam; Bozhilov, Krassimir N.; Liu, Rong; Sheppard, Leigh R.; Kisailus, David

2017-06-01

Highly oriented epitaxial rutile titanium dioxide (TiO2) nanowire arrays have been hydrothermally grown on polycrystalline TiO2 templates with their orientation dependent on the underlying TiO2 grain. Both the diameter and areal density of the nanowires were tuned by controlling the precursor concentration, and the template surface energy and roughness. Nanowire tip sharpness was influenced by precursor solubility and diffusivity. A new secondary ion mass spectrometer technique has been developed to install additional nucleation sites in single crystal TiO2 templates and the effect on nanowire growth was probed. Using the acquired TiO2 nanowire synthesis knowhow, an assortment of nanowire arrays were installed upon the surface of undoped TiO2 photo-electrodes and assessed for their photo-electrochemical water splitting performance. The key result obtained was that the presence of short and dispersed nanowire arrays significantly improved the photocurrent when the illumination intensity was increased from 100 to 200 mW cm-2. This is attributed to the alignment of the homoepitaxially grown nanowires to the [001] direction, which provides the fastest charge transport in TiO2 and an improved pathway for photo-holes to find water molecules and undertake oxidation. This result lays a foundation for achieving efficient water splitting under conditions of concentrated solar illumination.

3D Representative Volume Element Reconstruction of Fiber Composites via Orientation Tensor and Substructure Features

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

Li, Yi; Chen, Wei; Xu, Hongyi

To provide a seamless integration of manufacturing processing simulation and fiber microstructure modeling, two new stochastic 3D microstructure reconstruction methods are proposed for two types of random fiber composites: random short fiber composites, and Sheet Molding Compounds (SMC) chopped fiber composites. A Random Sequential Adsorption (RSA) algorithm is first developed to embed statistical orientation information into 3D RVE reconstruction of random short fiber composites. For the SMC composites, an optimized Voronoi diagram based approach is developed for capturing the substructure features of SMC chopped fiber composites. The proposed methods are distinguished from other reconstruction works by providing a way ofmore » integrating statistical information (fiber orientation tensor) obtained from material processing simulation, as well as capturing the multiscale substructures of the SMC composites.« less

Correlating sampling and intensity statistics in nanoparticle diffraction experiments

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

Öztürk, Hande; Yan, Hanfei; Hill, John P.

2015-07-28

It is shown in a previous article [Öztürk, Yan, Hill & Noyan (2014).J. Appl. Cryst.47, 1016–1025] that the sampling statistics of diffracting particle populations within a polycrystalline ensemble depended on the size of the constituent crystallites: broad X-ray peak breadths enabled some nano-sized particles to contribute more than one diffraction spot to Debye–Scherrer rings. Here it is shown that the equations proposed by Alexander, Klug & Kummer [J. Appl. Phys.(1948),19, 742–753] (AKK) to link diffracting particle and diffracted intensity statistics are not applicable if the constituent crystallites of the powder are below 10 nm. In this size range, (i) themore » one-to-one correspondence between diffracting particles and Laue spots assumed in the AKK analysis is not satisfied, and (ii) the crystallographic correlation between Laue spots originating from the same grain invalidates the assumption that all diffracting plane normals are randomly oriented and uncorrelated. Such correlation produces unexpected results in the selection of diffracting grains. For example, three or more Laue spots from a given grain for a particular reflection can only be observed at certain wavelengths. In addition, correcting the diffracted intensity values by the traditional Lorentz term, 1/cos θ, to compensate for the variation of particles sampled within a reflection band does not maintain fidelity to the number of poles contributing to the diffracted signal. A new term, cos θ B/cos θ, corrects this problem.« less

Correlating Sampling and Intensity Statistics in Nanoparticle Diffraction Experiments

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

Ozturk, Hande; Yan, Hanfei; Hill, John P.

2015-08-01

In this article, [Öztürk, Yan, Hill & Noyan (2014). J. Appl. Cryst. 47, 1016-1025] it was shown that the sampling statistics of diffracting particle populations within a polycrystalline ensemble depended on the size of the constituent crystallites: broad X-ray peak breadths enabled some nano-sized particles to contribute more than one diffraction spot to Debye-Scherrer rings. Here it is shown that the equations proposed by Alexander, Klug & Kummer [J. Appl. Phys. (1948), 19, 742-753] (AKK) to link diffracting particle and diffracted intensity statistics are not applicable if the constituent crystallites of the powder are below 10 nm. In this sizemore » range, (i) the one-to-one correspondence between diffracting particles and Laue spots assumed in the AKK analysis is not satisfied, and (ii) the crystallographic correlation between Laue spots originating from the same grain invalidates the assumption that all diffracting plane normals are randomly oriented and uncorrelated. Such correlation produces unexpected results in the selection of diffracting grains. Three or more Laue spots from a given grain for a particular reflection can only be observed at certain wavelengths. In addition, correcting the diffracted intensity values by the traditional Lorentz term, 1/cos [theta], to compensate for the variation of particles sampled within a reflection band does not maintain fidelity to the number of poles contributing to the diffracted signal. A new term, cos [theta]B/cos [theta], corrects this problem.« less

Polysilicon photoconductor for integrated circuits

DOEpatents

Hammond, Robert B.; Bowman, Douglas R.

1989-01-01

A photoconductive element of polycrystalline silicon is provided with intrinsic response time which does not limit overall circuit response. An undoped polycrystalline silicon layer is deposited by LPCVD to a selected thickness on silicon dioxide. The deposited polycrystalline silicon is then annealed at a selected temperature and for a time effective to obtain crystal sizes effective to produce an enhanced current output. The annealed polycrystalline layer is subsequently exposed and damaged by ion implantation to a damage factor effective to obtain a fast photoconductive response.

Polysilicon photoconductor for integrated circuits

DOEpatents

Hammond, Robert B.; Bowman, Douglas R.

1990-01-01

A photoconductive element of polycrystalline silicon is provided with intrinsic response time which does not limit overall circuit response. An undoped polycrystalline silicon layer is deposited by LPCVD to a selected thickness on silicon dioxide. The deposited polycrystalline silicon is then annealed at a selected temperature and for a time effective to obtain crystal sizes effective to produce an enhanced current output. The annealed polycrystalline layer is subsequently exposed and damaged by ion implantation to a damage factor effective to obtain a fast photoconductive response.

Polysilicon photoconductor for integrated circuits

DOEpatents

Hammond, R.B.; Bowman, D.R.

1989-04-11

A photoconductive element of polycrystalline silicon is provided with intrinsic response time which does not limit overall circuit response. An undoped polycrystalline silicon layer is deposited by LPCVD to a selected thickness on silicon dioxide. The deposited polycrystalline silicon is then annealed at a selected temperature and for a time effective to obtain crystal sizes effective to produce an enhanced current output. The annealed polycrystalline layer is subsequently exposed and damaged by ion implantation to a damage factor effective to obtain a fast photoconductive response. 6 figs.

Predicting seismic anisotropy in D'' from global mantle flow models

NASA Astrophysics Data System (ADS)

Nowacki, A. J.; Walker, A.; Forte, A. M.; Wookey, J.; Kendall, J. M.

2010-12-01

The strong seismic anisotropy of D'' revealed by measurement of shear wave splitting is commonly considered a signature of convectional flow in the lowermost mantle. However, the relationship between the nature of mantle flow and the seismic observations is unclear. In order to test the hypothesis that anisotropy is caused by a deformation-induced crystallographic preferred orientation, we combine 3D models of mantle flow, simulations of the deformation of polycrystalline composites, and new seismic data. We make use of an emerging suite of models of mantle dynamics, which invert data from mineral physics experiments, seismic P- and S-wave travel times, and geodynamic surface observations, to produce an estimate of the current global scale 3D flow in the silicate Earth. Seismic tomography---and hence these dynamic models---is particularly well-constrained beneath Central America because of fortuitous earthquake and seismometer locations. We trace particles through the flow models within three different regions of D'' beneath Central and North America and use the strain field from this tracing as boundary conditions for visco-plastic modelling of texture development in representative polycrystalline samples. In order to simulate texture development we calculate the orientation of each crystal in each sample at each step in the flow. Grain interactions are described using a self-consistent approach, where the crystal is considered embedded in a homogenous effective medium, representing the surrounding grains as an average of the whole sample. Parameters describing the single crystal plasticity (e.g. slip system activities) are chosen to agree with existing experimental results for the deformation of lower mantle minerals, or are taken from parameterisations of the Peierls-Nabarro model of dislocations parameterised using density functional theory. The calculated textures are then used to predict the elastic properties of the deforming lowermost mantle, and thus the magnitude and orientation of shear wave splitting accrued by S waves traversing this region in different directions. We present the first results, and compare them to recent multi-azimuth observations. This allows us to test the efficacy of proposed phase assemblages and slip systems to explain D'' anisotropy. Whilst there are large uncertainties in physical parameters of the deep Earth, we anticipate that the constraints we are able to place on these may allow us in the future to directly map deformation in D'' with anisotropy measurements, hence testing models of deep mantle thermodynamics.

Nanopores creation in boron and nitrogen doped polycrystalline graphene: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Izadifar, Mohammadreza; Abadi, Rouzbeh; Nezhad Shirazi, Ali Hossein; Alajlan, Naif; Rabczuk, Timon

2018-05-01

In the present paper, molecular dynamic simulations have been conducted to investigate the nanopores creation on 10% of boron and nitrogen doped polycrystalline graphene by silicon and diamond nanoclusters. Two types of nanoclusters based on silicon and diamond are used to investigate their effect for the fabrication of nanopores. Therefore, three different diameter sizes of the clusters with five kinetic energies of 10, 50, 100, 300 and 500 eV/atom at four different locations in boron or nitrogen doped polycrystalline graphene nanosheets have been perused. We also study the effect of 3% and 6% of boron doped polycrystalline graphene with the best outcome from 10% of doping. Our results reveal that the diamond cluster with diameter of 2 and 2.5 nm fabricates the largest nanopore areas on boron and nitrogen doped polycrystalline graphene, respectively. Furthermore, the kinetic energies of 10 and 50 eV/atom can not fabricate nanopores in some cases for silicon and diamond clusters on boron doped polycrystalline graphene nanosheets. On the other hand, silicon and diamond clusters fabricate nanopores for all locations and all tested energies on nitrogen doped polycrystalline graphene. The area sizes of nanopores fabricated by silicon and diamond clusters with diameter of 2 and 2.5 nm are close to the actual area size of the related clusters for the kinetic energy of 300 eV/atom in all locations on boron doped polycrystalline graphene. The maximum area and the average maximum area of nanopores are fabricated by the kinetic energy of 500 eV/atom inside the grain boundary at the center of the nanosheet and in the corner of nanosheet with diameters of 2 and 3 nm for silicon and diamond clusters on boron and nitrogen doped polycrystalline graphene.

Oriented antibody immobilization on self-assembled monolayers applied as impedance biosensors

NASA Astrophysics Data System (ADS)

Tsugimura, Kaiki; Ohnuki, Hitoshi; Wu, Haiyun; Endo, Hideaki; Tsuya, Daiju; Izumi, Mitsuru

2017-11-01

Oriented immobilization of antibodies on a sensor chip is crucial for enhancing both the sensitivity and antigen-binding capacity of immunosensors. Here, we report a comparative study of the effect of oriented and random antibody immobilization on the binding efficiency by electrochemical impedance spectroscopy (EIS). Oriented immobilization of anti-myoglobin immunoglobulin G (anti-Myo IgG) was achieved by bonding to an Fc receptor of protein G (PrG) on a self-assembled monolayer (SAM), which results in the myoglobin (Myo) binding sites being exposed outside the sensing surface. Random immobilization of anti-Myo IgG was achieved by direct covalent attachment to the SAM surface. Both immobilizations were applied to interdigitated electrodes to enhance the electrochemical signal, and the Myo biosensor performance was then evaluated by a series of EIS measurements. We found that (i) the rate of the normalized charge transfer resistance for the oriented sample was 3 times higher than that for the random sample and (ii) the detection limit was 0.001 ng/mL, which is the lowest recorded detection limit among Myo immunosensors based on EIS. These findings indicate that oriented antibody immobilization is crucial for preparing highly sensitive EIS-based biosensors.

RESEARCH ON PHYSICAL AND CHEMICAL PRINCIPLES AFFECTING HIGH TEMPERATURE MATERIALS FOR ROCKET NOZZLES. Quarterly Progress Report, April 1, 1963-June 30, 1963

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

Lowrie, R.

1963-10-31

The development and properties of refractory materials are described. Corrosion of zirconium carbide, niobium carbide, and niobium carbide-zirconium carbide systems by carbon dioxide and hydrochloric acid at 2250 deg C is reported. Corrosion of silver-tungsten alloys by carbon dioxide and oxygen at 2150 to 2440 deg K is summarized. Measurements of pyrolytic and ZTA graphite corrosion by carbon dioxide and oxygen at 2100 to 2800 deg K are shown. At 2300 deg C the rate of formation of methane from graphite and hydrogen is greatly reduced by the addition of helium, at constant hydrogen pressure. Up to 2000 deg Cmore » the effect of helium is small. The pyrolysis of methane on graphite at 2000 deg C is tabulated. Oxidation of tungsten to form WO/sub 2/ and WO/sub 3/ is reported. Vaporization of hafnium borides at 2297 to 2538 deg K is analyzed. The lattice parameters of ZrB/sub 2/ at of TiN/sub 0.6/ and TiN/sub 0.75/ are discussed. Powder metallurgical techniques are used to prepare TiB/sub 2/, ZrB/sub 2/, HfB/ sub 2/, NbB/sub 2/, a nd TaB/sub 2/ for detailed x-ray characterization. The electric conductivity of NbC-ZrC systems is reported. General descriptions are given of analytical techniques for free carbon in carbides and spectrographic methods for metallic impurities in carbides and borides. Preliminary roomtemperature measurements are reported of the elastic properties of polycrystalline ZrB/sub 2/. Titanium carbide is brazed to tungsten with a platinum-boron system. A largegrained polycrystalline specimen of ZrC is plastically deformed in creep at 2134 deg C. Metallographic and x-ray examinations of polycrystalline TiC specimens deformed in creep reveal an increasing development with deformation of subgrains having preferred orientation. (N.W.R.)« less

Two-Oxide Disequilibrium: A New Geospeedometer Based on Diffusion in Ilmenite

NASA Astrophysics Data System (ADS)

Williams, K. B.; Krawczynski, M. J.; Van Orman, J. A.

2016-12-01

Diffusion-annealing experiments were conducted in a 0.5" piston cylinder apparatus to investigate diffusivity of Fe2+, Mg2+, and Mn2+ in ilmenite solid solutions between 800ºC and 1000ºC. Polycrystalline ilmenite (FeTiO3) was juxtaposed against either an oriented geikielite (MgTiO3) single crystal or polycrystalline Mn-bearing (5 mol% Mn) ilmenite, in a "diffusion-couple" geometry. Geikielite single crystals were synthesized at Los Alamos National Laboratory, cut into 1 mm edge-length cubes, and polished either perpendicular or parallel to the c-axis. Polycrystalline ilmenite starting materials were synthesized by mixing high purity reagent-grade oxides (FeO, MnO, and TiO2) and sintering in a piston cylinder apparatus, then cut into wafers and polished. Experimental run products were analyzed by electron microprobe at Washington University in St. Louis. Microprobe analyses were obtained perpendicularly across the diffusion interface for each experiment. Experimental diffusion profiles create smooth curves that, when fit with an error function, define Fe-Mg and Fe-Mn interdiffusion coefficients in ilmenite. The diffusion coefficients do not appear compositionally dependent, but do show significant anisotropy. Preliminary results suggest diffusion activation energies are lower in ilmenite than in titanomagnetite [1]. Ilmenite-titanomagnetite equilibria define pre-eruptive temperatures and oxygen fugacities. However, oxides often exist out of equilibrium [2]. We use the cation diffusion data for ilmenite and existing data on titanomagnetite to establish two-oxide disequilibrium as a geospeedometer. Our data constrain oxide-oxide re-equilibration timescales at Mt. Unzen to months, consistent with estimates from zoned, single crystals of magnetite [3,4]. Future experiments will examine the effect of oxygen fugacity on diffusivity in ilmenite solid solutions. References:[1] Van Orman & Crispin (2010) RiMG 72, 757-825.[2] Bacon & Hirschmann (1988) Am. Min. 73, 57-61.[3] Nakamura (1995) Geology 23, 807-810.[4] Venezky & Rutherford (1999) J. Volc. Geo. Res. 89, 213-230.

On the failure load and mechanism of polycrystalline graphene by nanoindentation

PubMed Central

Sha, Z. D.; Wan, Q.; Pei, Q. X.; Quek, S. S.; Liu, Z. S.; Zhang, Y. W.; Shenoy, V. B.

2014-01-01

Nanoindentation has been recently used to measure the mechanical properties of polycrystalline graphene. However, the measured failure loads are found to be scattered widely and vary from lab to lab. We perform molecular dynamics simulations of nanoindentation on polycrystalline graphene at different sites including grain center, grain boundary (GB), GB triple junction, and holes. Depending on the relative position between the indenter tip and defects, significant scattering in failure load is observed. This scattering is found to arise from a combination of the non-uniform stress state, varied and weakened strengths of different defects, and the relative location between the indenter tip and the defects in polycrystalline graphene. Consequently, the failure behavior of polycrystalline graphene by nanoindentation is critically dependent on the indentation site, and is thus distinct from uniaxial tensile loading. Our work highlights the importance of the interaction between the indentation tip and defects, and the need to explicitly consider the defect characteristics at and near the indentation site in polycrystalline graphene during nanoindentation. PMID:25500732

Process Research On Polycrystalline Silicon Material (PROPSM). [flat plate solar array project

NASA Technical Reports Server (NTRS)

Culik, J. S.

1983-01-01

The performance-limiting mechanisms in large-grain (greater than 1 to 2 mm in diameter) polycrystalline silicon solar cells were investigated by fabricating a matrix of 4 sq cm solar cells of various thickness from 10 cm x 10 cm polycrystalline silicon wafers of several bulk resistivities. Analysis of the illuminated I-V characteristics of these cells suggests that bulk recombination is the dominant factor limiting the short-circuit current. The average open-circuit voltage of the polycrystalline solar cells is 30 to 70 mV lower than that of co-processed single-crystal cells; the fill-factor is comparable. Both open-circuit voltage and fill-factor of the polycrystalline cells have substantial scatter that is not related to either thickness or resistivity. This implies that these characteristics are sensitive to an additional mechanism that is probably spatial in nature. A damage-gettering heat-treatment improved the minority-carrier diffusion length in low lifetime polycrystalline silicon, however, extended high temperature heat-treatment degraded the lifetime.

Nondestructive method and apparatus for imaging grains in curved surfaces of polycrystalline articles

DOEpatents

Carpenter, Donald A.

1995-01-01

A nondestructive method, and associated apparatus, are provided for determining the grain flow of the grains in a convex curved, textured polycrystalline surface. The convex, curved surface of a polycrystalline article is aligned in a horizontal x-ray diffractometer and a monochromatic, converging x-ray beam is directed onto the curved surface of the polycrystalline article so that the converging x-ray beam is diffracted by crystallographic planes of the grains in the polycrystalline article. The diffracted x-ray beam is caused to pass through a set of horizontal, parallel slits to limit the height of the beam and thereafter. The linear intensity of the diffracted x-ray is measured, using a linear position sensitive proportional counter, as a function of position in a direction orthogonal to the counter so as to generate two dimensional data. An image of the grains in the curved surface of the polycrystalline article is provided based on the two-dimensional data.

