WorldWideScience

Sample records for face-centered cubic fcc

  1. Simulation for F.C.C. deformation texture by modified pencil glide theory[Face Centered Cubic

    Energy Technology Data Exchange (ETDEWEB)

    Masui, H.

    1999-11-26

    Inspired by the pencil glide theory for b.c.c. metal, modified pencil glide theory for f.c.c. metal was proposed, dividing the 12 glide systems of f.c.c. metal into three groups individually composed of eight {l{underscore}brace}111{r{underscore}brace}{l{underscore}angle}110{r{underscore}angle} glide systems around the principal axes X[100], Y[010] and Z[001]. These assumptions yielded two mathematical solutions {Omega}(3) and {Omega}(1). In {Omega}(3), from the three groups with four complete conjugated glide systems composed of, respectively, two glide systems of common {l{underscore}angle}110{r{underscore}angle} direction, only one group with the maximum plastic work may operate if the requirements are satisfied, otherwise glide systems in {Omega}(1) where one of the four conjugated glide systems is zero are activated. The model considering the 12 glide systems of f.c.c. as a whole explained many experimentally stable orientations in axisymmetric and rolling deformation. The differences between the two pencil glide theories for b.c.c. and f.c.c. are also discussed with data.

  2. Face-Centered-Cubic Nanostructured Polymer Foams

    Science.gov (United States)

    Cui, C.; Baughman, R. H.; Liu, L. M.; Zakhidov, A. A.; Khayrullin, I. I.

    1998-03-01

    Beautifully iridescent polymer foams having Fm-3m cubic symmetry and periodicities on the scale of the wavelength of light have been synthesized by the templating of porous synthetic opals. These fabrication processes involve the filling of porous SiO2 opals (with typical cubic lattice parameters of 250 nm) with either polymers or polymer precursors, polymerization of the precursors if necessary, and removal of the fcc array of SiO2 balls to provide an all-polymer structure. The structures of these foams are similar to periodic minimal surfaces, although the Gaussian curvature can have both positive and negative values. Depending upon whether the internal surfaces of the opal are polymer filled or polymer coated, the polymer replica has either one or two sets of independent channels. We fill these channels with semiconductors, metals, or superconductors to provide electronic and optical materials with novel properties dependent on the nanoscale periodicity.

  3. Geometric structure, electronic structure and optical absorption properties of one-dimensional thiolate-protected gold clusters containing a quasi-face-centered-cubic (quasi-fcc) Au-core: a density-functional theoretical study.

    Science.gov (United States)

    Ma, Zhongyun; Wang, Pu; Pei, Yong

    2016-09-29

    Based on the recently reported atomic structures of thiolate-protected Au28(SR)20, Au36(SR)24, Au44(SR)28, and Au52(SR)32 clusters, a family of homogeneous, linear, thiolate-protected gold superstructures containing novel quasi-face-centered-cubic (quasi-fcc) Au-cores is theoretically envisioned, denoted as the Au20+8N(SR)16+4N cluster. By means of density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations, a unified view of the geometric structure, electronic structure, magic stable size and size-dependent NIR absorption properties of Au20+8N(SR)16+4N clusters is provided. We find that the Au20+8N(SR)16+4N clusters demonstrate oscillating transformation energies dependent on N. The odd-N clusters show more favorable (negative) reaction energies than the even-N clusters. The magic stability of recently reported Au28(SR)20, Au36(SR)24, Au44(SR)28, Au52(SR)32 and Au76(SR)44 clusters can be addressed from the relative reaction energies and geometric distortion of Au-cores. A novel 4N + 4 magic electron-number is suggested for the Au20+8N(SR)16+4N cluster. Using the polyhedral skeletal electron pair theory (PSEPT) and the extended Hückel molecular orbital (EHMO) calculations, we suggest that the magic 4N + 4 electron number is correlated with the quasi-fcc Au-cores, which can be viewed as double helical tetrahedron-Au4 chains. The size-dependent optical absorption properties of Au20+8N(SR)16+4N clusters are revealed based on TD-DFT calculations. We propose that these clusters are potential candidates for the experimental synthesis of atomically precise one-dimensional ligand protected gold superstructures with tunable NIR absorption properties.