Nondestructive method and apparatus for imaging grains in curved surfaces of polycrystalline articles

DOEpatents

Carpenter, D.A.

1995-05-23

A nondestructive method, and associated apparatus, are provided for determining the grain flow of the grains in a convex curved, textured polycrystalline surface. The convex, curved surface of a polycrystalline article is aligned in a horizontal x-ray diffractometer and a monochromatic, converging x-ray beam is directed onto the curved surface of the polycrystalline article so that the converging x-ray beam is diffracted by crystallographic planes of the grains in the polycrystalline article. The diffracted x-ray beam is caused to pass through a set of horizontal, parallel slits to limit the height of the beam and thereafter. The linear intensity of the diffracted x-ray is measured, using a linear position sensitive proportional counter, as a function of position in a direction orthogonal to the counter so as to generate two dimensional data. An image of the grains in the curved surface of the polycrystalline article is provided based on the two-dimensional data. 7 Figs.

Enhancement of orientation gradients during simple shear deformation by application of simple compression

NASA Astrophysics Data System (ADS)

Jahedi, Mohammad; Ardeljan, Milan; Beyerlein, Irene J.; Paydar, Mohammad Hossein; Knezevic, Marko

2015-06-01

We use a multi-scale, polycrystal plasticity micromechanics model to study the development of orientation gradients within crystals deforming by slip. At the largest scale, the model is a full-field crystal plasticity finite element model with explicit 3D grain structures created by DREAM.3D, and at the finest scale, at each integration point, slip is governed by a dislocation density based hardening law. For deformed polycrystals, the model predicts intra-granular misorientation distributions that follow well the scaling law seen experimentally by Hughes et al., Acta Mater. 45(1), 105-112 (1997), independent of strain level and deformation mode. We reveal that the application of a simple compression step prior to simple shearing significantly enhances the development of intra-granular misorientations compared to simple shearing alone for the same amount of total strain. We rationalize that the changes in crystallographic orientation and shape evolution when going from simple compression to simple shearing increase the local heterogeneity in slip, leading to the boost in intra-granular misorientation development. In addition, the analysis finds that simple compression introduces additional crystal orientations that are prone to developing intra-granular misorientations, which also help to increase intra-granular misorientations. Many metal working techniques for refining grain sizes involve a preliminary or concurrent application of compression with severe simple shearing. Our finding reveals that a pre-compression deformation step can, in fact, serve as another processing variable for improving the rate of grain refinement during the simple shearing of polycrystalline metals.

Highly Doped Polycrystalline Silicon Microelectrodes Reduce Noise in Neuronal Recordings In Vivo

PubMed Central

Saha, Rajarshi; Jackson, Nathan; Patel, Chetan; Muthuswamy, Jit

2013-01-01

The aims of this study are to 1) experimentally validate for the first time the nonlinear current-potential characteristics of bulk doped polycrystalline silicon in the small amplitude voltage regimes (0–200 μV) and 2) test if noise amplitudes (0–15 μV) from single neuronal electrical recordings get selectively attenuated in doped polycrystalline silicon microelectrodes due to the above property. In highly doped polycrystalline silicon, bulk resistances of several hundred kilo-ohms were experimentally measured for voltages typical of noise amplitudes and 9–10 kΩ for voltages typical of neural signal amplitudes (>150–200 μV). Acute multiunit measurements and noise measurements were made in n = 6 and n = 8 anesthetized adult rats, respectively, using polycrystalline silicon and tungsten microelectrodes. There was no significant difference in the peak-to-peak amplitudes of action potentials recorded from either microelectrode (p > 0.10). However, noise power in the recordings from tungsten microelectrodes (26.36 ± 10.13 pW) was significantly higher (p < 0.001) than the corresponding value in polycrystalline silicon microelectrodes (7.49 ± 2.66 pW). We conclude that polycrystalline silicon microelectrodes result in selective attenuation of noise power in electrical recordings compared to tungsten microelectrodes. This reduction in noise compared to tungsten microelectrodes is likely due to the exponentially higher bulk resistances offered by highly doped bulk polycrystalline silicon in the range of voltages corresponding to noise in multiunit measurements. PMID:20667815

[Three-dimensional parallel collagen scaffold promotes tendon extracellular matrix formation].

PubMed

Zheng, Zefeng; Shen, Weiliang; Le, Huihui; Dai, Xuesong; Ouyang, Hongwei; Chen, Weishan

2016-03-01

To investigate the effects of three-dimensional parallel collagen scaffold on the cell shape, arrangement and extracellular matrix formation of tendon stem cells. Parallel collagen scaffold was fabricated by unidirectional freezing technique, while random collagen scaffold was fabricated by freeze-drying technique. The effects of two scaffolds on cell shape and extracellular matrix formation were investigated in vitro by seeding tendon stem/progenitor cells and in vivo by ectopic implantation. Parallel and random collagen scaffolds were produced successfully. Parallel collagen scaffold was more akin to tendon than random collagen scaffold. Tendon stem/progenitor cells were spindle-shaped and unified orientated in parallel collagen scaffold, while cells on random collagen scaffold had disorder orientation. Two weeks after ectopic implantation, cells had nearly the same orientation with the collagen substance. In parallel collagen scaffold, cells had parallel arrangement, and more spindly cells were observed. By contrast, cells in random collagen scaffold were disorder. Parallel collagen scaffold can induce cells to be in spindly and parallel arrangement, and promote parallel extracellular matrix formation; while random collagen scaffold can induce cells in random arrangement. The results indicate that parallel collagen scaffold is an ideal structure to promote tendon repairing.

Population gratings in saturable optical fibers with randomly oriented rare-earth ions

NASA Astrophysics Data System (ADS)

Stepanov, S.; Martinez, L. M.; Hernandez, E. H.; Agruzov, P.; Shamray, A.

2015-07-01

Formation of the dynamic population gratings in optical fibers with randomly oriented rare-earth ions is analyzed with a special interest to the grating component for readout with the orthogonal light polarization. It is shown that as compared with a simple model case of the collinearly oriented dipole-like centers their random orientation leads to approximately 2-times growth of the effective saturation power P sat when it is estimated from the incident power dependence of the fiber absorption or from that of the fluorescence intensity. An optimal incident power, for which the maximum of the dynamic population grating amplitude for collinear light polarization is observed, also follows this change in P sat, while formation of the grating for orthogonal polarization needs essentially higher light power. The reduced anisotropy of the active centers, which is in charge of the experimentally observed weakening of the polarization hole burning (PHB) and of the fluorescence polarization, compensates in some way the effect of random ion orientation. The ratio between the maximum conventional (i.e. for the interacting waves collinear polarizations) two-wave mixing (TWM) amplitude and the initial not saturable fiber optical density proves to be, however, nearly the same as in the model case of collinearly oriented dipoles. The ratio between the PHB effect and the amplitude of the anisotropic grating, which is responsible for TWM of the orthogonally polarized waves, is also not influenced significantly by the reduced anisotropy of ions.

Growth of biaxially textured template layers using ion beam assisted deposition

NASA Astrophysics Data System (ADS)

Park, Seh-Jin

A two-step IBAD (ion beam assisted deposition) method is investigated, and compared to the conventional IBAD methods. The two step method uses surface energy anisotropy to achieve uniaxial texture and ion beam irradiation for biaxial texture. The biaxial texture was achieved by selective surface etching and enhanced by grain overgrowth. In this method, biaxial texture alignment is performed on a (001) uniaxially textured buffer layer. The material selected for achieving uniaxial texture, YBCO (YBa2Cu3O7-x), has strong surface energy anisotropy. YBCO is chemically susceptible to the reaction with the adjacent layer. Yttria stabilized zirconia (YSZ) was used to prevent the reaction between YBCO and the substrates (polycrystalline Ni alloy [Hastelloy] and amorphous SiNx/Si). A SrTiO3 layer was deposited on the uniaxially textured YBCO layer to retard stoichiometry change with subsequent processing. STO is well lattice matched with YBCO. A top layer of Ni was then deposited. The Ni layer was used for studying the effect of grain overgrowth. The obtained uniaxial Ni films were used for subsequent ion beam processing. Ar ion beam irradiation onto the uniaxially textured Ni film was used to study the effect of selective grain etching in achieving in-plane aligned Ni grains. Additional Ni deposition induces the overgrowth of the in-plane aligned Ni grains and, finally, the overall in-plane alignment. The in-plane alignment is examined with XRD phi scan. The effect of surface polarity of insulating oxide substrates on the epitaxial growth behavior was investigated. The lattice strain energy was the most important factor for determining the orientation of Ni films on a non-polar surface. However, for a polar surface, the surface energy plays an important role in determining the final orientation of the Ni films based on the experimental and theoretical results. Y2O3 growth behavior was also studied. The lattice strain energy is the most important factor for Y2O3 growth on single crystalline substrates. The surface energy anisotropy is the most important factor for the growth on amorphous substrates. The XRD phi scan study shows that Ar ion beam irradiation with favorable angle of incidence enhances the in-plane alignment of Y2O3 films grown on randomly oriented substrates due to the ion channeling.

Status of Reconstruction of Fragmented Diamond-on-Silicon Collector From Genesis Spacecraft Solar Wind Concentrator

NASA Technical Reports Server (NTRS)

Rodriquez, Melissa C.; Calaway, M. C.; McNamara, K. M.; Hittle, J. D.

2009-01-01

In addition to passive solar wind collector surfaces, the Genesis Discovery Mission science canister had on board an electrostatic concave mirror for concentrating the solar wind ions, known as the concentrator . The 30-mm-radius collector focal point (the target) was comprised of 4 quadrants: two of single crystal SiC, one of polycrystalline 13C diamond and one of diamond-like-carbon (DLC) on a silicon substrate. [DLC-on-silicon is also sometimes referenced as Diamond-on-silicon, DOS.] Three of target quadrants survived the hard landing intact, but the DLC-on-silicon quadrant fractured into numerous pieces (Fig. 1). This abstract reports the status of identifying the DLC target fragments and reconstructing their original orientation.

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.

Simulation of complex magnesium alloy texture using the axial component fit method with central normal distributions

NASA Astrophysics Data System (ADS)

Ivanova, T. M.; Serebryany, V. N.

2017-12-01

The component fit method in quantitative texture analysis assumes that the texture of the polycrystalline sample can be represented by a superposition of weighted standard distributions those are characterized by position in the orientation space, shape and sharpness of the scattering. The components of the peak and axial shapes are usually used. It is known that an axial texture develops in materials subjected to direct pressing. In this paper we considered the possibility of modelling a texture of a magnesium sample subjected to equal-channel angular pressing with axial components only. The results obtained make it possible to conclude that ECAP is also a process leading to the appearance of an axial texture in magnesium alloys.

Atomistic simulations of dislocation pileup: Grain boundaries interaction

DOE PAGES

Wang, Jian

2015-05-27

Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation ofmore » these kinetic processes with the available slip systems across the GB and atomic structures of the GB.« less

Local reaction kinetics by imaging☆

PubMed Central

Suchorski, Yuri; Rupprechter, Günther

2016-01-01

In the present contribution we present an overview of our recent studies using the “kinetics by imaging” approach for CO oxidation on heterogeneous model systems. The method is based on the correlation of the PEEM image intensity with catalytic activity: scaled down to the μm-sized surface regions, such correlation allows simultaneous local kinetic measurements on differently oriented individual domains of a polycrystalline metal-foil, including the construction of local kinetic phase diagrams. This allows spatially- and component-resolved kinetic studies and, e.g., a direct comparison of inherent catalytic properties of Pt(hkl)- and Pd(hkl)-domains or supported μm-sized Pd-powder agglomerates, studies of the local catalytic ignition and the role of defects and grain boundaries in the local reaction kinetics. PMID:26865736

Controlled Homoepitaxial Growth of Hybrid Perovskites.

PubMed

Lei, Yusheng; Chen, Yimu; Gu, Yue; Wang, Chunfeng; Huang, Zhenlong; Qian, Haoliang; Nie, Jiuyuan; Hollett, Geoff; Choi, Woojin; Yu, Yugang; Kim, NamHeon; Wang, Chonghe; Zhang, Tianjiao; Hu, Hongjie; Zhang, Yunxi; Li, Xiaoshi; Li, Yang; Shi, Wanjun; Liu, Zhaowei; Sailor, Michael J; Dong, Lin; Lo, Yu-Hwa; Luo, Jian; Xu, Sheng

2018-05-01

Organic-inorganic hybrid perovskites have demonstrated tremendous potential for the next-generation electronic and optoelectronic devices due to their remarkable carrier dynamics. Current studies are focusing on polycrystals, since controlled growth of device compatible single crystals is extremely challenging. Here, the first chemical epitaxial growth of single crystal CH 3 NH 3 PbBr 3 with controlled locations, morphologies, and orientations, using combined strategies of advanced microfabrication, homoepitaxy, and low temperature solution method is reported. The growth is found to follow a layer-by-layer model. A light emitting diode array, with each CH 3 NH 3 PbBr 3 crystal as a single pixel, with enhanced quantum efficiencies than its polycrystalline counterparts is demonstrated. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Myths and Truths of Nitinol Mechanics: Elasticity and Tension-Compression Asymmetry

NASA Astrophysics Data System (ADS)

Bucsek, Ashley N.; Paranjape, Harshad M.; Stebner, Aaron P.

2016-09-01

Two prevalent myths of Nitinol mechanics are examined: (1) Martensite is more compliant than austenite; (2) Texture-free Nitinol polycrystals do not exhibit tension-compression asymmetry. By reviewing existing literature, the following truths are revealed: (1) Martensite crystals may be more compliant, equally stiff, or stiffer than austenite crystals, depending on the orientation of the applied load. The Young's Modulus of polycrystalline Nitinol is not a fixed number—it changes with both processing and in operando deformations. Nitinol martensite prefers to behave stiffer under compressive loads and more compliant under tensile loads. (2) Inelastic Nitinol martensite deformation in and of itself is asymmetric, even for texture-free polycrystals. Texture-free Nitinol polycrystals also exhibit tension-compression transformation asymmetry.

The effect of induced strains on photoluminescence properties of ZnO nanostructures grown by thermal evaporation method

NASA Astrophysics Data System (ADS)

Arjmand, Yaser; Eshghi, Hosein

2016-03-01

In this paper, ZnO nanostructures have been synthesized by thermal evaporation process using metallic zinc powder in the presence of oxygen on p-Si (100) at different distances from the boat. The structural and optical characterizations have been carried out. The morphological study shows various shape nanostructures. XRD data indicate that all samples have a polycrystalline wurtzite hexagonal structure in such a way that the closer sample has a preferred orientation along (101) while the ones farther are grown along (002) direction. From the structural and optical data analysis, we found that the induced strains are the main parameter controlling the UV/green peaks ratios in the PL spectra of the studied samples.

Kinetics of oxygen surface exchange on epitaxial Ruddlesden–Popper phases and correlations to first-principles descriptors

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

Lee, Yueh -Lin; Wang, Xiao Renshaw; Lee, Ho Nyung

2015-12-17

Through alignment of theoretical modeling with experimental measurements of oxygen surface-exchange kinetics on (001)-oriented La 2–xSr xMO 4+δ (M = Co, Ni, Cu) thin films, we demonstrate here the capability of the theoretical bulk O 2p-band centers to correlate with oxygen surface-exchange kinetics of the Ruddlesden–Popper oxide (RP 214) (001)-oriented thin films. In addition, we demonstrate that the bulk O 2p-band centers can also correlate with the experimental activation energies for bulk oxygen transport and oxygen surface exchange of both the RP 214 and the perovskite polycrystalline materials reported in the literature, indicating the effectiveness of the bulk O 2p-bandmore » centers in describing the associated energetics and kinetics. Here, we propose that the opposite slopes of the bulk O 2p-band center correlations between the RP 214 and the perovskite materials are due to the intrinsic mechanistic differences of their oxygen surface-exchange kinetics bulk anionic transport.« less

Continuous epitaxial growth of extremely strong Cu6Sn5 textures at liquid-Sn/(111)Cu interface under temperature gradient

NASA Astrophysics Data System (ADS)

Zhong, Y.; Zhao, N.; Liu, C. Y.; Dong, W.; Qiao, Y. Y.; Wang, Y. P.; Ma, H. T.

2017-11-01

As the diameter of solder interconnects in three-dimensional integrated circuits (3D ICs) downsizes to several microns, how to achieve a uniform microstructure with thousands of interconnects on stacking chips becomes a critical issue in 3D IC manufacturing. We report a promising way for fabricating fully intermetallic interconnects with a regular grain morphology and a strong texture feature by soldering single crystal (111) Cu/Sn/polycrystalline Cu interconnects under the temperature gradient. Continuous epitaxial growth of η-Cu6Sn5 at cold end liquid-Sn/(111)Cu interfaces has been demonstrated. The resultant η-Cu6Sn5 grains show faceted prism textures with an intersecting angle of 60° and highly preferred orientation with their ⟨ 11 2 ¯ 0 ⟩ directions nearly paralleling to the direction of the temperature gradient. These desirable textures are maintained even after soldering for 120 min. The results pave the way for controlling the morphology and orientation of interfacial intermetallics in 3D packaging technologies.

Direct Synthesis of Anatase Films with ~100% (001) Facets and [001] Preferred Orientation.

PubMed

Ichimura, Andrew S; Mack, Brianne; Usmani, Shirin M; Mars, Diana

2012-06-26

Anatase films exhibiting ~100% (001) reactive facets at the surface were grown hydrothermally on gold substrate from a homogeneous solution of TiF(4) and NaF. In addition to NaF, it was found that TiO(2) films with very similar properties could be prepared with the fluoride salts LiF, CsF, HF, NH(4)F, and N(CH(2)CH(3))(4)F. The polycrystalline anatase films are continuous, approximately 1 μm thick, and evenly coat the substrate. The surface grain size is ~400 nm. Grazing angle XRD measurements show that the films exhibit a high degree of preferred orientation with the c-axis normal to the substrate surface. SEM images reveal that the grains span the thickness of the films. Annealing the films at 500 °C removes fluorine and causes crystallites within the grains to restructure as shown by SEM, XRD, and Raman spectroscopy. Supported anatase films grown from this one-pot method may serve as oxidative photocatalysts and electrodes for photoelectrochemical applications such as solar cells and hydrogen evolution.

Thin-film morphology of inkjet-printed single-droplet organic transistors using polarized Raman spectroscopy: effect of blending TIPS-pentacene with insulating polymer.

PubMed

James, David T; Kjellander, B K Charlotte; Smaal, Wiljan T T; Gelinck, Gerwin H; Combe, Craig; McCulloch, Iain; Wilson, Richard; Burroughes, Jeremy H; Bradley, Donal D C; Kim, Ji-Seon

2011-12-27

We report thin-film morphology studies of inkjet-printed single-droplet organic thin-film transistors (OTFTs) using angle-dependent polarized Raman spectroscopy. We show this to be an effective technique to determine the degree of molecular order as well as to spatially resolve the orientation of the conjugated backbones of the 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-Pentacene) molecules. The addition of an insulating polymer, polystyrene (PS), does not disrupt the π-π stacking of the TIPS-Pentacene molecules. Blending in fact improves the uniformity of the molecular morphology and the active layer coverage within the device and reduces the variation in molecular orientation between polycrystalline domains. For OTFT performance, blending enhances the saturation mobility from 0.22 ± 0.05 cm(2)/(V·s) (TIPS-Pentacene) to 0.72 ± 0.17 cm(2)/(V·s) (TIPS-Pentacene:PS) in addition to improving the quality of the interface between TIPS-Pentacene and the gate dielectric in the channel, resulting in threshold voltages of ∼0 V and steep subthreshold slopes.

Advanced fabrication of single-crystalline silver nanopillar on SiO{sub 2} substrate

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

Mori, Tomohiro, E-mail: tomohiro-mori@wakayama-kg.jp, E-mail: kenzo@eng.kagawa-u.ac.jp; Industrial Technology Center of Wakayama Prefecture, Ogura 60, Wakayama 649-6261; Tanaka, Yasuhiro

2016-01-25

Nanoscale crystallographic textures have received very little attention in research on surface plasmons using metallic nanostructures. A single-crystalline metallic nanostructure with a controlled crystallographic texture is expected to reduce optical losses. We elucidated the grain growth mechanism in silver thin films deposited on a highly transparent SiO{sub 2} substrate by electron backscatter diffraction methods with nanoscale resolution. At higher substrate temperatures, the grain growth was facilitated but the preferred orientation was not achieved. Moreover, we fabricated a single-crystalline silver nanopillar in a (111)-oriented large growing grain, which was controlled by varying the substrate temperature during film deposition by focused ion-beammore » milling. Furthermore, the light intensity of the scattering spectrum was measured for a single-crystalline silver nanopillar (undersurface diameter: 200 nm) for which surface plasmon resonance was observed. The single-crystalline silver nanopillar exhibits a stronger and sharper spectrum than the polycrystalline silver nanopillar. These results can be applied to the direct fabrication of a single-crystalline silver nanopillar using only physical processing.« less

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

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

Vayssieres, Lionel; Guo, Jinghua; Nordgren, Joseph

2001-06-30

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

Mechanisms of oriented attachment of TiO2 nanocrystals in vacuum and humid environments: reactive molecular dynamics.

PubMed

Raju, Muralikrishna; van Duin, Adri C T; Fichthorn, Kristen A

2014-01-01

Oriented attachment (OA) of nanocrystals is now widely recognized as a key process in the solution-phase growth of hierarchical nanostructures. However, the microscopic origins of OA remain unclear. We perform molecular dynamics simulations using a recently developed ReaxFF reactive force field to study the aggregation of various titanium dioxide (anatase) nanocrystals in vacuum and humid environments. In vacuum, the nanocrystals merge along their direction of approach, resulting in a polycrystalline material. By contrast, in the presence of water vapor the nanocrystals reorient themselves and aggregate via the OA mechanism to form a single or twinned crystal. They accomplish this by creating a dynamic network of hydrogen bonds between surface hydroxyls and surface oxygens of aggregating nanocrystals. We determine that OA is dominant on surfaces that have the greatest propensity to dissociate water. Our results are consistent with experiment, are likely to be general for aqueous oxide systems, and demonstrate the critical role of solvent in nanocrystal aggregation. This work opens up new possibilities for directing nanocrystal growth to fabricate nanomaterials with desired shapes and sizes.

Optimal Magnetorheological Fluid for Finishing of Chemical-Vapor-Deposited Zinc Sulfide

NASA Astrophysics Data System (ADS)

Salzman, Sivan

Magnetorheological finishing (MRF) of polycrystalline, chemical-vapor- deposited zinc sulfide (ZnS) optics leaves visible surface artifacts known as "pebbles". These artifacts are a direct result of the material's inner structure that consists of cone-like features that grow larger (up to a few millimeters in size) as deposition takes place, and manifest on the top deposited surface as "pebbles". Polishing the pebble features from a CVD ZnS substrate to a flat, smooth surface to below 10 nm root-mean-square is challenging, especially for a non-destructive polishing process such as MRF. This work explores ways to improve the surface finish of CVD ZnS processed with MRF through modification of the magnetorheological (MR) fluid's properties. A materials science approach is presented to define the anisotropy of CVD ZnS through a combination of chemical and mechanical experiments and theoretical predictions. Magnetorheological finishing experiments with single crystal samples of ZnS, whose cuts and orientations represent most of the facets known to occur in the polycrystalline CVD ZnS, were performed to explore the influence of material anisotropy on the material removal rate during MRF. By adjusting the fluid's viscosity, abrasive type concentration, and pH to find the chemo-mechanical conditions that equalize removal rates among all single crystal facets during MRF, we established an optimized, novel MR formulation to polish CVD ZnS without degrading the surface finish of the optic.

In situ SEM observation of microscale strain fields around a crack tip in polycrystalline molybdenum

NASA Astrophysics Data System (ADS)

Li, J. J.; Li, W. C.; Jin, Y. J.; Wang, L. F.; Zhao, C. W.; Xing, Y. M.; Lang, F. C.; Yan, L.; Yang, S. T.

2016-06-01

In situ scanning electron microscopy was employed to investigate the crack initiation and propagation in polycrystalline molybdenum under uniaxial tensile load at room temperature. The microscale grid pattern was fabricated using the sputtering deposition technology on the specimen surface covered with a fine square mesh copper grid. The microscale strain fields around the crack tip were measured by geometric phase analysis technique and compared with the theoretical solutions based on the linear elastic fracture mechanics theory. The results showed that as the displacement increases, the crack propagated mainly perpendicular to the tensile direction during the fracture process of molybdenum. The normal strain ɛ xx and shear strain ɛ xy are relatively small, and the normal strain ɛ yy holds a dominant position in the deformation fields and plays a key role in the whole fracture process of molybdenum. With the increase in displacement, the ɛ yy increases rapidly and the two lobes grow significantly but maintain the same shape and orientation. The experimental ɛ yy is in agreement with the theoretical solution. Along the x-axis in front of the crack tip, there is minor discrepancy between the experimental ɛ yy and theoretical ɛ yy within 25 μm from the crack tip, but the agreement between them is very good far from the crack tip (>25 μm).

Continuous modeling of a grain boundary in MgO and its disclination induced grain-boundary migration mechanism

NASA Astrophysics Data System (ADS)

Cordier, P.; Sun, X.; Taupin, V.; Fressengeas, C.

2016-12-01

Grain boundaries (GBs) are thin material layers where the lattice rotates from one orientation to the next one within a few nanometers. Because they treat these layers as infinitely thin interfaces, large-scale polycrystalline representations fail to describe their structure. Conversely, atomistic representations provide a detailed description of the GBs, but their character remains discrete and not prone to coarse-graining procedures. Continuum descriptions based on kinematic and crystal defect fields defined at interatomic scale are appealing because they can provide smooth and thorough descriptions of GBs, recovering in some sense the atomistic description and potentially serving as a basis for coarse-grained polycrystalline representations. In this work, a crossover between atomistic description and continuous representation of a MgO tilt boundary in polycrystals is set-up to model the periodic arrays of structural units by using dislocation and disclination dipole arrays along GBs. The strain, rotation, curvature, disclination and dislocation density fields are determined in the boundary area by using the discrete atomic positions generated by molecular dynamics simulations. Then, this continuous disclination/dislocation model is used as part of the initial conditions in elasto-plastic continuum mechanics simulations to investigate the shear-coupled boundary migration of tilt boundaries. The present study leads to better understanding of the structure and mechanical architecture of grain boundaries.

Tunable growth of TiO2 nanostructures on Ti substrates

NASA Astrophysics Data System (ADS)

Peng, Xinsheng; Wang, Jingpeng; Thomas, Dan F.; Chen, Aicheng

2005-10-01

A simple and facile method is described to directly synthesize TiO2 nanostructures on titanium substrates by oxidizing Ti foil using small organic molecules as the oxygen source. The effect of reaction temperature and oxygen source on the formation of the TiO2 nanostructures has been studied using scanning electron microscopy, x-ray diffraction, transmission electron microscopy, Raman spectroscopy and water contact angle measurement. Polycrystalline grains are formed when pure oxygen and formic acid are used as the oxygen source; elongated micro-crystals are produced when water vapour is used as the oxygen source; oriented and aligned TiO2 nanorod arrays are synthesized when ethanol, acetaldehyde or acetone are used as the oxygen source. The growth mechanism of the TiO2 nanostructures is discussed. The diffusion of Ti atoms to the oxide/gas interface via the network of the grain boundaries of the thin oxide layer is the determining factor for the formation of well-aligned TiO2 nanorod arrays. The wetting properties of the TiO2 nanostructured surfaces formed are dictated by their structure, varying from a hydrophilic surface to a strongly hydrophobic surface as the surface structure changes from polycrystalline grains to well-aligned nanorod arrays. This tunable growth of TiO2 nanostructures is desirable for promising applications of TiO2 nanostructures in the development of optical devices, sensors, photo-catalysts and self-cleaning coatings.

Investigation of nucleation processes during dynamic recrystallization of ice using cryo-EBSD.

PubMed

Chauve, T; Montagnat, M; Barou, F; Hidas, K; Tommasi, A; Mainprice, D

2017-02-13

Nucleation mechanisms occurring during dynamic recrystallization play a crucial role in the evolution of microstructures and textures during high temperature deformation. In polycrystalline ice, the strong viscoplastic anisotropy induces high strain heterogeneities between grains which control the recrystallization mechanisms. Here, we study the nucleation mechanisms occurring during creep tests performed on polycrystalline columnar ice at high temperature and stress (T=-5°C;σ=0.5 MPa) by post-mortem analyses of deformation microstructures using cryogenic electron backscatter diffraction. The columnar geometry of the samples enables discrimination of the nuclei from the initial grains. Various nucleation mechanisms are deduced from the analysis of the nuclei relations with the dislocation sub-structures within grains and at grain boundaries. Tilt sub-grain boundaries and kink bands are the main structures responsible for development of polygonization and mosaic sub-structures. Nucleation by bulging at serrated grain boundaries is also an efficient nucleation mechanism near the grain boundaries where strain incompatibilities are high. Observation of nuclei with orientations not related to the 'parent' ones suggests the possibility of 'spontaneous' nucleation driven by the relaxation of the dislocation-related internal stress field. The complexity of the nucleation mechanisms observed here emphasizes the impact of stress and strain heterogeneities on dynamic recrystallization mechanisms.This article is part of the themed issue 'Microdynamics of ice'. © 2016 The Author(s).

Investigation of nucleation processes during dynamic recrystallization of ice using cryo-EBSD

PubMed Central

Barou, F.; Hidas, K.; Tommasi, A.; Mainprice, D.

2017-01-01

Nucleation mechanisms occurring during dynamic recrystallization play a crucial role in the evolution of microstructures and textures during high temperature deformation. In polycrystalline ice, the strong viscoplastic anisotropy induces high strain heterogeneities between grains which control the recrystallization mechanisms. Here, we study the nucleation mechanisms occurring during creep tests performed on polycrystalline columnar ice at high temperature and stress (T=−5°C;σ=0.5 MPa) by post-mortem analyses of deformation microstructures using cryogenic electron backscatter diffraction. The columnar geometry of the samples enables discrimination of the nuclei from the initial grains. Various nucleation mechanisms are deduced from the analysis of the nuclei relations with the dislocation sub-structures within grains and at grain boundaries. Tilt sub-grain boundaries and kink bands are the main structures responsible for development of polygonization and mosaic sub-structures. Nucleation by bulging at serrated grain boundaries is also an efficient nucleation mechanism near the grain boundaries where strain incompatibilities are high. Observation of nuclei with orientations not related to the ‘parent’ ones suggests the possibility of ‘spontaneous’ nucleation driven by the relaxation of the dislocation-related internal stress field. The complexity of the nucleation mechanisms observed here emphasizes the impact of stress and strain heterogeneities on dynamic recrystallization mechanisms. This article is part of the themed issue ‘Microdynamics of ice’. PMID:28025294

Predicting bending stiffness of randomly oriented hybrid panels

Treesearch

Laura Moya; William T.Y. Tze; Jerrold E. Winandy

2010-01-01

This study was conducted to develop a simple model to predict the bending modulus of elasticity (MOE) of randomly oriented hybrid panels. The modeling process involved three modules: the behavior of a single layer was computed by applying micromechanics equations, layer properties were adjusted for densification effects, and the entire panel was modeled as a three-...

Ionic conductivity and dielectric relaxation in Y doped La2Mo2O9 oxide-ion conductors

NASA Astrophysics Data System (ADS)

Paul, T.; Ghosh, A.

2014-10-01

In this work, we have studied electrical conductivity and dielectric properties of polycrystalline La2-xYxMo2O9 (0.05 ≤ x ≤ 0.3) compounds in the temperature range from 358 K to 1088 K and the frequency range from 10 Hz to 3 GHz. The bulk and grain boundary contributions to the overall conductivity of these compounds show Arrhenius type behavior at low temperatures. The random free-energy barrier model has been used to analyze the frequency dependence of the conductivity. The charge carrier relaxation time and its activation energy have been determined from the analysis of the conductivity spectra using this model. The results obtained from the random free-energy barrier model satisfy Barton-Nakajima-Namikawa relation. The conduction mechanism has been also predicted using random free-energy barrier model and the scaling formalism. We have observed that the dielectric relaxation peaks arise from the diffusion of oxygen ions via vacancies.

Growth and magnetoelectric properties of (00l)-oriented La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} heterostructure films

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

Yan, Fuxue, E-mail: yanfuxue@126.com; Han, Kai, E-

2017-02-15

C-axis oriented La{sub 0.67}Sr{sub 0.33}MnO{sub 3}(LSMO)/PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}(PZT) films are fabricated successfully by sol-gel method on LaAlO{sub 3} (00l) substrates. The structure, composition and morphology of the films are investigated by X-ray diffractometer (XRD, θ-2θ scan, ω-scan and ϕ-scan), X-ray photoelectron spectroscope (XPS), field emission scanning electron microscope (FESEM) and high resolution transmission electron microscope (HRTEM). The electric and magnetic properties of randomly and c-axis oriented LSMO/PZT films are studied comparably using ferroelectric testing apparatus and physical property measurement system (PPMS). It is found that the epitaxial LSMO/PZT composite films show well controlled growth along c-axis, and much bettermore » magnetoelectric properties than the randomly oriented ones. The ME voltage coefficient increases from 23 mV cm{sup −1} Oe{sup −1} for the randomly oriented LSMO/PZT composite films to 52 mV cm{sup −1} Oe{sup −1} for c-axis oriented ones prepared using the low cost sol-gel method presented in this study, which shows high potential in promising applications. - Highlights: •Epitaxial LSMO/PZT films were fabricated successfully by sol-gel method on LAO (00l) substrate. •The prepared films exhibit well-defined multiferroic properties for the epitaxial LSMO/PZT films. •Epitaxial LSMO/PZT films show superior magnetoelectric properties to the randomly oriented ones.« less

Scattering by randomly oriented ellipsoids: Application to aerosol and cloud problems

NASA Technical Reports Server (NTRS)

Asano, S.; Sato, M.; Hansen, J. E.

1979-01-01

A program was developed for computing the scattering and absorption by arbitrarily oriented and randomly oriented prolate and oblate spheroids. This permits examination of the effect of particle shape for cases ranging from needles through spheres to platelets. Applications of this capability to aerosol and cloud problems are discussed. Initial results suggest that the effect of nonspherical particle shape on transfer of radiation through aerosol layers and cirrus clouds, as required for many climate studies, can be readily accounted for by defining an appropriate effective spherical particle radius.

A multi-scale homogenization model for fine-grained porous viscoplastic polycrystals: II - Applications to FCC and HCP materials

NASA Astrophysics Data System (ADS)

Song, Dawei; Ponte Castañeda, P.

2018-06-01

In Part I of this work (Song and Ponte Castañeda, 2018a), a new homogenization model was developed for the macroscopic behavior of three-scale porous polycrystals consisting of random distributions of large pores in a fine-grained polycrystalline matrix. In this second part, the model is used to investigate both the instantaneous effective behavior and the finite-strain macroscopic response of porous FCC and HCP polycrystals for axisymmetric loading conditions. The stress triaxiality and Lode parameter are found to have significant effects on the evolution of the substructure, which in turn have important implications for the overall hardening/softening behavior of the porous polycrystal. The intrinsic effect of the texture evolution of the polycrystalline matrix is inferred by appropriate comparisons with corresponding results for porous isotropic materials, and found to be significant, especially at low triaxialities. In particular, the predictions of the model identify, for the first time, two disparate regimes for the macroscopic response of porous polycrystals: a porosity-controlled regime at high triaxialities, and a texture-controlled regime at low triaxialities. The transition between these two regimes is found to be quite sharp, taking place between triaxialities of 1 and 2.

The effect of SiO2, Pt, and Pt /Au templates on the microstructure and permittivity of BaxSr1-xTiO3 films

NASA Astrophysics Data System (ADS)

Rundqvist, Pär; Liljenfors, Tomas; Vorobiev, Andrei; Olsson, Eva; Gevorgian, Spartak

2006-12-01

Ba0.25Sr0.75TiO3 (BSTO) and SrTiO3 (STO) ferroelectric thin films were grown on templates of SiO2/Si, Pt /TiO2/SiO2/Si, and Pt /Au/Pt/TiO2/SiO2/Si using pulsed laser deposition. The microstructure and surface morphology of the multilayer stacks were studied using x-ray diffraction, atomic force microscopy, and transmission electron microscopy. The microstructural analysis shows that the ferroelectric films are polycrystalline textured with a columnar structure where the grain size is 50-100nm. The BSTO films deposited at 800°C on an amorphous SiO2/Si template reveal a textured structure with a dominant (110) orientation, which is explained by a dominant growth of BSTO (110) grains due to the lower surface energy of the (110) phase. The STO and BSTO films deposited at 650°C on the Pt /TiO2/SiO2/Si and Pt /Au/Pt/TiO2/SiO2/Si templates, respectively, reveal a structure with a dominant (111) orientation, which is explained by the dominant growth of BSTO (STO) (111) grains imposed by the underlying Pt (111) texture. In all cases the ferroelectric films are subject to compressive in-plane strain which is different for different grain orientations. Strain modified permittivities of ferroelectric films grown on different templates are calculated from first principles for different orientations and compared with measured results. The correlations between grain orientations, grain sizes, grain boundaries, strain, and dielectric permittivity of ferroelectric films on different templates are discussed.

Synthesis of Cubic-Shaped Pt Particles with (100) Preferential Orientation by a Quick, One-Step and Clean Electrochemical Method.

PubMed

Liu, Jie; Fan, Xiayue; Liu, Xiaorui; Song, Zhishuang; Deng, Yida; Han, Xiaopeng; Hu, Wenbin; Zhong, Cheng

2017-06-07

A new approach has been developed for in situ preparing cubic-shaped Pt particles with (100) preferential orientation on the surface of the conductive support by using a quick, one-step, and clean electrochemical method with periodic square-wave potential. The whole electrochemical deposition process is very quick (only 6 min is required to produce cubic Pt particles), without the use of particular capping agents. The shape and the surface structure of deposited Pt particles can be controlled by the lower and upper potential limits of the square-wave potential. For a frequency of 5 Hz and an upper potential limit of 1.0 V (vs saturated calomel electrode), as the lower potential limit decreases to the H adsorption potential region, the Pt deposits are changed from nearly spherical particles to cubic-shaped (100)-oriented Pt particles. High-resolution transmission electron microscopy and selected-area electron diffraction reveal that the formed cubic Pt particles are single-crystalline and enclosed by (100) facets. Cubic Pt particles exhibit characteristic H adsorption/desorption peaks corresponding to the (100) preferential orientation. Ge irreversible adsorption indicates that the fraction of wide Pt(100) surface domains is 47.8%. The electrocatalytic activities of different Pt particles are investigated by ammonia electro-oxidation, which is particularly sensitive to the amount of Pt(100) sites, especially larger (100) domains. The specific activity of cubic Pt particles is 3.6 times as high as that of polycrystalline spherical Pt particles, again confirming the (100) preferential orientation of Pt cubes. The formation of cubic-shaped Pt particles is related with the preferential electrochemical deposition and dissolution processes of Pt, which are coupled with the periodic desorption and adsorption processes of O-containing species and H adatoms.