  4. Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters

    Science.gov (United States)

    Souza, T. X. R.; Macedo, C. A.

    2016-01-01

    In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh’s conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653

  5. Infinite Face Centered Cubic Network of Identical Resistors

    CERN Document Server

    Asad, J H

    2012-01-01

    The equivalent resistance between the origin and any other lattice site, in an infinite Face Centered Cubic network consisting from identical resistors, has been expressed rationally in terms of the known value and . The asymptotic behavior is investigated, and some calculated values for the equivalent resistance are presented.

  6. Discovery of face-centered-cubic ruthenium nanoparticles: facile size-controlled synthesis using the chemical reduction method.

    Science.gov (United States)

    Kusada, Kohei; Kobayashi, Hirokazu; Yamamoto, Tomokazu; Matsumura, Syo; Sumi, Naoya; Sato, Katsutoshi; Nagaoka, Katsutoshi; Kubota, Yoshiki; Kitagawa, Hiroshi

    2013-04-17

    We report the first discovery of pure face-centered-cubic (fcc) Ru nanoparticles. Although the fcc structure does not exist in the bulk Ru phase diagram, fcc Ru was obtained at room temperature because of the nanosize effect. We succeeded in separately synthesizing uniformly sized nanoparticles of both fcc and hcp Ru having diameters of 2-5.5 nm by simple chemical reduction methods with different metal precursors. The prepared fcc and hcp nanoparticles were both supported on γ-Al2O3, and their catalytic activities in CO oxidation were investigated and found to depend on their structure and size.

  7. Weyl points and topological nodal superfluids in a face-centered-cubic optical lattice

    Science.gov (United States)

    Lang, Li-Jun; Zhang, Shao-Liang; Law, K. T.; Zhou, Qi

    2017-07-01

    We point out that a face-centered-cubic (fcc) optical lattice, which can be realized by a simple scheme using three lasers, provides one a highly controllable platform for creating Weyl points and topological nodal superfluids in ultracold atoms. In noninteracting systems, Weyl points automatically arise in the Floquet band structure when shaking such fcc lattices, and sophisticated design of the tunneling is not required. More interestingly, in the presence of attractive interaction between two hyperfine spin states, which experience the same shaken fcc lattice, a three-dimensional topological nodal superfluid emerges, and Weyl points show up as the gapless points in the quasiparticle spectrum. One could either create a double Weyl point of charge 2, or split it into two Weyl points of charge 1, which can be moved in the momentum space by tuning the interactions. Correspondingly, the Fermi arcs at the surface may be linked with each other or separated as individual ones.

  8. Design of new face-centered cubic high entropy alloys by thermodynamic calculation

    Science.gov (United States)

    Choi, Won-Mi; Jung, Seungmun; Jo, Yong Hee; Lee, Sunghak; Lee, Byeong-Joo

    2017-09-01

    A new face-centered cubic (fcc) high entropy alloy system with non-equiatomic compositions has been designed by utilizing a CALculation of PHAse Diagram (CALPHAD) - type thermodynamic calculation technique. The new alloy system is based on the representative fcc high entropy alloy, the Cantor alloy which is an equiatomic Co- Cr-Fe-Mn-Ni five-component alloy, but fully or partly replace the cobalt by vanadium and is of non-equiatomic compositions. Alloy compositions expected to have an fcc single-phase structure between 700 °C and melting temperatures are proposed. All the proposed alloys are experimentally confirmed to have the fcc single-phase during materials processes (> 800 °C), through an X-ray diffraction analysis. It is shown that there are more chances to find fcc single-phase high entropy alloys if paying attention to non-equiatomic composition regions and that the CALPHAD thermodynamic calculation can be an efficient tool for it. An alloy design technique based on thermodynamic calculation is demonstrated and the applicability and limitation of the approach as a design tool for high entropy alloys is discussed.