Children's Engagement and Competence in Personal Recollection: Effects of Parents' Reminiscing Goals

ERIC Educational Resources Information Center

Cleveland, Emily Sutcliffe; Reese, Elaine; Grolnick, Wendy S.

2007-01-01

Parents' goal orientations in parent-child reminiscing were examined in this study, where 28 preschoolers (mean age = 46 months) experienced a standardized event. Dyads discussed the event that evening, with parents randomly assigned to either an "outcome-oriented" or a "process-oriented" condition. Outcome-oriented parents, who were told that…

Modeling and Predicting the Stress Relaxation of Composites with Short and Randomly Oriented Fibers

PubMed Central

Obaid, Numaira; Sain, Mohini

2017-01-01

The addition of short fibers has been experimentally observed to slow the stress relaxation of viscoelastic polymers, producing a change in the relaxation time constant. Our recent study attributed this effect of fibers on stress relaxation behavior to the interfacial shear stress transfer at the fiber-matrix interface. This model explained the effect of fiber addition on stress relaxation without the need to postulate structural changes at the interface. In our previous study, we developed an analytical model for the effect of fully aligned short fibers, and the model predictions were successfully compared to finite element simulations. However, in most industrial applications of short-fiber composites, fibers are not aligned, and hence it is necessary to examine the time dependence of viscoelastic polymers containing randomly oriented short fibers. In this study, we propose an analytical model to predict the stress relaxation behavior of short-fiber composites where the fibers are randomly oriented. The model predictions were compared to results obtained from Monte Carlo finite element simulations, and good agreement between the two was observed. The analytical model provides an excellent tool to accurately predict the stress relaxation behavior of randomly oriented short-fiber composites. PMID:29053601

Face perception is tuned to horizontal orientation in the N170 time window.

PubMed

Jacques, Corentin; Schiltz, Christine; Goffaux, Valerie

2014-02-07

The specificity of face perception is thought to reside both in its dramatic vulnerability to picture-plane inversion and its strong reliance on horizontally oriented image content. Here we asked when in the visual processing stream face-specific perception is tuned to horizontal information. We measured the behavioral performance and scalp event-related potentials (ERP) when participants viewed upright and inverted images of faces and cars (and natural scenes) that were phase-randomized in a narrow orientation band centered either on vertical or horizontal orientation. For faces, the magnitude of the inversion effect (IE) on behavioral discrimination performance was significantly reduced for horizontally randomized compared to vertically or nonrandomized images, confirming the importance of horizontal information for the recruitment of face-specific processing. Inversion affected the processing of nonrandomized and vertically randomized faces early, in the N170 time window. In contrast, the magnitude of the N170 IE was much smaller for horizontally randomized faces. The present research indicates that the early face-specific neural representations are preferentially tuned to horizontal information and offers new perspectives for a description of the visual information feeding face-specific perception.

Individual analysis of inter and intragrain defects in electrically characterized polycrystalline silicon nanowire TFTs by multicomponent dark-field imaging based on nanobeam electron diffraction two-dimensional mapping

NASA Astrophysics Data System (ADS)

Asano, Takanori; Takaishi, Riichiro; Oda, Minoru; Sakuma, Kiwamu; Saitoh, Masumi; Tanaka, Hiroki

2018-04-01

We visualize the grain structures for individual nanosized thin film transistors (TFTs), which are electrically characterized, with an improved data processing technique for the dark-field image reconstruction of nanobeam electron diffraction maps. Our individual crystal analysis gives the one-to-one correspondence of TFTs with different grain boundary structures, such as random and coherent boundaries, to the characteristic degradations of ON-current and threshold voltage. Furthermore, the local crystalline uniformity inside a single grain is detected as the difference in diffraction intensity distribution.

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

Tomai, S.; Graduate School of Material Science, Nara Institute of Science and Technology, 8916-5, Takayama-cho, Ikoma, Nara 6300192; Terai, K.

We have developed a high-mobility and high-uniform oxide semiconductor using poly-crystalline semiconductor material composed of indium and zinc (p-IZO). A typical conduction mechanism of p-IZO film was demonstrated by the grain boundary scattering model as in polycrystalline silicon. The grain boundary potential of the 2-h-annealed IZO film was calculated to be 100 meV, which was comparable to that of the polycrystalline silicon. However, the p-IZO thin film transistor (TFT) measurement shows rather uniform characteristics. It denotes that the mobility deterioration around the grain boundaries is lower than the case for low-temperature polycrystalline silicon. This assertion was made based on the differencemore » of the mobility between the polycrystalline and amorphous IZO film being much smaller than is the case for silicon transistors. Therefore, we conclude that the p-IZO is a promising material for a TFT channel, which realizes high drift mobility and uniformity simultaneously.« less

Process Research on Polycrystalline Silicon Material (PROPSM)

NASA Technical Reports Server (NTRS)

Culik, J. S.

1983-01-01

The performance limiting mechanisms in large grain (greater than 1-2 mm in diameter) polycrystalline silicon was investigated by measuring the illuminated current voltage (I-V) characteristics of the minicell wafer set. The average short circuit current on different wafers is 3 to 14 percent lower than that of single crystal Czochralski silicon. The scatter was typically less than 3 percent. The average open circuit voltage is 20 to 60 mV less than that of single crystal silicon. The scatter in the open circuit voltage of most of the polycrystalline silicon wafers was 15 to 20 mV, although two wafers had significantly greater scatter than this value. The fill factor of both polycrystalline and single crystal silicon cells was typically in the range of 60 to 70 percent; however several polycrystalline silicon wafers have fill factor averages which are somewhat lower and have a significantly larger degree of scatter.

Flake Orientation Effects On Physical and Mechanical Properties of Sweetgum Flakeboard

Treesearch

T.F. Shupe; Chung-Yun Hse; E.W. Price

2001-01-01

Research was initiated to determine the effect of flake orientation on the physical and mechanical properties offlakeboard. The panel fabrication techniques investigated were single-layer panels with random and oriented flake distribution, three-layer, five-layer, and seven-layer panels. Single-layer oriented panels had panel directional property ratios of 11.8 and 12....

Scattering from randomly oriented circular discs with application to vegetation

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1984-01-01

A vegetation layer is modeled by a collection of randomly oriented circular discs over a half space. The backscattering coefficient from such a half space is computed using the radiative transfer theory. It is shown that significantly different results are obtained from this theory as compared with some earlier investigations using the same modeling approach but with restricted disc orientations. In particular, the backscattered cross polarized returns cannot have a fast increasing angular trend which is inconsistent with measurements. By setting the appropriate angle of orientation to zero the theory reduces to previously published results. Comparisons are shown with measurements taken from milo, corn and wheat and good agreements are obtained for both polarized and cross polarized returns.

Scattering from randomly oriented circular discs with application to vegetation

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1983-01-01

A vegetation layer is modeled by a collection of randomly oriented circular discs over a half space. The backscattering coefficient from such a half space is computed using the radiative transfer theory. It is shown that significantly different results are obtained from this theory as compared with some earlier investigations using the same modeling approach but with restricted disc orientations. In particular, the backscattered cross-polarized returns cannot have a fast increasing angular trend which is inconsistent with measurements. By setting the appropriate angle of orientation to zero the theory reduces to previously published results. Comparisons are shown with measurements taken from milo, corn and wheat and good agreements are obtained for both polarized and cross-polarized returns.

Critical role of the coupling between the octahedral rotation and A -site ionic displacements in PbZr O3 -based antiferroelectric materials investigated by in situ neutron diffraction

NASA Astrophysics Data System (ADS)

Lu, Teng; Studer, Andrew J.; Yu, Dehong; Withers, Ray L.; Feng, Yujun; Chen, Hua; Islam, S. S.; Xu, Zhuo; Liu, Yun

2017-12-01

This in situ neutron-diffraction study on antiferroelectric (AFE) P b0.99(N b0.02Z r0.65S n0.28T i0.05 ) O3 polycrystalline materials describes systematic structural and associated preferred orientation changes as a function of applied electric field and temperature. It is found that the pristine AFE phase can be poled into the metastable ferroelectric (FE) phase at room temperature. At this stage, both AFE and FE phases consist of modes associated with octahedral rotation and A -site ionic displacements. The temperature-induced phase transition indicates that the octahedral rotation and ionic displacements are weakly coupled in the room-temperature FE phase and decoupled in the high-temperature FE phase. However, both temperature and E -field-induced phase transitions between the AFE and high-temperature FE phase demonstrate the critical role of coupling between octahedral rotation and A -site ionic displacements in stabilizing the AFE structure, which provides not only experimental evidence to support previous theoretical calculations, but also an insight into the design and development of AFE materials. Moreover, the associated preferred orientation evolution in both AFE and FE phases is studied during the phase transitions. It is found that the formation of the preferred orientation can be controlled to tune the samples' FE and AFE properties.

An anisotropic elastoplasticity model implemented in FLAG

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

Buechler, Miles Allen; Canfield, Thomas R.

2017-10-12

Many metals, including Tantalum and Zirconium, exhibit anisotropic elastoplastic behavior at the single crystal level, and if components are manufactured from these metals through forming processes the polycrystal (component) may also exhibit anisotropic elastoplastic behavior. This is because the forming can induce a preferential orientation of the crystals in the polycrystal. One example is a rolled plate of Uranium where the sti /strong orientation of the crystal (c-axis) tends to align itself perpendicular to the rolling direction. If loads are applied to this plate in di erent orientations the sti ness as well as the ow strength of the materialmore » will be greater in the through thickness direction than in other directions. To better accommodate simulations of such materials, an anisotropic elastoplasticity model has been implemented in FLAG. The model includes an anisotropic elastic stress model as well as an anisotropic plasticity model. The model could represent single crystals of any symmetry, though it should not be confused with a high- delity crystal plasticity model with multiple slip planes and evolutions. The model is most appropriate for homogenized polycrystalline materials. Elastic rotation of the material due to deformation is captured, so the anisotropic models are appropriate for arbitrary large rotations, but currently they do not account for signi cant change in material texture beyond the elastic rotation of the entire polycrystal.« less

The Role of Poly(Aspartic Acid) in the Precipitation of Calcium Phosphate in Confinement

PubMed Central

Cantaert, Bram; Beniash, Elia

2013-01-01

Many questions remain regarding the formation of ultrathin hydroxapatite (HAP) crystals within the confines of collagen fibrils of bones. These structures form through the interplay of the collagen matrix and non-collagenous proteins, and in vitro mineralization studies employing poly(aspartic acid) (PAsp) as a mimic of the non-collagenous proteins have generated mineralized fibrils with structures comparable to their biogenic counterparts. In this article, we employ the nanoscale cylindrical pores perforating track-etch filtration membranes to investigate the role of PAsp in controlling the infiltration and crystallization of calcium phosphate (CaP) within confined volumes. Oriented polycrystalline HAP and non-oriented octacalcium phosphate (OCP) rods precipitated within the membrane pores via an amorphous calcium phosphate (ACP) precursor, where PAsp increased the proportion of OCP rods. Further, ACP crystallized faster within the membranes than in bulk solution when PAsp was present, suggesting that PAsp inhibits crystallization in solution, but promotes it when bound to a substrate. Finally, in contrast to the collagen system, PAsp reduced the yield of intra-membrane mineral and failed to enhance infiltration. This suggests that a specific interaction between the collagen matrix and ACP/PAsp precursor particles drives effective infiltration. Thus, while orientation of HAP crystals can be achieved by confinement alone, the chemistry of the collagen matrix is necessary for efficient mineralisation with CaP. PMID:24409343

The Role of Poly(Aspartic Acid) in the Precipitation of Calcium Phosphate in Confinement.

PubMed

Cantaert, Bram; Beniash, Elia; Meldrum, Fiona C

2013-12-28

Many questions remain regarding the formation of ultrathin hydroxapatite (HAP) crystals within the confines of collagen fibrils of bones. These structures form through the interplay of the collagen matrix and non-collagenous proteins, and in vitro mineralization studies employing poly(aspartic acid) (PAsp) as a mimic of the non-collagenous proteins have generated mineralized fibrils with structures comparable to their biogenic counterparts. In this article, we employ the nanoscale cylindrical pores perforating track-etch filtration membranes to investigate the role of PAsp in controlling the infiltration and crystallization of calcium phosphate (CaP) within confined volumes. Oriented polycrystalline HAP and non-oriented octacalcium phosphate (OCP) rods precipitated within the membrane pores via an amorphous calcium phosphate (ACP) precursor, where PAsp increased the proportion of OCP rods. Further, ACP crystallized faster within the membranes than in bulk solution when PAsp was present, suggesting that PAsp inhibits crystallization in solution, but promotes it when bound to a substrate. Finally, in contrast to the collagen system, PAsp reduced the yield of intra-membrane mineral and failed to enhance infiltration. This suggests that a specific interaction between the collagen matrix and ACP/PAsp precursor particles drives effective infiltration. Thus, while orientation of HAP crystals can be achieved by confinement alone, the chemistry of the collagen matrix is necessary for efficient mineralisation with CaP.

An optimal thermal evaporation synthesis of c-axis oriented ZnO nanowires with excellent UV sensing and emission characteristics

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

Saha, Tridib, E-mail: tridib.saha@monash.edu; Achath Mohanan, Ajay, E-mail: ajay.mohanan@monash.edu; Swamy, Varghese, E-mail: varghese.swamy@monash.edu

Highlights: • c-Axis alignment of ZnO nanowires was optimized using self-seeding thermal evaporation method. • Influence of purified air on the morphology and optoelectronic properties were studied. • Nanowires grown under optimal conditions exhibit strong UV emission peak in PL spectrum. • Optimized growth condition establish nanowires of excellent UV sensing characteristics - Abstract: Well-aligned (c-axis oriented) ZnO nanowire arrays were successfully synthesized on Si (1 0 0) substrates through an optimized self-seeding thermal evaporation method. An open-ended chemical vapor deposition (CVD) setup was used in the experiment, with argon and purified air as reaction gases. Epitaxial growth of c-axismore » oriented ZnO nanowires was observed for 5 sccm flow rate of purified air, whereas Zn/Zn suboxide layers and multiple polycrystalline layers of ZnO were obtained for absence and excess of purified air, respectively. Ultraviolet (UV) sensing and emission properties of the as-grown ZnO nanostructures were investigated through the current–voltage (I–V) characteristics of the nanowires under UV (λ = 365 nm) illumination of 8 mW/cm{sup 2} and using photoluminescence spectra. Nanowires grown under optimum flow of air emitted four times higher intensity of 380 nm UV light as well as exhibited 34 times higher UV radiation sensitivity compared to that of other nanostructures synthesized in this study.« less

Have You Been Oriented? An Analysis of New Student Orientation and E-Orientation Programs at U.S. Community Colleges

ERIC Educational Resources Information Center

Chan, Matthew

2017-01-01

This study provides an overview and a snapshot of new student orientation (NSO) and new student e-orientation (NSEO) programs, with a focus on the content and feature analysis of the NSEOs. It offers an overview of currently available NSO programs of 100 randomly selected community colleges from a master list of nearly 900 community colleges in…

Polycrystalline ferroelectric or multiferroic oxide articles on biaxially textured substrates and methods for making same

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

Goyal, Amit; Shin, Junsoo

A polycrystalline ferroelectric and/or multiferroic oxide article includes a substrate having a biaxially textured surface; at least one biaxially textured buffer layer supported by the substrate; and a biaxially textured ferroelectric or multiferroic oxide layer supported by the buffer layer. Methods for making polycrystalline ferroelectric and/or multiferroic oxide articles are also disclosed.

Atomistic modeling of mechanical properties of polycrystalline graphene.

PubMed

Mortazavi, Bohayra; Cuniberti, Gianaurelio

2014-05-30

We performed molecular dynamics (MD) simulations to investigate the mechanical properties of polycrystalline graphene. By constructing molecular models of ultra-fine-grained graphene structures, we studied the effect of different grain sizes of 1-10 nm on the mechanical response of graphene. We found that the elastic modulus and tensile strength of polycrystalline graphene decrease with decreasing grain size. The calculated mechanical proprieties for pristine and polycrystalline graphene sheets are found to be in agreement with experimental results in the literature. Our MD results suggest that the ultra-fine-grained graphene structures can show ultrahigh tensile strength and elastic modulus values that are very close to those of pristine graphene sheets.

Synthesis and optical properties of polycrystalline Li2Al2B2O7 (LABO)

NASA Astrophysics Data System (ADS)

Dagdale, S. R.; Muley, G. G.

2016-05-01

A polycrystalline lithium aluminum borate (Li2Al2B2O7, LABO) has been synthesized by using simple solid-state technique. The obtained LABO polycrystalline was characterized by powder X-ray diffraction; Fourier transform infrared (FT-IR) spectroscopy and second harmonic generation (SHG) efficiency measurement. The functional groups were identified using the FT-IR spectroscopic data. The SHG efficiency of the polycrystalline material was obtained by the classic Kurtz powder technique using a fundamental wavelength 1064 nm of Nd:YAG laser and it is found to be 1.4 times that of potassium dihydrogen phosphate (KDP).

Enhanced ferro-and piezoelectric properties of Bi4Ti3O12-CaBi4Ti4O15 thin film on Pt(111)/Ti/SiO2/Si substrate

NASA Astrophysics Data System (ADS)

Yan, J.; Hu, G. D.

2018-05-01

Bi4Ti3O12-CaBi4Ti4O15 (BT-CBTi) film was fabricated on Pt(111)/Ti/SiO2/Si substrate by the sol-gel method. The intergrowth structure was demonstrated to be obtained both in the film and corresponding powder sample according to x-ray diffraction (XRD) patterns. The good fatigue resistance as well as a strong charge-retaining ability can be obtained in the intergrowth BT-CBTi film. The remanent polarization (P r ) and coercive field (E c ) for BT-CBTi film was about 28 μC cm‑2 and 150 kV cm‑1 under an electric field of 540 kV cm‑1, respectively. The P r value of purely (100)-oriented BT-CBTi film can be roughly estimated to be higher than 50 μC cm‑2 based on both the volume fraction of (100)-oriented grains and the piezoelectric properties. The P r value of BT-CBTi film is about 50 μC cm‑2 under an electric field of 1100 kV cm‑1 in predominently (100)-oriented BT-CBTi film. It means that it is reasonable to predict the performance of (100)-oriented BT-CBTi films based on the ferroelectric and piezoelectric properties of the polycrystalline BT-CBTi film. The spontaneous polarization is larger than 80 μC cm‑2 under an electric field of 1100 kV cm‑1.

Orientation dependent ionization potential of In2O3: a natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics.

PubMed

Hohmann, Mareike V; Ágoston, Péter; Wachau, André; Bayer, Thorsten J M; Brötz, Joachim; Albe, Karsten; Klein, Andreas

2011-08-24

The ionization potentials of In(2)O(3) films grown epitaxially by magnetron sputtering on Y-stabilized ZrO(2) substrates with (100) and (111) surface orientation are determined using photoelectron spectroscopy. Epitaxial growth is verified using x-ray diffraction. The observed ionization potentials, which directly affect the work functions, are in good agreement with ab initio calculations using density functional theory. While the (111) surface exhibits a stable surface termination with an ionization potential of ∼ 7.0 eV, the surface termination and the ionization potential of the (100) surface depend strongly on the oxygen chemical potential. With the given deposition conditions an ionization potential of ∼ 7.7 eV is obtained, which is attributed to a surface termination stabilized by oxygen dimers. This orientation dependence also explains the lower ionization potentials observed for In(2)O(3) compared to Sn-doped In(2)O(3) (ITO) (Klein et al 2009 Thin Solid Films 518 1197-203). Due to the orientation dependent ionization potential, a polycrystalline ITO film will exhibit a laterally varying work function, which results in an inhomogeneous charge injection into organic semiconductors when used as electrode material. The variation of work function will become even more pronounced when oxygen plasma or UV-ozone treatments are performed, as an oxidation of the surface is only possible for the (100) surface. The influence of the deposition technique on the formation of stable surface terminations is also discussed. © 2011 IOP Publishing Ltd

Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

NASA Technical Reports Server (NTRS)

Arakere, Nagaraj K.; Swanson, Gregory R.

2000-01-01

High Cycle Fatigue (HCF) induced failures in aircraft gas-turbine engines is a pervasive problem affecting a wide range of components and materials. HCF is currently the primary cause of component failures in gas turbine aircraft engines. Turbine blades in high performance aircraft and rocket engines are increasingly being made of single crystal nickel superalloys. Single-crystal Nickel-base superalloys were developed to provide superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys previously used in the production of turbine blades and vanes. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. PWA1493, identical to PWA1480, but with tighter chemical constituent control, is used in the NASA SSME (Space Shuttle Main Engine) alternate turbopump, a liquid hydrogen fueled rocket engine. Objectives for this paper are motivated by the need for developing failure criteria and fatigue life evaluation procedures for high temperature single crystal components, using available fatigue data and finite element modeling of turbine blades. Using the FE (finite element) stress analysis results and the fatigue life relations developed, the effect of variation of primary and secondary crystal orientations on life is determined, at critical blade locations. The most advantageous crystal orientation for a given blade design is determined. Results presented demonstrates that control of secondary and primary crystallographic orientation has the potential to optimize blade design by increasing its resistance to fatigue crack growth without adding additional weight or cost.

Preferential orientation relationships in Ca{sub 2}MnO{sub 4} Ruddlesden-Popper thin films

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

Lacotte, M.; David, A.; Prellier, W., E-mail: wilfrid.prellier@ensicaen.fr

2015-07-28

A high-throughput investigation of local epitaxy (called combinatorial substrate epitaxy) was carried out on Ca{sub 2}MnO{sub 4} Ruddlesden-Popper thin films of six thicknesses (from 20 to 400 nm), all deposited on isostructural polycrystalline Sr{sub 2}TiO{sub 4} substrates. Electron backscatter diffraction revealed grain-over-grain local epitaxial growth for all films, resulting in a single orientation relationship (OR) for each substrate-film grain pair. Two preferred epitaxial ORs accounted for more than 90% of all ORs on 300 different microcrystals, based on analyzing 50 grain pairs for each thickness. The unit cell over unit cell OR ([100][001]{sub film} ∥ [100][001]{sub substrate}, or OR1) accounted formore » approximately 30% of each film. The OR that accounted for 60% of each film ([100][001]{sub film} ∥ [100][010]{sub substrate}, or OR2) corresponds to a rotation from OR1 by 90° about the a-axis. OR2 is strongly favored for substrate orientations in the center of the stereographic triangle, and OR1 is observed for orientations very close to (001) or to those near the edge connecting (100) and (110). While OR1 should be lower in energy, the majority observation of OR2 implies kinetic hindrances decrease the frequency of OR1. Persistent grain over grain growth and the absence of variations of the OR frequencies with thickness implies that the growth competition is finished within the first few nm, and local epitaxy persists thereafter during growth.« less

Electromagnetic wave extinction within a forested canopy

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1989-01-01

A forested canopy is modeled by a collection of randomly oriented finite-length cylinders shaded by randomly oriented and distributed disk- or needle-shaped leaves. For a plane wave exciting the forested canopy, the extinction coefficient is formulated in terms of the extinction cross sections (ECSs) in the local frame of each forest component and the Eulerian angles of orientation (used to describe the orientation of each component). The ECSs in the local frame for the finite-length cylinders used to model the branches are obtained by using the forward-scattering theorem. ECSs in the local frame for the disk- and needle-shaped leaves are obtained by the summation of the absorption and scattering cross-sections. The behavior of the extinction coefficients with the incidence angle is investigated numerically for both deciduous and coniferous forest. The dependencies of the extinction coefficients on the orientation of the leaves are illustrated numerically.

Random waves in the brain: Symmetries and defect generation in the visual cortex

NASA Astrophysics Data System (ADS)

Schnabel, M.; Kaschube, M.; Löwel, S.; Wolf, F.

2007-06-01

How orientation maps in the visual cortex of the brain develop is a matter of long standing debate. Experimental and theoretical evidence suggests that their development represents an activity-dependent self-organization process. Theoretical analysis [1] exploring this hypothesis predicted that maps at an early developmental stage are realizations of Gaussian random fields exhibiting a rigorous lower bound for their densities of topological defects, called pinwheels. As a consequence, lower pinwheel densities, if observed in adult animals, are predicted to develop through the motion and annihilation of pinwheel pairs. Despite of being valid for a large class of developmental models this result depends on the symmetries of the models and thus of the predicted random field ensembles. In [1] invariance of the orientation map's statistical properties under independent space rotations and orientation shifts was assumed. However, full rotation symmetry appears to be broken by interactions of cortical neurons, e.g. selective couplings between groups of neurons with collinear orientation preferences [2]. A recently proposed new symmetry, called shift-twist symmetry [3], stating that spatial rotations have to occur together with orientation shifts in order to be an appropriate symmetry transformation, is more consistent with this organization. Here we generalize our random field approach to this important symmetry class. We propose a new class of shift-twist symmetric Gaussian random fields and derive the general correlation functions of this ensemble. It turns out that despite strong effects of the shift-twist symmetry on the structure of the correlation functions and on the map layout the lower bound on the pinwheel densities remains unaffected, predicting pinwheel annihilation in systems with low pinwheel densities.

Chromosome Gene Orientation Inversion Networks (GOINs) of Plasmodium Proteome.

PubMed

Quevedo-Tumailli, Viviana F; Ortega-Tenezaca, Bernabé; González-Díaz, Humbert

2018-03-02

The spatial distribution of genes in chromosomes seems not to be random. For instance, only 10% of genes are transcribed from bidirectional promoters in humans, and many more are organized into larger clusters. This raises intriguing questions previously asked by different authors. We would like to add a few more questions in this context, related to gene orientation inversions. Does gene orientation (inversion) follow a random pattern? Is it relevant to biological activity somehow? We define a new kind of network coined as the gene orientation inversion network (GOIN). GOIN's complex network encodes short- and long-range patterns of inversion of the orientation of pairs of gene in the chromosome. We selected Plasmodium falciparum as a case of study due to the high relevance of this parasite to public health (causal agent of malaria). We constructed here for the first time all of the GOINs for the genome of this parasite. These networks have an average of 383 nodes (genes in one chromosome) and 1314 links (pairs of gene with inverse orientation). We calculated node centralities and other parameters of these networks. These numerical parameters were used to study different properties of gene inversion patterns, for example, distribution, local communities, similarity to Erdös-Rényi random networks, randomness, and so on. We find clues that seem to indicate that gene orientation inversion does not follow a random pattern. We noted that some gene communities in the GOINs tend to group genes encoding for RIFIN-related proteins in the proteome of the parasite. RIFIN-like proteins are a second family of clonally variant proteins expressed on the surface of red cells infected with Plasmodium falciparum. Consequently, we used these centralities as input of machine learning (ML) models to predict the RIFIN-like activity of 5365 proteins in the proteome of Plasmodium sp. The best linear ML model found discriminates RIFIN-like from other proteins with sensitivity and specificity 70-80% in training and external validation series. All of these results may point to a possible biological relevance of gene orientation inversion not directly dependent on genetic sequence information. This work opens the gate to the use of GOINs as a tool for the study of the structure of chromosomes and the study of protein function in proteome research.

High-Temperature Microindentation Tests on Olivine and Clinopyroxene

NASA Astrophysics Data System (ADS)

Dorner, D.; Schellewald, M.; Stöckhert, B.

2001-12-01

The perspectives of microindentation techniques for the investigation of the mechanical behaviour of minerals at high temperatures are explored. The technique offers the following advantages: (1) natural specimens with small grain size can be used, (2) preparation is simple, (3) a reasonable number of experiments can be performed within a short period of time. The strength of single crystals as a function of orientation and the activated glide systems are studied using scanning electron microscopy (SEM) combined with electron backscatter diffraction (EBSD) facilities. Furthermore, the effects of compositional variations on the flow strength of solid solutions are explored. The indentation hardness tests are performed on selected grains within natural polycrystalline aggregates. The surface of the specimen is polished mechanically and chemically. The orientation of the crystals is determined using EBSD. The indentation tests are performed with a diamond pyramid (Vickers indenter) at temperatures of 25 ° C to 900 ° C. Loading is done with a constant displacement rate up to a force of 0.5 N, followed by a creep period of 10 s at constant load. SEM is used to measure the size of the indents and to examine their morphology in detail. The microhardness obtained for olivine depends on crystal and indenter orientation and decreases slightly with temperature. Slip steps are observed on the surface around the indents. Their orientation with respect to the crystal orientation indicates that the predominant glide system activated in the indentation process is \\{110\\}[001]. The Schmid factors for this glide system correlate with the observed orientation dependence of the hardness. Indentation hardness of clinopyroxene solid solutions depends on composition with jadeite being stronger than diopside. This is inverse to what is expected for dislocation creep. The high yield stresses inferred from the hardness data and the weak dependence of hardness on temperature are consistent with plasticity being the deformation regime explored in indentation hardness tests.

Residual stress relief due to fatigue in tetragonal lead zirconate titanate ceramics

NASA Astrophysics Data System (ADS)

Hall, D. A.; Mori, T.; Comyn, T. P.; Ringgaard, E.; Wright, J. P.

2013-07-01

High energy synchrotron XRD was employed to determine the lattice strain ɛ{111} and diffraction peak intensity ratio R{200} in tetragonal PZT ceramics, both in the virgin poled state and after a bipolar fatigue experiment. It was shown that the occurrence of microstructural damage during fatigue was accompanied by a reduction in the gradient of the ɛ{111}-cos2 ψ plot, indicating a reduction in the level of residual stress due to poling. In contrast, the fraction of oriented 90° ferroelectric domains, quantified in terms of R{200}, was not affected significantly by fatigue. The change in residual stress due to fatigue is interpreted in terms of a change in the average elastic stiffness of the polycrystalline matrix due to the presence of inter-granular microcracks.

The Orthogonal In-Situ Machining of Single and Polycrystalline Aluminum and Copper, Volume 1. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Cohen, P. H.

1982-01-01

Metal cutting is a unique deformation process characterized by large strains, exceptionally high strain rates and few constraints to the deformation. These factors, along with the difficulty of directly measuring the shear angle, make chip formation difficult to model and understand. One technique for skirting the difficulty of post mortem chip measurement is to perform a cutting experiment dynamically in a scanning electron microscope. The performance of the in-situ experiment with full instrumentation allows for component force measurement, orientation measurement (on a round single crystal disk) and a timing device, all superimposed below the deformation on the TV monitor and recorded for future viewing. This allows the sher angle to be directly measured for the screen along with the other needed information.

Perovskites in the comb roof base of hornets: their possible function.

PubMed

Ishay, J S; Joseph, Z; Galushko, D; Ermakov, N; Bergman, D J; Barkay, Z; Stokroos, I; van der Want, J

2005-04-01

On the ceiling of the Oriental hornet comb cell, there are mineral granules of polycrystalline material known to belong to the group of perovskites. In a comb cell intended to house a worker hornet, the roof base usually carries one or several such perovskite granules containing titanium (Ti), whereas in the roof base of a cell housing a developing queen, there are usually several granules containing a high percentage of silicon (Si), aluminum (Al), calcium (Ca), and iron (Fe), but very little if any Ti. In worker comb cells, Ti usually appears as ilmenite (FeTiO3). Besides documenting the above-mentioned facts, this report discusses possible reasons for the appearance of ilmenite crystals in worker cells only and not in queen cells. (c) 2005 Wiley-Liss, Inc.

Rare earth-iron magnetostrictive materials and devices using these materials

DOEpatents

Savage, Howard T.; Clark, Arthur E.; McMasters, O. Dale

1981-12-29

Grain-oriented polycrystalline or single crystal magnetostrictive materials n the general formula Tb.sub.x Dy.sub.1-x Fe.sub.2-w, Tb.sub.x Ho.sub.1-x Fe.sub.2-w, Sm.sub.x Dy.sub.1-x Fe.sub.x-w, Sm.sub.x Ho.sub.1-x Fe.sub.2-w, Tb.sub.x Ho.sub.y Dy.sub.z Fe.sub.2-w, or Sm.sub.x Ho.sub.y Dy.sub.z Fe.sub.2-w, wherein O.ltoreq.w.ltoreq.0.20, and x+y+z=1. X, y, and z are selected to maximize the magnetostrictive effect and the magnetomechanical coupling coefficient K.sub.33. These material may be used in magnetostrictive transducers, delay lines, variable frequency resonators, and filters.

Effect of Mo-doping concentration on the physical behaviour of sprayed ZnO layers

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

Reddy, T. Sreenivasulu; Reddy, M. Vasudeva; Reddy, K. T. Ramakrishna, E-mail: ktrkreddy@gmail.com

2015-06-24

Mo-doped zinc oxide layers (MZO) have been prepared on cleaned glass substrates by chemical spray pyrolysis technique by varying Mo-doping concentration in the range, 0 – 5 at. %. The X-ray diffraction studies revealed that all the as prepared layers were polycrystalline in nature and exhibited wurtzite structure. The layers prepared with lower Mo-doping concentration (<2 at. %) were preferably oriented along the (100) plane, whereas in the case of higher Mo-doping concentration (>2 at. %), the films showed the (002) plane as the dominant peak. The optical analysis indicated that all the layers had an average optical transmittance ofmore » 80% in the visible region and the evaluated band gap varied in the range, 3.28 - 3.50 eV.« less

Correlating thermoelectric properties with microstructure in Bi 0.8 Sb 0.2 thin films

DOE PAGES

Siegal, M. P.; Lima-Sharma, A. L.; Sharma, P. A.; ...

2017-04-03

The room temperature electronic transport properties of 100 nm-thick thermoelectric Bi 0.8Sb 0.2 films, sputter-deposited onto quartz substrates and post-annealed in an ex-situ furnace, systematically correlate with the overall microstructural quality, improving with increasing annealing temperature until close to the melting point for the alloy composition. Furthermore, the optimized films have high crystalline quality with ~99% of the grains oriented with the trigonal axis perpendicular to the substrate surface. Film resistivities and Seebeck coefficients are accurately measured by preventing deleterious surface oxide formation via a SiN capping layer and using Nd-doped Al for contacts. Our resulting values are similar tomore » single crystals and significantly better than previous reports from films and polycrystalline bulk alloys.« less

Krypton adsorption on rutile: State and cross-sectional area at 77 K

NASA Astrophysics Data System (ADS)

Grillet, Y.; Rouquerol, F.; Rouquerol, J.

1985-10-01

A krypton adsorption study was carried out on a polycrystalline TiO 2 sample (98.5% rutile) presently considered as a potential reference material for surface areas. Both adsorption microcalorimetry and volumetry show evidence of a two-dimensional phase change (from 2D fluid to 2D solid) taking place at 77 K before the completion of the monolayer. No such phenomenon is observed neither with nitrogen (which we explain by a strong orientation and a close-packing of this molecule on a polar surface) neither with argon (which we explain by a large incompatibility factor between rutile and an argon crystal). On completion of the monolayer, the krypton molecular cross-sectional area is here around 0.15 nm 2 (instead of the usual 0.17 to 0.21 nm 2).

Electroactive BaTiO3 nanoparticle-functionalized fibrous scaffolds enhance osteogenic differentiation of mesenchymal stem cells

PubMed Central

Li, Yiping; Dai, Xiaohan; Bai, Yunyang; Liu, Yun; Wang, Yuehong; Liu, Ousheng; Yan, Fei; Tang, Zhangui; Zhang, Xuehui; Deng, Xuliang

2017-01-01

It has been proven that the surface topographic cues of fiber arrangement can induce osteogenic differentiation of mesenchymal stem cells. However, this effect alone is weak and insufficient to meet the needs of regenerative medicine. In this work, electroactivity concept was introduced to enhance the osteoinductivity of fibrous scaffolds. The randomly oriented and aligned electroactive fibrous scaffolds of poly-(l-lactic acid) (PLLA) with incorporation of ferroelectric ceramic BaTiO3 (BTO) nanoparticles (NPs) were fabricated by electrospinning. Physicochemical properties, including fiber morphology, microstructure, composition, thermal stability, surface roughness, and surface wettability, of these fibrous scaffolds were studied. The dielectric properties of the scaffolds were evaluated. The results showed that the randomly oriented BTO/PLLA composite fibrous scaffolds had the highest dielectric permittivity of 1.19, which is of the same order of magnitude as the natural bone. The combined effects of fiber orientation and electrical activity on the osteogenic responses of bone marrow mesenchymal stem cells (BM-MSCs) were specifically investigated. Randomly oriented composite fibrous scaffolds significantly promoted polygonal spreading and encouraged early osteogenic differentiation in BM-MSCs, whereas aligned composite fibrous scaffolds promoted cell elongation and discouraged osteogenic differentiation. These results evidenced that randomly fiber orientation and biomimetic electric activity have combining effects on osteogenic differentiation of BM-MSCs. Our findings indicate that coupling effects of multi-physical properties should be paid more attention to mimic the microenvironment for enhancing osteogenic differentiation of BM-MSCs. PMID:28603415

CdTe1-x S x (x  ⩽  0.05) thin films synthesized by aqueous solution deposition and annealing

NASA Astrophysics Data System (ADS)

Pruzan, Dennis S.; Hahn, Carina E.; Misra, Sudhajit; Scarpulla, Michael A.

2017-11-01

While CdS thin films are commonly deposited from aqueous solutions, CdTe thin films are extremely difficult to deposit directly from aqueous solution. In this work, we report on polycrystalline CdTe1-x S x thin films synthesized via deposition from aqueous precursor solutions followed by annealing treatments and on their physical properties. The deposition method uses spin-coating of alternating Cd2+ and Te2- aqueous solutions and rinse steps to allow formation of the films but to shear off excess reactants and poorly-bonded solids. Films are then annealed in the presence of CdCl2 as is commonly done for CdTe photovoltaic absorber layers deposited by any means. Scanning electron microscopy (SEM) reveals low void fractions and grain sizes up to 4 µm and x-ray diffraction (XRD) shows that the films are primarily cubic CdTe1-x S x (x  ⩽  0.05) with random crystallographic orientation. Optical transmission yields bandgap absorption consistent with a CdTe1-x S x dilute alloy and low-temperature photoluminescence (PL) consists of an emission band centered at 1.35 eV consistent with donor-acceptor pair (DAP) transitions in CdTe1-x S x . Together, the crystalline quality and PL yield from films produced by this method represent an important step towards electroless, ligand-free solution processed CdTe and related alloy thin films suitable for optoelectronic device applications such as thin film heterojunction or nanodipole-based photovoltaics.

Edge-defined contact heater apparatus and method for floating zone crystal growth

NASA Technical Reports Server (NTRS)

Kou, Sindo (Inventor)

1992-01-01

An apparatus for growing a monocrystalline body (30) from a polycrystalline feed rod (22) includes a heater (20) that is positioned to heat a short section of the polycrystalline rod (22) to create a molten zone (34). The heater (20) is formed to include a shaper (40) that contacts the polycrystalline rod (22) in the molten zone (34) and has a hole (46) to allow flow in the molten zone (34) between the polycrystalline rod (22) side and the monocrystalline body (30) side of the shaper. The shaper (40) has an edge (42) that defines the boundary of the cross-section of the monocrystalline body (30) that is formed as the molten material solidifies.

Expert Design Advisor

DTIC Science & Technology

1990-10-01

to economic, technological, spatial or logistic concerns, or involve training, man-machine interfaces, or integration into existing systems. Once the...probabilistic reasoning, mixed analysis- and simulation-oriented, mixed computation- and communication-oriented, nonpreemptive static priority...scheduling base, nonrandomized, preemptive static priority scheduling base, randomized, simulation-oriented, and static scheduling base. The selection of both

Orienting apples for imaging using their inertial properties and random apple loading

USDA-ARS?s Scientific Manuscript database

The inability to control apple orientation during imaging has hindered development of automated systems for sorting apples for defects such as bruises and for safety issues such as fecal contamination. Recently, a potential method for orienting apples based on their inertial properties was discovere...

Topographic Independent Component Analysis reveals random scrambling of orientation in visual space

PubMed Central

Martinez-Garcia, Marina; Martinez, Luis M.

2017-01-01

Neurons at primary visual cortex (V1) in humans and other species are edge filters organized in orientation maps. In these maps, neurons with similar orientation preference are clustered together in iso-orientation domains. These maps have two fundamental properties: (1) retinotopy, i.e. correspondence between displacements at the image space and displacements at the cortical surface, and (2) a trade-off between good coverage of the visual field with all orientations and continuity of iso-orientation domains in the cortical space. There is an active debate on the origin of these locally continuous maps. While most of the existing descriptions take purely geometric/mechanistic approaches which disregard the network function, a clear exception to this trend in the literature is the original approach of Hyvärinen and Hoyer based on infomax and Topographic Independent Component Analysis (TICA). Although TICA successfully addresses a number of other properties of V1 simple and complex cells, in this work we question the validity of the orientation maps obtained from TICA. We argue that the maps predicted by TICA can be analyzed in the retinal space, and when doing so, it is apparent that they lack the required continuity and retinotopy. Here we show that in the orientation maps reported in the TICA literature it is easy to find examples of violation of the continuity between similarly tuned mechanisms in the retinal space, which suggest a random scrambling incompatible with the maps in primates. The new experiments in the retinal space presented here confirm this guess: TICA basis vectors actually follow a random salt-and-pepper organization back in the image space. Therefore, the interesting clusters found in the TICA topology cannot be interpreted as the actual cortical orientation maps found in cats, primates or humans. In conclusion, Topographic ICA does not reproduce cortical orientation maps. PMID:28640816

Topographic Independent Component Analysis reveals random scrambling of orientation in visual space.

PubMed

Martinez-Garcia, Marina; Martinez, Luis M; Malo, Jesús

2017-01-01

Neurons at primary visual cortex (V1) in humans and other species are edge filters organized in orientation maps. In these maps, neurons with similar orientation preference are clustered together in iso-orientation domains. These maps have two fundamental properties: (1) retinotopy, i.e. correspondence between displacements at the image space and displacements at the cortical surface, and (2) a trade-off between good coverage of the visual field with all orientations and continuity of iso-orientation domains in the cortical space. There is an active debate on the origin of these locally continuous maps. While most of the existing descriptions take purely geometric/mechanistic approaches which disregard the network function, a clear exception to this trend in the literature is the original approach of Hyvärinen and Hoyer based on infomax and Topographic Independent Component Analysis (TICA). Although TICA successfully addresses a number of other properties of V1 simple and complex cells, in this work we question the validity of the orientation maps obtained from TICA. We argue that the maps predicted by TICA can be analyzed in the retinal space, and when doing so, it is apparent that they lack the required continuity and retinotopy. Here we show that in the orientation maps reported in the TICA literature it is easy to find examples of violation of the continuity between similarly tuned mechanisms in the retinal space, which suggest a random scrambling incompatible with the maps in primates. The new experiments in the retinal space presented here confirm this guess: TICA basis vectors actually follow a random salt-and-pepper organization back in the image space. Therefore, the interesting clusters found in the TICA topology cannot be interpreted as the actual cortical orientation maps found in cats, primates or humans. In conclusion, Topographic ICA does not reproduce cortical orientation maps.

Individual spectral densities and molecular motion in polycrystalline hexamethylbenzene-d18

NASA Astrophysics Data System (ADS)

Hoatson, Gina L.; Vold, Robert L.; Tse, Tak Y.

1994-04-01

Methods are described for obtaining the orientation dependence of individual motional spectral densities, J1(ω0) and J2(2ω0), from deuterium spin relaxation experiments on polycrystalline materials. Spectral density measurements provide detailed information in a motional regime too fast to be studied by the two-dimensional (2D) exchange method. Their potential as a source of detailed kinetic and geometric information is illustrated for hexamethylbenzene-d18 (HMB). The relaxation behavior of HMB cannot be explained exclusively by six-site jumps around the C6v axis. Agreement between the experimentally determined spectral densities and simulations is improved if the methyl rotation is explicitly included. At ambient temperature the experimental data are best fitted with the simultaneous jump rates, k6=3.85×108 s-1 and k3=5.0×1011 s-1. This is significantly different from the rate determined using a simple six-site jump model, k6=3.9×109 s-1. Geometric distortions of the methyl rotation axes can account for the observed motionally averaged electric field gradient tensor. When these distortions are included in analysis of the spectral density data, there is a small, but significant, improvement in the fit. k3 is unchanged and the best fit k6 is reduced to 2.2×108 s-1, with distortions out of plane by δ=2.5° and in plane ɛ=ɛ'=1.202.

A Rapid Deposition of Fluorine Doped Zinc Oxide Using the Atmospheric Pressure Chemical Vapour Deposition Method

NASA Astrophysics Data System (ADS)

Najafi, Navid; Rozati, S. M.

2018-03-01

Fluorine-doped zinc oxide (FZO) (ZnO:F) thin films were manufactured by atmospheric pressure chemical vapor deposition (APCVD) on glass substrates using zinc acetate dihydrate [C4H6O4Zn·2H2O, ZnAc] and ammonium fluoride (NH4F) as the source of fluorine with deposition duration of only 120 s for each sample. The effects of different amounts of fluorine as the dopant on the structural, electrical and optical properties of FZO thin films were investigated. The results show a polycrystalline structure at higher temperatures compared to amorphous structure at lower temperatures. The x-ray diffraction patterns of the polycrystalline films were identified as a hexagonal wurtzite structure of zinc oxide (ZnO) with the (002) preferred orientation. Also, the sheet resistance decreased from 17.8 MΩ/□ to 28.9 KΩ/□ for temperatures 325°C to 450°C, respectively. In order to further decrease the sheet resistance of the undoped ZnO thin films, fluorine was added using NH4F as the precursor, and again a drastic change in sheet resistance of only 17.7 Ω/□ was obtained. Based on the field emission scanning electron microscopy images, the fluorine concentration in CVD source is an important factor affecting the grain size and modifies electrical parameters. Ultraviolet-visible measurements revealed reduction of transparency of the layers with increasing fluorine as the dopant.

Detailed line shape analysis of the C KVV Auger peak of two carbon allotropes measured using a time of flight positron annihilation induced Auger electron spectrometer

NASA Astrophysics Data System (ADS)

Fairchild, A. J.; Chirayath, V. A.; Chrysler, M. D.; Gladen, R. W.; Imam, S. K.; Koymen, A. R.; Weiss, A. H.

We report a detailed line shape analysis of the positron induced C KVV Auger line shape from highly oriented pyrolytic graphite (HOPG) and a single layer of graphene grown on polycrystalline Cu. A model consisting of the self-fold of the one-electron density of states including terms for hole-hole interactions, charge screening effects, and intrinsic loss mechanisms is compared to experimental C KVV line shapes measured using a positron induced Auger electron spectrometer (PAES). In traditional Auger spectroscopies which use an electron or photon to initiate the Auger process, extracting the relatively small Auger signal from the large secondary background can be quite difficult. Using a very low energy positron beam to create the core hole through an anti-matter matter annihilation entirely eliminates this background. Additionally, PAES has sensitivity to the top most atomic layer since the positron becomes trapped in an image potential well at the surface before annihilation. Therefore, the PAES signal from a single layer of graphene on polycrystalline Cu is primarily from the graphene overlayer with small contributions from the Cu substrate while the PAES signal from HOPG can be viewed as a single graphene layer with a graphite substrate. The influence of these two substrates on C KVV line shape is discussed. This work was supported by NSF Grant No. DMR 1508719 and DMR 1338130.

ECCI, EBSD and EPSC characterization of rhombohedral twinning in polycrystalline α-alumina deformed in a D-DIA apparatus

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

Kaboli, Shirin; Burnley, Pamela C.

Rhombohedral twinning in alumina (aluminium oxide, α-Al 2O 3) is an important mechanism for plastic deformation under high-temperature–pressure conditions. Rhombohedral twins in a polycrystalline alumina sample deformed in a D-DIA apparatus at 965 K and 4.48 GPa have been characterized. Three classes of grains were imaged, containing single, double and mosaic twins, using electron channeling contrast imaging (ECCI) in a field emission scanning electron microscope. These twinned grains were analyzed using electron backscatter diffraction (EBSD). The methodology for twin identification presented here is based on comparison of theoretical pole figures for a rhombohedral twin with experimental pole figures obtained withmore » EBSD crystal orientation mapping. An 85°(02{\\overline 2}1) angle–axis pair of misorientation was identified for rhombohedral twin boundaries in alumina, which can be readily used in EBSD post-processing software to identify the twin boundaries in EBSD maps and distinguish the rhombohedral twins from basal twins. Elastic plastic self-consistent (EPSC) modeling was then used to model the synchrotron X-ray diffraction data from the D-DIA experiments utilizing the rhombohedral twinning law. From these EPSC models, a critical resolved shear stress of 0.25 GPa was obtained for rhombohedral twinning under the above experimental conditions, which is internally consistent with the value estimated from the applied load and Schmid factors determined by EBSD analysis.« less

New Insights on the Rheology of Olivine Deformed under Lithospheric Temperature Conditions

NASA Astrophysics Data System (ADS)

Cordier, P.; Demouchy, S. A.; Mussi, A.; Tommasi, A.

2014-12-01

Rheology of mantle rocks at lithospheric temperatures remains poorly constrained, since most experimental studies on creep mechanisms of olivine single crystals ((MgFe)2SiO4, Pbnm) and polycrystalline olivine aggregates were performed at high-temperatures (T >> 1200oC). In this study, we report results from deformation experiments on oriented single crystals of San Carlos olivine and polycrystalline olivine aggregate at temperatures relevant of the uppermost mantle (ranging from 800o to 1090oC) in tri-axial compression. The experiments were carried out at a confining pressure of 300 MPa in a high-resolution gas-medium mechanical testing apparatus at various constant strain rates (from 7 x 10-6 s-1 to 1 x 10-4 s-1). Mechanical tests show that mantle lithosphere is actually weaker than previously inferred from the extrapolation of high-temperature experiments. In this study, we present characterization of dislocation microstructures based on transmission electron microscopy and electron tomography. It is shown that below 1000°C, dislocation activity is restricted to [001] glide with a strong predominance of {110} as glide planes. We observe recovery mechanisms which suggest that the mechanical properties observed in laboratory experiments represent an upper bound for the actual behavior of olivine under lithospheric mantle conditions. Moreover, the drastic reduction in slip system activity observed questions the ability of deforming olivine aggregates in the ductile regime at such temperatures. We show that ductility is preserved thanks to the activation of alternative deformation mechanisms in grain boundaries involving disclinations.

The structural and electrical properties of polycrystalline La0.8Ca0.17Ag0.03MnO3 manganites

NASA Astrophysics Data System (ADS)

Ruli, F.; Kurniawan, B.; Imaduddin, A.

2018-04-01

In this paper, the authors report the electrical properties of polycrystalline La0.8Ca0.17Ag0.03MnO3 manganites synthesized using sol-gel method. The X-ray diffraction (XRD) patterns of polycrystalline La0.8Ca0.17Ag0.03MnO3 samples reveal an orthorhombic perovskite structure with Pnma space group. Analysis using energy dispersive X-ray (EDX) confirms that the sample contains all expected chemical elements without any additional impurity. The measurement of resistivity versus temperature using cryogenic magnetometer was performed to investigate the electrical properties. The results show that the electrical resistivity of polycrystalline La0.8Ca0.17Ag0.03MnO3 exhibits metalic behavior below 244 K. The temperature dependence of electrical resistivity dominantly emanates from electron-electron scattering and the grain/domain boundary play a important role in conduction mechanism in polycrystalline La0.8Ca0.17Ag0.03MnO3.

Deposition Of Cubic BN On Diamond Interlayers

NASA Technical Reports Server (NTRS)

Ong, Tiong P.; Shing, Yuh-Han

1994-01-01

Thin films of polycrystalline, pure, cubic boron nitride (c-BN) formed on various substrates, according to proposal, by chemical vapor deposition onto interlayers of polycrystalline diamond. Substrate materials include metals, semiconductors, and insulators. Typical substrates include metal-cutting tools: polycrystalline c-BN coats advantageous for cutting ferrous materials and for use in highly oxidizing environments-applications in which diamond coats tend to dissolve in iron or be oxidized, respectively.

CdTe devices and method of manufacturing same

DOEpatents

Gessert, Timothy A.; Noufi, Rommel; Dhere, Ramesh G.; Albin, David S.; Barnes, Teresa; Burst, James; Duenow, Joel N.; Reese, Matthew

2015-09-29

A method of producing polycrystalline CdTe materials and devices that incorporate the polycrystalline CdTe materials are provided. In particular, a method of producing polycrystalline p-doped CdTe thin films for use in CdTe solar cells in which the CdTe thin films possess enhanced acceptor densities and minority carrier lifetimes, resulting in enhanced efficiency of the solar cells containing the CdTe material are provided.

Effect of Grain Boundaries on the Performance of Thin-Film-Based Polycrystalline Silicon Solar Cells: A Numerical Modeling

NASA Astrophysics Data System (ADS)

Chhetri, Nikita; Chatterjee, Somenath

2018-01-01

Solar cells/photovoltaic, a renewable energy source, is appraised to be the most effective alternative to the conventional electrical energy generator. A cost-effective alternative of crystalline wafer-based solar cell is thin-film polycrystalline-based solar cell. This paper reports the numerical analysis of dependency of the solar cell parameters (i.e., efficiency, fill factor, open-circuit voltage and short-circuit current density) on grain size for thin-film-based polycrystalline silicon (Si) solar cells. A minority carrier lifetime model is proposed to do a correlation between the grains, grain boundaries and lifetime for thin-film-based polycrystalline Si solar cells in MATLAB environment. As observed, the increment in the grain size diameter results in increase in minority carrier lifetime in polycrystalline Si thin film. A non-equivalent series resistance double-diode model is used to find the dark as well as light (AM1.5) current-voltage (I-V) characteristics for thin-film-based polycrystalline Si solar cells. To optimize the effectiveness of the proposed model, a successive approximation method is used and the corresponding fitting parameters are obtained. The model is validated with the experimentally obtained results reported elsewhere. The experimentally reported solar cell parameters can be found using the proposed model described here.

A new computer-aided simulation model for polycrystalline silicon film resistors

NASA Astrophysics Data System (ADS)

Ching-Yuan Wu; Weng-Dah Ken

1983-07-01

A general transport theory for the I-V characteristics of a polycrystalline film resistor has been derived by including the effects of carrier degeneracy, majority-carrier thermionic-diffusion across the space charge regions produced by carrier trapping in the grain boundaries, and quantum mechanical tunneling through the grain boundaries. Based on the derived transport theory, a new conduction model for the electrical resistivity of polycrystalline film resitors has been developed by incorporating the effects of carrier trapping and dopant segregation in the grain boundaries. Moreover, an empirical formula for the coefficient of the dopant-segregation effects has been proposed, which enables us to predict the dependence of the electrical resistivity of phosphorus-and arsenic-doped polycrystalline silicon films on thermal annealing temperature. Phosphorus-doped polycrystalline silicon resistors have been fabricated by using ion-implantation with doses ranged from 1.6 × 10 11 to 5 × 10 15/cm 2. The dependence of the electrical resistivity on doping concentration and temperature have been measured and shown to be in good agreement with the results of computer simulations. In addition, computer simulations for boron-and arsenic-doped polycrystalline silicon resistors have also been performed and shown to be consistent with the experimental results published by previous authors.

Grain Boundary Sliding (GBS) as a Plastic Instability Leading to Coeval Pseudotachylyte Development in Mylonites: an EBSD Study of the Seismic Cycle in Brittle-Ductile Transition Rocks of the South Mountains Core Complex, Arizona, USA

NASA Astrophysics Data System (ADS)

Miranda, E.; Stewart, C.

2017-12-01

Exposures of coeval pseudotachylytes and mylonites are relatively rare, but are crucial for understanding the seismic cycle in the vicinity of the brittle-ductile transition (BDT). We use both field observations and electron backscatter diffraction (EBSD) analysis to investigate the coeval pseudotachylytes and granodiorite mylonites exposed in the footwall of the South Mountains core complex, Arizona, to evaluate how strain is localized both prior to and during pseudotachylyte development at the BDT. In the field, we observe numerous pseudotachylyte veins oriented parallel to mylonitic foliation; the veins have synthetic shear sense with adjacent mylonites, and are < 2 cm thick, laterally discontinuous, and confined to a few m in structural thickness. EBSD analysis reveals that deformation is strongly partitioned into quartz in mylonites, where quartz shows subgrain rotation overprinted by bulging recrystallization microstructures and lattice preferred orientation (LPO) patterns indicative of dislocation creep. Foliation-parallel zones of finely recrystallized, (< 5 μm diameter) bulge-nucleated grains in the mylonites show four-grain junctions and randomized LPO patterns consistent with grain boundary sliding (GBS). Pseudotachylyte veins have elongate polycrystalline quartz survivor clasts that also exhibit GBS traits, suggesting that pseudotachylytes form within GBS zones in mylonites. We interpret the onset of GBS as a triggering mechanism for coeval pseudotachylyte development, where the accompanying decrease in effective viscosity and increase in strain rate initiated seismic slip and pseudotachylyte formation within GBS zones. Strain became localized within the pseudotachylyte until crystallization of melt impeded flow, inducing pseudotachylyte development in other GBS zones. We associate the pseudotachylyte veins and host mylonites with the coseismic and interseismic parts of the seismic cycle, respectively, where the abundance and lateral discontinuity of pseudotachylyte veins suggests repeated events. We speculate that periodic, GBS-initiated pseudotachylyte generation may correlate with intermediate slip rate seismic events in the vicinity of the BDT, suggesting that coeval pseudotachylytes and mylonites are evidence of a unique class of seismic event.

A scattering model for forested area

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1988-01-01

A forested area is modeled as a volume of randomly oriented and distributed disc-shaped, or needle-shaped leaves shading a distribution of branches modeled as randomly oriented finite-length, dielectric cylinders above an irregular soil surface. Since the radii of branches have a wide range of sizes, the model only requires the length of a branch to be large compared with its radius which may be any size relative to the incident wavelength. In addition, the model also assumes the thickness of a disc-shaped leaf or the radius of a needle-shaped leaf is much smaller than the electromagnetic wavelength. The scattering phase matrices for disc, needle, and cylinder are developed in terms of the scattering amplitudes of the corresponding fields which are computed by the forward scattering theorem. These quantities along with the Kirchoff scattering model for a randomly rough surface are used in the standard radiative transfer formulation to compute the backscattering coefficient. Numerical illustrations for the backscattering coefficient are given as a function of the shading factor, incidence angle, leaf orientation distribution, branch orientation distribution, and the number density of leaves. Also illustrated are the properties of the extinction coefficient as a function of leaf and branch orientation distributions. Comparisons are made with measured backscattering coefficients from forested areas reported in the literature.

Nanofiber Orientation and Surface Functionalization Modulate Human Mesenchymal Stem Cell Behavior In Vitro

PubMed Central

Kolambkar, Yash M.; Bajin, Mehmet; Wojtowicz, Abigail; Hutmacher, Dietmar W.; García, Andrés J.

2014-01-01

Electrospun nanofiber meshes have emerged as a new generation of scaffold membranes possessing a number of features suitable for tissue regeneration. One of these features is the flexibility to modify their structure and composition to orchestrate specific cellular responses. In this study, we investigated the effects of nanofiber orientation and surface functionalization on human mesenchymal stem cell (hMSC) migration and osteogenic differentiation. We used an in vitro model to examine hMSC migration into a cell-free zone on nanofiber meshes and mitomycin C treatment to assess the contribution of proliferation to the observed migration. Poly (ɛ-caprolactone) meshes with oriented topography were created by electrospinning aligned nanofibers on a rotating mandrel, while randomly oriented controls were collected on a stationary collector. Both aligned and random meshes were coated with a triple-helical, type I collagen-mimetic peptide, containing the glycine-phenylalanine-hydroxyproline-glycine-glutamate-arginine (GFOGER) motif. Our results indicate that nanofiber GFOGER peptide functionalization and orientation modulate cellular behavior, individually, and in combination. GFOGER significantly enhanced the migration, proliferation, and osteogenic differentiation of hMSCs on nanofiber meshes. Aligned nanofiber meshes displayed increased cell migration along the direction of fiber orientation compared to random meshes; however, fiber alignment did not influence osteogenic differentiation. Compared to each other, GFOGER coating resulted in a higher proliferation-driven cell migration, whereas fiber orientation appeared to generate a larger direct migratory effect. This study demonstrates that peptide surface modification and topographical cues associated with fiber alignment can be used to direct cellular behavior on nanofiber mesh scaffolds, which may be exploited for tissue regeneration. PMID:24020454

Order - disorder transitions in granular sphere packings

NASA Astrophysics Data System (ADS)

Panaitescu, Andreea M.

Granular materials are ubiquitous in many industrial and natural processes, yet their complex behaviors characterized by unusual static and dynamic properties are still poorly understood. In this dissertation we investigate both the geometrical structure and the dynamical properties (the response to shear deformations, disorder-order transition and crystallization) of packings of mono-sized spheres as a function of the packing volume fraction. Different average packing fractions were obtained by submitting a dense granular material to periodic shear deformations and by epitaxy. Using advanced imaging techniques including the refractive index matched imaging (RIM) and X-ray computed tomography (CT) enables us to determine the three dimensional particles position inside the packing. From positions we obtain the Voronoi tessellation corresponding to the particles in the bulk and calculate the radial distribution and the bond-order metric. These two parameters are widely used to quantify the structure of the spherical particle systems. A granular packing undergoing periodic shear deformations is observed to slowly evolve towards crystallization and the packing fraction is correspondingly observed to increase smoothly from loose packing fraction, 0.59, well above the random close packing fraction, 0.637. Tracking the particles over several shear cycles allows us to obtain the probability distributions of particle displacements and the mean-square displacements and to compute the components of the diffusion tensor. We find that in a shear flow, the initial self-diffusion of the particles is anisotropic with diffusion greater in the flow direction compared with the velocity gradient direction which in turn is greater than in the vorticity direction. We further find that the granular matter under cyclic shear shows reversible as well as irreversible or plastic response for small enough strain amplitude. The appearance and the propagation of the crystalline order were studied using the orientational order metric. By following the evolution of the nucleating crystallites, we identified critical nuclei, determined their size and symmetry, and measured the average surface free energy. The structure of the nuclei was found to be random hexagonal close-packed, their average shape was non-spherical and they were oriented preferentially along the shear axis. When the packing volume fraction approaches a value close to the random close packing, crystallites with face centered cubic (fcc) order are observed with increasing probability, and ordered domains grow rapidly. A polycrystalline phase with domains of fcc and hcp order is obtained after hundreds of thousands of shear cycles. Depositing spheres on a substrate under the influence of gravity gives rise to a wide range of volume fractions and packing structures by simply controlling the nature of the substrate, the deposition rate and the energy of the particles. We analyzed the structures formed and investigate the development of the disordered phases as a function of the deposition rate. Furthermore, by comparing these structures with packings obtained by cyclic shear we showed that the structure of a granular packing depends strongly on the protocol used.

Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films.

PubMed

Steiner, Florian; Poelking, Carl; Niedzialek, Dorota; Andrienko, Denis; Nelson, Jenny

2017-05-03

We present a multi-scale model for charge transport across grain boundaries in molecular electronic materials that incorporates packing disorder, electrostatic and polarisation effects. We choose quasi two-dimensional films of tri-isopropylsilylethynyl pentacene (TIPS-P) as a model system representative of technologically relevant crystalline organic semiconductors. We use atomistic molecular dynamics, with a force-field specific for TIPS-P, to generate and equilibrate polycrystalline two-dimensional thin films. The energy landscape is obtained by calculating contributions from electrostatic interactions and polarization. The variation in these contributions leads to energetic barriers between grains. Subsequently, charge transport is simulated using a kinetic Monte-Carlo algorithm. Two-grain systems with varied mutual orientation are studied. We find relatively little effect of long grain boundaries due to the presence of low impedance pathways. However, effects could be more pronounced for systems with limited inter-grain contact areas. Furthermore, we present a lattice model to generalize the model for small molecular systems. In the general case, depending on molecular architecture and packing, grain boundaries can result in interfacial energy barriers, traps or a combination of both with qualitatively different effects on charge transport.

Quantifying resistances across nanoscale low- and high-angle interspherulite boundaries in solution-processed organic semiconductor thin films.

PubMed

Lee, Stephanie S; Mativetsky, Jeffrey M; Loth, Marsha A; Anthony, John E; Loo, Yueh-Lin

2012-11-27

The nanoscale boundaries formed when neighboring spherulites impinge in polycrystalline, solution-processed organic semiconductor thin films act as bottlenecks to charge transport, significantly reducing organic thin-film transistor mobility in devices comprising spherulitic thin films as the active layers. These interspherulite boundaries (ISBs) are structurally complex, with varying angles of molecular orientation mismatch along their lengths. We have successfully engineered exclusively low- and exclusively high-angle ISBs to elucidate how the angle of molecular orientation mismatch at ISBs affects their resistivities in triethylsilylethynyl anthradithiophene thin films. Conductive AFM and four-probe measurements reveal that current flow is unaffected by the presence of low-angle ISBs, whereas current flow is significantly disrupted across high-angle ISBs. In the latter case, we estimate the resistivity to be 22 MΩμm(2)/width of the ISB, only less than a quarter of the resistivity measured across low-angle grain boundaries in thermally evaporated sexithiophene thin films. This discrepancy in resistivities across ISBs in solution-processed organic semiconductor thin films and grain boundaries in thermally evaporated organic semiconductor thin films likely arises from inherent differences in the nature of film formation in the respective systems.

Effect of substrate temperature and oxygen partial pressure on RF sputtered NiO thin films

NASA Astrophysics Data System (ADS)

Cheemadan, Saheer; Santhosh Kumar, M. C.

2018-04-01

Nickel oxide (NiO) thin films were deposited by RF sputtering process and the physical properties were investigated for varying substrate temperatures and oxygen partial pressure. The variation of the crystallographic orientation and microstructure of the NiO thin films with an increase in substrate temperature were studied. It was observed that NiO thin films deposited at 350 °C shows relatively good crystalline characteristics with a preferential orientation along (111) plane. With the optimum substrate temperature of 350 °C, the NiO thin films were deposited under various oxygen partial pressures at the same experimental conditions. The structural, optical and electrical properties of NiO thin films under varying oxygen partial pressure of 10%–50% were investigated. From XRD it is clear that the films prepared in the pure argon atmosphere were amorphous while the films in oxygen partial pressure exhibited polycrystalline NiO phase. SEM and AFM investigations unveil that the higher substrate temperature improves the microstructure of the thin films. It is revealed that the NiO thin films deposited at oxygen partial pressure of 40% and a substrate temperature of 350 °C, showed higher electrical conductivity with p-type characteristics.

Epitaxial Fe(1-x)Gax/GaAs structures via electrochemistry for spintronics applications

NASA Astrophysics Data System (ADS)

Reddy, K. Sai Madhukar; Maqableh, Mazin M.; Stadler, Bethanie J. H.

2012-04-01

In this study, thin films of Fe83Ga17 (a giant magnetostrictive alloy) were grown on single-crystalline n-GaAs (001) and polycrystalline brass substrates via electrochemical synthesis from ferrous and gallium sulfate electrolytes. Extensive structural characterization using microdiffraction, high-resolution ω - 2θ, and rocking-curve analysis revealed that the films grown on GaAs(001) are highly textured with ⟨001⟩ orientation along the substrate normal, and the texture improved further upon annealing at 300 °C for 2 h in N2 environment. On the contrary, films grown on brass substrates exhibited ⟨011⟩ preferred orientation. Rocking-curve analysis done on Fe83Ga17/GaAs structures further confirmed that the ⟨001⟩ texture in the Fe83Ga17 thin film is a result of epitaxial nucleation and growth. The non-linear current-voltage plot obtained for the Fe-Ga/GaAs Schottky contacts was characteristic of tunneling injection, and showed improved behavior with annealing. Thus, this study demonstrates the feasibility of fabricating spintronic devices that incorporate highly magnetostrictive Fe(1-x)Gax thin films grown epitaxially via electrochemistry.

Cryptotomography: reconstructing 3D Fourier intensities from randomly oriented single-shot diffraction patterns (CXIDB ID 9)

DOE Data Explorer

Loh, Ne-Te Duane

2011-08-01

These 2000 single-shot diffraction patterns include were either background-scattering only or hits (background-scattering plus diffraction signal from sub-micron ellipsoidal particles at random, undetermined orientations). Candidate hits were identified by eye, and the remainder were presumed as background. 54 usable, background-subtracted hits in this set (procedure in referenced article) were used to reconstruct the 3D diffraction intensities of the average ellipsoidal particle.

The effect of heat treatment on the resistivity of polycrystalline silicon films

NASA Technical Reports Server (NTRS)

Fripp, A. L., Jr.

1975-01-01

The resistivity of doped polycrystalline silicon films has been studied as a function of post deposition heat treatments in an oxidizing atmosphere. It was found that a short oxidation cycle may produce a resistivity increase as large as three orders of magnitude in the polycrystalline films. The extent of change was dependent on the initial resistivity and the films' doping level and was independent of the total oxidation time.

Handbook of the optical, thermal and mechanical properties of six polycrystalline dielectric materials

NASA Technical Reports Server (NTRS)

Dewitt, D. P.

1972-01-01

The design data for six polycrystalline dielectric materials are presented to describe the optical, thermal, and mechanical properties. The materials are aluminum oxide, calcium fluoride, magnesium fluoride, magnesium oxide, silicon dioxide, and titanium dioxide. The primary interest is in the polycrystalline state, although single crystal data are included when appropriate. The temperature range is room temperature to melting point. The wavelength range is from near ultraviolet to near infrared.

The effects of intragrain defects on the local photoresponse of polycrystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Inoue, N.; Wilmsen, C. W.; Jones, K. A.

1981-02-01

Intragrain defects in Wacker cast and Monsanto zone-refined polycrystalline silicon materials were investigated using the electron-beam-induced current (EBIC) technique. The EBIC response maps were compared with etch pit, local diffusion length and local photoresponse measurements. It was determined that the Wacker polycrystalline silicon has a much lower density of defects than does the Monsanto polycrystalline silicon and that most of the defects in the Wacker material are not active recombination sites. A correlation was found between the recombination site density, as determined by EBIC, and the local diffusion length. It is shown that a large density of intragrain recombination sites greatly reduces the minority carrier diffusion length and thus can significantly reduce the photoresponse of solar cells.

Enhancement of lower critical field by reducing the thickness of epitaxial and polycrystalline MgB₂ thin films

DOE PAGES

Tan, Teng; Wolak, M. A.; Acharya, Narendra; ...

2015-04-01

For potential applications in superconducting RF cavities, we have investigated the properties of polycrystalline MgB₂ films, including the thickness dependence of the lower critical field Hc₁. MgB₂ thin films were fabricated by hybrid physical-chemical vapor deposition on (0001) SiC substrate either directly (for epitaxial films) or with a MgO buffer layer (for polycrystalline films). When the film thickness decreased from 300 nm to 100 nm, Hc₁ at 5 K increased from around 600 Oe to 1880 Oe in epitaxial films and to 1520 Oe in polycrystalline films. The result is promising for using MgB₂/MgO multilayers to enhance the vortex penetrationmore » field.« less

Magnetic activity of surface plasmon resonance using dielectric magnetic materials fabricated on quartz glass substrate

NASA Astrophysics Data System (ADS)

Narushima, Kazuki; Ashizawa, Yoshito; Brachwitz, Kerstin; Hochmuth, Holger; Lorenz, Michael; Grundmann, Marius; Nakagawa, Katsuji

2016-07-01

The magnetic activity of surface plasmons in Au/MFe2O4 (M = Ni, Co, and Zn) polycrystalline bilayer films fabricated on a quartz glass substrate was studied for future magnetic sensor applications using surface plasmon resonance. The excitation of surface plasmons and their magnetic activity were observed in all investigated Au/MFe2O4 films. The magnetic activity of surface plasmons of the polycrystalline Au/NiFe2O4 film was larger than those of the other polycrystalline Au/MFe2O4 films, the epitaxial NiFe2O4 film, and metallic films. The large magnetic activity of surface plasmons of the polycrystalline film is controlled by manipulating surface plasmon excitation conditions and magnetic properties.

Impact of Oriented Clay Particles on X-Ray Spectroscopy Analysis

NASA Astrophysics Data System (ADS)

Lim, A. J. M. S.; Syazwani, R. N.; Wijeyesekera, D. C.

2016-07-01

Understanding the engineering properties of the mineralogy and microfabic of clayey soils is very complex and thus very difficult for soil characterization. Micromechanics of soils recognize that the micro structure and mineralogy of clay have a significant influence on its engineering behaviour. To achieve a more reliable quantitative evaluation of clay mineralogy, a proper sample preparation technique for quantitative clay mineral analysis is necessary. This paper presents the quantitative evaluation of elemental analysis and chemical characterization of oriented and random oriented clay particles using X-ray spectroscopy. Three different types of clays namely marine clay, bentonite and kaolin clay were studied. The oriented samples were prepared by placing the dispersed clay in water and left to settle on porous ceramic tiles by applying a relatively weak suction through a vacuum pump. Images form a Scanning Electron Microscope (SEM) was also used to show the comparison between the orientation patterns of both the sample preparation techniques. From the quantitative analysis of the X-ray spectroscopy, oriented sampling method showed more accuracy in identifying mineral deposits, because it produced better peak intensity on the spectrum and more mineral content can be identified compared to randomly oriented samples.

Elastic properties of woven bone: effect of mineral content and collagen fibrils orientation.

PubMed

García-Rodríguez, J; Martínez-Reina, J

2017-02-01

Woven bone is a type of tissue that forms mainly during fracture healing or fetal bone development. Its microstructure can be modeled as a composite with a matrix of mineral (hydroxyapatite) and inclusions of collagen fibrils with a more or less random orientation. In the present study, its elastic properties were estimated as a function of composition (degree of mineralization) and fibril orientation. A self-consistent homogenization scheme considering randomness of inclusions' orientation was used for this purpose. Lacuno-canalicular porosity in the form of periodically distributed void inclusions was also considered. Assuming collagen fibrils to be uniformly oriented in all directions led to an isotropic tissue with a Young's modulus [Formula: see text] GPa, which is of the same order of magnitude as that of woven bone in fracture calluses. By contrast, assuming fibrils to have a preferential orientation resulted in a Young's modulus in the preferential direction of 9-16 GPa depending on the mineral content of the tissue. These results are consistent with experimental evidence for woven bone in foetuses, where collagen fibrils are aligned to a certain extent.

Bilateral robotic priming before task-oriented approach in subacute stroke rehabilitation: a pilot randomized controlled trial.

PubMed

Hsieh, Yu-Wei; Wu, Ching-Yi; Wang, Wei-En; Lin, Keh-Chung; Chang, Ku-Chou; Chen, Chih-Chi; Liu, Chien-Ting

2017-02-01

To investigate the treatment effects of bilateral robotic priming combined with the task-oriented approach on motor impairment, disability, daily function, and quality of life in patients with subacute stroke. A randomized controlled trial. Occupational therapy clinics in medical centers. Thirty-one subacute stroke patients were recruited. Participants were randomly assigned to receive bilateral priming combined with the task-oriented approach (i.e., primed group) or to the task-oriented approach alone (i.e., unprimed group) for 90 minutes/day, 5 days/week for 4 weeks. The primed group began with the bilateral priming technique by using a bimanual robot-aided device. Motor impairments were assessed by the Fugal-Meyer Assessment, grip strength, and the Box and Block Test. Disability and daily function were measured by the modified Rankin Scale, the Functional Independence Measure, and actigraphy. Quality of life was examined by the Stroke Impact Scale. The primed and unprimed groups improved significantly on most outcomes over time. The primed group demonstrated significantly better improvement on the Stroke Impact Scale strength subscale ( p = 0.012) and a trend for greater improvement on the modified Rankin Scale ( p = 0.065) than the unprimed group. Bilateral priming combined with the task-oriented approach elicited more improvements in self-reported strength and disability degrees than the task-oriented approach by itself. Further large-scale research with at least 31 participants in each intervention group is suggested to confirm the study findings.

Measuring market orientation: further evidence on Narver and Slater's three-component scale.

PubMed

Chakrabarty, Subhra; Rogé, Joseph N

2003-12-01

A mail survey of a national random sample of 2,000 marketing managers was conducted. The data provided by 222 respondents were analyzed to assess the dimensionality of Narver and Slater's 15-item measure of market orientation. A confirmatory factor analysis, using LISREL 8.53, provided support for each of the separate dimensions of customer orientation, competitor orientation, and interfunctional coordination. However, a combined 3-factor model of market orientation was not supported. Directions for research are suggested.

Medium scale carbon nanotube thin film integrated circuits on flexible plastic substrates

DOEpatents

Rogers, John A; Cao, Qing; Alam, Muhammad; Pimparkar, Ninad

2015-02-03

The present invention provides device components geometries and fabrication strategies for enhancing the electronic performance of electronic devices based on thin films of randomly oriented or partially aligned semiconducting nanotubes. In certain aspects, devices and methods of the present invention incorporate a patterned layer of randomly oriented or partially aligned carbon nanotubes, such as one or more interconnected SWNT networks, providing a semiconductor channel exhibiting improved electronic properties relative to conventional nanotubes-based electronic systems.

Early Visual Cortex Dynamics during Top-Down Modulated Shifts of Feature-Selective Attention.

PubMed

Müller, Matthias M; Trautmann, Mireille; Keitel, Christian

2016-04-01

Shifting attention from one color to another color or from color to another feature dimension such as shape or orientation is imperative when searching for a certain object in a cluttered scene. Most attention models that emphasize feature-based selection implicitly assume that all shifts in feature-selective attention underlie identical temporal dynamics. Here, we recorded time courses of behavioral data and steady-state visual evoked potentials (SSVEPs), an objective electrophysiological measure of neural dynamics in early visual cortex to investigate temporal dynamics when participants shifted attention from color or orientation toward color or orientation, respectively. SSVEPs were elicited by four random dot kinematograms that flickered at different frequencies. Each random dot kinematogram was composed of dashes that uniquely combined two features from the dimensions color (red or blue) and orientation (slash or backslash). Participants were cued to attend to one feature (such as color or orientation) and respond to coherent motion targets of the to-be-attended feature. We found that shifts toward color occurred earlier after the shifting cue compared with shifts toward orientation, regardless of the original feature (i.e., color or orientation). This was paralleled in SSVEP amplitude modulations as well as in the time course of behavioral data. Overall, our results suggest different neural dynamics during shifts of attention from color and orientation and the respective shifting destinations, namely, either toward color or toward orientation.

Method for production of free-standing polycrystalline boron phosphide film

DOEpatents

Baughman, Richard J.; Ginley, David S.

1985-01-01

A process for producing a free-standing polycrystalline boron phosphide film comprises growing a film of boron phosphide in a vertical growth apparatus on a metal substrate. The metal substrate has a coefficient of thermal expansion sufficiently different from that of boron phosphide that the film separates cleanly from the substrate upon cooling thereof, and the substrate is preferably titanium. The invention also comprises a free-standing polycrystalline boron phosphide film for use in electronic device fabrication.

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

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

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

2015-02-01

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

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

Solla, E.L., E-mail: esolla@uvigo.es

Herein, we report on the micro- and nanostructure of the calcium phosphate coating produced by pulsed laser deposition (PLD), using focused ion beam (FIB) lamella sample preparation and transmission electron microscopy (TEM) as the characterization technique. The initial selected area electron diffraction (SAED) data demonstrated the presence of hydroxyapatite (HA) over any other possible calcium phosphate crystalline structure and the polycrystalline nature of the coating. Moreover, the SAED analyses showed clear textured ring patterns coherent with the presence of a preferred orientation in the HA nano-crystal growth. The SAED data also indicated that the coating appears to be textured inmore » the 〈002〉 crystalline direction. Dark-field images obtained using 002 as the working reflection showed a clear oriented crystal growth in columns, from bottom to top. These columns have a peculiar arrangement of nano-crystals since, in some cases, the preferred orientation appears to start at a certain distance from the substrate. Direct d-spacing measurements on high-resolution TEM images provided further proof of the presence of an HA nano-crystal structure. The reported data may be of interest in the future to adjust the microstructure of the HA coatings. - Highlights: •The FIB lift-out technique allows a very site-specific sample preparation method for HRTEM analysis. •It also permits a fast assessment of the HA coating thickness and elemental composition (EDS). •The coatings exhibit a nano-crystalline nature, with a texturing effect along the 002 planes. •PLD is suitable for the production of crystalline c-axis oriented hydroxyapatite coatings. •The crystalline HA phase in the PLD coating is very similar to the present in bone.« less

Systematic study of polycrystalline flow during tension test of sheet 304 austenitic stainless steel at room temperature

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

Muñoz-Andrade, Juan D., E-mail: jdma@correo.azc.uam.mx

2013-12-16

By systematic study the mapping of polycrystalline flow of sheet 304 austenitic stainless steel (ASS) during tension test at constant crosshead velocity at room temperature was obtained. The main results establish that the trajectory of crystals in the polycrystalline spatially extended system (PCSES), during irreversible deformation process obey a hyperbolic motion. Where, the ratio between the expansion velocity of the field and the velocity of the field source is not constant and the field lines of such trajectory of crystals become curved, this accelerated motion is called a hyperbolic motion. Such behavior is assisted by dislocations dynamics and self-accommodation processmore » between crystals in the PCSES. Furthermore, by applying the quantum mechanics and relativistic model proposed by Muñoz-Andrade, the activation energy for polycrystalline flow during the tension test of 304 ASS was calculated for each instant in a global form. In conclusion was established that the mapping of the polycrystalline flow is fundamental to describe in an integral way the phenomenology and mechanics of irreversible deformation processes.« less

Systematic study of polycrystalline flow during tension test of sheet 304 austenitic stainless steel at room temperature

NASA Astrophysics Data System (ADS)

Muñoz-Andrade, Juan D.

2013-12-01

By systematic study the mapping of polycrystalline flow of sheet 304 austenitic stainless steel (ASS) during tension test at constant crosshead velocity at room temperature was obtained. The main results establish that the trajectory of crystals in the polycrystalline spatially extended system (PCSES), during irreversible deformation process obey a hyperbolic motion. Where, the ratio between the expansion velocity of the field and the velocity of the field source is not constant and the field lines of such trajectory of crystals become curved, this accelerated motion is called a hyperbolic motion. Such behavior is assisted by dislocations dynamics and self-accommodation process between crystals in the PCSES. Furthermore, by applying the quantum mechanics and relativistic model proposed by Muñoz-Andrade, the activation energy for polycrystalline flow during the tension test of 304 ASS was calculated for each instant in a global form. In conclusion was established that the mapping of the polycrystalline flow is fundamental to describe in an integral way the phenomenology and mechanics of irreversible deformation processes.

Ferromagnetic order in epitaxially strained LaCoO3 thin films

NASA Astrophysics Data System (ADS)

Fuchs, D.; Pinta, C.; Schwarz, T.; Schweiss, P.; Nagel, P.; Schuppler, S.; Schneider, R.; Merz, M.; Roth, G.; v. Löhneysen, H.

2007-04-01

LaCoO3 films grown epitaxially on ⟨001⟩ oriented (LaAlO3)0.3(Sr2AlTaO6)0.7 substrates by pulsed laser deposition exhibit ferromagnetic ordering below a critical temperature, Tc , of 85K . Polycrystalline films of LaCoO3 prepared in the same way did not show ferromagnetic order down to T≈5K , and their temperature dependent susceptibility was identical to that of bulk LaCoO3 . The ferromagnetism in epitaxial films is not simply a property of the surface region, rather it extends over the complete film thickness, as shown by the linear increase of the saturated magnetic moment with increasing film thickness. We discuss this surprising result in terms of epitaxial tensile strain via the properly chosen substrate inducing ferromagnetic order.

Utilizing broadband X-rays in a Bragg coherent X-ray diffraction imaging experiment

DOE PAGES

Cha, Wonsuk; Liu, Wenjun; Harder, Ross; ...

2016-07-26

A method is presented to simplify Bragg coherent X-ray diffraction imaging studies of complex heterogeneous crystalline materials with a two-stage screening/imaging process that utilizes polychromatic and monochromatic coherent X-rays and is compatible with in situ sample environments. Coherent white-beam diffraction is used to identify an individual crystal particle or grain that displays desired properties within a larger population. A three-dimensional reciprocal-space map suitable for diffraction imaging is then measured for the Bragg peak of interest using a monochromatic beam energy scan that requires no sample motion, thus simplifyingin situchamber design. This approach was demonstrated with Au nanoparticles and will enable,more » for example, individual grains in a polycrystalline material of specific orientation to be selected, then imaged in three dimensions while under load.« less

Microstructures and thermochromic characteristics of VO2/AZO composite films

NASA Astrophysics Data System (ADS)

Xiao, Han; Li, Yi; Yuan, Wenrui; Fang, Baoying; Wang, Xiaohua; Hao, Rulong; Wu, Zhengyi; Xu, Tingting; Jiang, Wei; Chen, Peizu

2016-05-01

A vanadium dioxide (VO2) thin film was fabricated on a ZnO doped with Al (AZO) conductive glass by magnetron sputtering at room temperature followed by annealing under air atmosphere. The microstructures and optical properties of the thin film were studied. The results showed that the VO2/AZO composite film was poly-crystalline and the AZO layer did not change the preferred growth orientation of VO2. Compared to the VO2 film fabricated on soda-lime glass substrate through the same process and condition, the phase transition temperature of the VO2/AZO composite film was decreased by about 25 °C, thermal hysteresis width narrowed to 6 °C, the visible light transmittance was over 50%, the infrared transmittances before and after phase transition were 21% and 55%, respectively at 1500 nm.

TEM observations of radiation damage in tungsten irradiated by 20 MeV W ions

NASA Astrophysics Data System (ADS)

Ciupiński, Ł.; Ogorodnikova, O. V.; Płociński, T.; Andrzejczuk, M.; Rasiński, M.; Mayer, M.; Kurzydłowski, K. J.

2013-12-01

Polycrystalline, recrystallized W targets were subjected to implantation with 20 MeV W6+ ions in order to simulate radiation damage caused by fusion neutrons. Three samples with cumulative damage of 0.01, 0.1 and 0.89 dpa were produced. The near-surface zone of each sample has been analyzed by transmission electron microscopy (TEM). To this end, lamellae oriented perpendicularly to the targets implanted surface were milled out using focused ion beam (FIB). A reference lamella from non-irradiated, recrystallized W target was also prepared to estimate the damage introduced during FIB processing. TEM studies revealed a complex microstructure of the damaged zones as well as its evolution with cumulative damage level. The experimentally observed damage depth agrees very well with the one calculated using the Stopping and Range of Ions in Matter (SRIM) software.

Low-Temperature epitaxial growth of InGaAs films on InP(100) and InP(411) A substrates

NASA Astrophysics Data System (ADS)

Galiev, G. B.; Klimova, E. A.; Pushkarev, S. S.; Klochkov, A. N.; Trunkin, I. N.; Vasiliev, A. L.; Maltsev, P. P.

2017-07-01

The structural and electrical characteristics of In0.53Ga0.47As epitaxial films, grown in the low-temperature mode on InP substrates with (100) and (411) A crystallographic orientations at flow ratios of As4 molecules and In and Ga atoms of γ = 29 and 90, have been comprehensively studied. The use of InP(411) A substrates is shown to increase the probability of forming two-dimensional defects (twins, stacking faults, dislocations, and grain boundaries), thus reducing the mobility of free electrons, and AsGa point defects, which act as donors and increase the free-electron concentration. An increase in γ from 29 to 90 leads to transformation of single-crystal InGaAs films grown on (100) and (411) A substrates into polycrystalline ones.

Structural and morphological properties of ITO thin films grown by magnetron sputtering

NASA Astrophysics Data System (ADS)

Ghorannevis, Z.; Akbarnejad, E.; Ghoranneviss, M.

2015-10-01

Physical properties of transparent and conducting indium tin oxide (ITO) thin films grown by radiofrequency (RF) magnetron sputtering are studied systematically by changing deposition time. The X-ray diffraction (XRD) data indicate polycrystalline thin films with grain orientations predominantly along the (2 2 2) and (4 0 0) directions. From atomic force microscopy (AFM) it is found that by increasing the deposition time, the roughness of the film increases. Scanning electron microscopy (SEM) images show a network of a high-porosity interconnected nanoparticles, which approximately have a pore size ranging between 20 and 30 nm. Optical measurements suggest an average transmission of 80 % for the ITO films. Sheet resistances are investigated using four-point probes, which imply that by increasing the film thickness the resistivities of the films decrease to 2.43 × 10-5 Ω cm.

Correlation of electron backscatter diffraction and piezoresponse force microscopy for the nanoscale characterization of ferroelectric domains in polycrystalline lead zirconate titanate

NASA Astrophysics Data System (ADS)

Burnett, T. L.; Weaver, P. M.; Blackburn, J. F.; Stewart, M.; Cain, M. G.

2010-08-01

The functional properties of ferroelectric ceramic bulk or thin film materials are strongly influenced by their nanostructure, crystallographic orientation, and structural geometry. In this paper, we show how, by combining textural analysis, through electron backscattered diffraction, with piezoresponse force microscopy, quantitative measurements of the piezoelectric properties can be made at a scale of 25 nm, smaller than the domain size. The combined technique is used to obtain data on the domain-resolved effective single crystal piezoelectric response of individual crystallites in Pb(Zr0.4Ti0.6)O3 ceramics. The results offer insight into the science of domain engineering and provide a tool for the future development of new nanostructured ferroelectric materials for memory, nanoactuators, and sensors based on magnetoelectric multiferroics.

Influence of Microtexture on Early Plastic Slip Activity in Ti-6Al-4V Polycrystals

NASA Astrophysics Data System (ADS)

Hémery, Samuel; Dang, Van Truong; Signor, Loïc; Villechaise, Patrick

2018-06-01

Microtextured regions are known to influence the fatigue performance of titanium alloys. Previous studies revealed that crack initiation, accounting for most of the fatigue life, is triggered by slip activity. The influence of microtextured regions on the early plastic slip activity was presently investigated by means of an in situ tensile test performed inside a scanning electron microscope on a bimodal Ti-6Al-4V polycrystalline specimen. A slip trace analysis was carried out in several regions with different crystallographic textures to highlight potentially different deformation behaviors. Significant stress heterogeneities were revealed through an early slip activation in microtextured regions with a predominant [0001] orientation. This point was shown to be related to a locally increased resolved shear stress. Consequences on behavior under cyclic loadings are finally discussed.

Advanced carbon-based material C{sub 60} modification using partially ionized cluster and energetic beams

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

Du Yuancheng; Ren Zhongmin; Ning Zhifeng

1997-06-20

Two processes have been undertaken using Partially ionized cluster deposition (PICBD) and energetic ion bombardment beams deposition (IBD) respectively. C{sub 60} films deposited by PICBD at V=0 and 65 V, which result in highly textured close-packed structure in orientation (110) and being more polycrystalline respectively, the resistance of C{sub 60} films to oxygen diffusion contamination will be improved. In the case of PICBD, the ionized C{sub 60} soccer-balls molecules in the evaporation beams will be fragmented in collision with the substrate under the elevated accelerating fields Va. As a new synthetic IBD processing, two low energy (400 and 1000 eV)more » nitrogen ion beams have been used to bombard C{sub 60} films to synthesize the carbon nitride films.« less

Epitaxial growth of iridate pyrochlore Nd 2Ir 2O 7 films

DOE PAGES

Gallagher, J. C.; Esser, B. D.; Morrow, R.; ...

2016-02-29

Epitaxial films of the pyrochlore Nd 2Ir 2O 7 have been grown on (111)-oriented yttria-stabilized zirconia (YSZ) substrates by off-axis sputtering followed by post-growth annealing. X-ray diffraction (XRD) results demonstrate phase-pure epitaxial growth of the pyrochlore films on YSZ. Scanning transmission electron microscopy (STEM) investigation of an Nd 2Ir 2O 7 film with a short post-annealing provides insight into the mechanism for crystallization of Nd 2Ir 2O 7 during the post-annealing process. STEM images reveal clear pyrochlore ordering of Nd and Ir in the films. As a result, the epitaxial relationship between the YSZ and Nd 2Ir 2O 7 ismore » observed clearly while some interfacial regions show a thin region with polycrystalline Ir nanocrystals.« less

Physics of Shock Compression and Release: NEMD Simulations of Tantalum and Silicon

NASA Astrophysics Data System (ADS)

Hahn, Eric; Meyers, Marc; Zhao, Shiteng; Remington, Bruce; Bringa, Eduardo; Germann, Tim; Ravelo, Ramon; Hammerberg, James

2015-06-01

Shock compression and release allow us to evaluate physical deformation and damage mechanisms occurring in extreme environments. SPaSM and LAMMPS molecular dynamics codes were employed to simulate single and polycrystalline tantalum and silicon at strain rates above 108 s-1. Visualization and analysis was accomplished using OVITO, Crystal Analysis Tool, and a redesigned orientation imaging function implemented into SPaSM. A comparison between interatomic potentials for both Si and Ta (as pertaining to shock conditions) is conducted and the influence on phase transformation and plastic relaxation is discussed. Partial dislocations, shear induced disordering, and metastable phase changes are observed in compressed silicon. For tantalum, the role of grain boundary and twin intersections are evaluated for their role in ductile spallation. Finally, the temperature dependent response of both Ta and Si is investigated.

Utilizing broadband X-rays in a Bragg coherent X-ray diffraction imaging experiment.

PubMed

Cha, Wonsuk; Liu, Wenjun; Harder, Ross; Xu, Ruqing; Fuoss, Paul H; Hruszkewycz, Stephan O

2016-09-01

A method is presented to simplify Bragg coherent X-ray diffraction imaging studies of complex heterogeneous crystalline materials with a two-stage screening/imaging process that utilizes polychromatic and monochromatic coherent X-rays and is compatible with in situ sample environments. Coherent white-beam diffraction is used to identify an individual crystal particle or grain that displays desired properties within a larger population. A three-dimensional reciprocal-space map suitable for diffraction imaging is then measured for the Bragg peak of interest using a monochromatic beam energy scan that requires no sample motion, thus simplifying in situ chamber design. This approach was demonstrated with Au nanoparticles and will enable, for example, individual grains in a polycrystalline material of specific orientation to be selected, then imaged in three dimensions while under load.

Quantitative methods for estimating the anisotropy of the strength properties and the phase composition of Mg-Al alloys

NASA Astrophysics Data System (ADS)

Betsofen, S. Ya.; Kolobov, Yu. R.; Volkova, E. F.; Bozhko, S. A.; Voskresenskaya, I. I.

2015-04-01

Quantitative methods have been developed to estimate the anisotropy of the strength properties and to determine the phase composition of Mg-Al alloys. The efficiency of the methods is confirmed for MA5 alloy subjected to severe plastic deformation. It is shown that the Taylor factors calculated for basal slip averaged over all orientations of a polycrystalline aggregate with allowance for texture can be used for a quantitative estimation of the contribution of the texture of semifinished magnesium alloy products to the anisotropy of their strength properties. A technique of determining the composition of a solid solution and the intermetallic phase Al12Mg17 content is developed using the measurement of the lattice parameters of the solid solution and the known dependence of these lattice parameters on the composition.

Direct measurement of critical resolved shear stress of prismatic and basal slip in polycrystalline Ti using high energy X-ray diffraction microscopy

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

Wang, L.; Zheng, Z.; Phukan, H.

Knowledge of the critical resolved shear stress (CRSS) values of different slip modes is important for accurately modeling plastic deformation of hexagonal materials. Here, we demonstrate that CRSS can be directly measured with an in-situ high energy X-ray diffraction microscopy (HEDM) experiment. A commercially pure Ti tensile specimen was deformed up to 2.6% strain. In-situ far-field HEDM experiments were carried out to track the evolution of crystallographic orientations, centers of masses, and stress states of 1153 grains in a material volume of 1.1mm×1mm×1mm. Predominant prismatic slip was identified in 18 grains, where the orientation change occurred primarily by rotation aroundmore » the c-axis during specimen deformation. By analyzing the resolved shear stress on individual slip systems, the estimated CRSS for prismatic slip is 96±18 MPa. Predominant basal slip was identified in 22 other grains, where the 2 orientation change occurred primarily by tilting the c-axis about an axis in the basal plane. The estimated CRSS for basal slip is 127±33 MPa. The ratio of CRSS basal/CRSS prismatic is in the range of 1.7-2.1. From indirect assessment, the CRSS for pyramidal < c+a > slip is likely greater than 240MPa. Lastly, grain size and free surface effects on the CRSS value in different grains are also examined.« less