  9. Ytterbium: Transition at High Pressure from Face-Centered Cubic to Body-Centered Cubic Structure.

    Science.gov (United States)

    Hall, H T; Barnett, J D; Merrill, L

    1963-01-11

    Pressure of 40,000 atmospheres at 25 degrees C induces a phase transformation in ytterbium metal; the face-centered cubic structure changes to body-centered cubic. The radius of the atom changes from 1.82 to 1.75 A. At the same time the atom's volume decreases by 11 percent and the volume, observed macroscopically, decreases 3.2 percent.

  10. Synthesis and photonic band calculations of NCP face-centered cubic photonic crystals of TiO2 hollow spheres.

    Science.gov (United States)

    Zhu, Yong-zheng; Cao, Yan-ling; Li, Zhi-hui; Ding, Juan; Liu, Jun-song; Chi, Yuan-bin

    2007-02-01

    With the help of self-assembly, thermal sintering, selective etching techniques and sol-gel process, the non-close packed (ncp) face-centered cubic (fcc) photonic crystals of titanium dioxide (TiO2) hollow spheres connected by TiO2 cylindrical tubes have been fabricated using silica template. The photonic bandgap calculations indicate that the ncp structure of TiO2 hollow spheres was easier to open the pseudogaps than close packed system at the lowest energy.

  11. Wang-Landau sampling in face-centered-cubic hydrophobic-hydrophilic lattice model proteins.

    Science.gov (United States)

    Liu, Jingfa; Song, Beibei; Yao, Yonglei; Xue, Yu; Liu, Wenjie; Liu, Zhaoxia

    2014-10-01

    Finding the global minimum-energy structure is one of the main problems of protein structure prediction. The face-centered-cubic (fcc) hydrophobic-hydrophilic (HP) lattice model can reach high approximation ratios of real protein structures, so the fcc lattice model is a good choice to predict the protein structures. The lacking of an effective global optimization method is the key obstacle in solving this problem. The Wang-Landau sampling method is especially useful for complex systems with a rough energy landscape and has been successfully applied to solving many optimization problems. We apply the improved Wang-Landau (IWL) sampling method, which incorporates the generation of an initial conformation based on the greedy strategy and the neighborhood strategy based on pull moves into the Wang-Landau sampling method to predict the protein structures on the fcc HP lattice model. Unlike conventional Monte Carlo simulations that generate a probability distribution at a given temperature, the Wang-Landau sampling method can estimate the density of states accurately via a random walk, which produces a flat histogram in energy space. We test 12 general benchmark instances on both two-dimensional and three-dimensional (3D) fcc HP lattice models. The lowest energies by the IWL sampling method are as good as or better than those of other methods in the literature for all instances. We then test five sets of larger-scale instances, denoted by the S, R, F90, F180, and CASP target instances on the 3D fcc HP lattice model. The numerical results show that our algorithm performs better than the other five methods in the literature on both the lowest energies and the average lowest energies in all runs. The IWL sampling method turns out to be a powerful tool to study the structure prediction of the fcc HP lattice model proteins.

  12. Consistent Analytic Embedded Atom Potential for Face-Centered Cubic Metals and Alloys

    Institute of Scientific and Technical Information of China (English)

    Iyad A. Hijazi; Young Ho Park

    2009-01-01

    A consistent empirical embedded-atom potential that includes a long range force was developed for fcc (face-centered cubic) metals and alloys. The proposed potential for pure metals does not require modification of the initial function form when being applied to alloy systems. The potential parameters of this model were determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energies of the pure metals and the heats of solution of the binary alloys via an optimization technique. Parameters for Ag, Al, Au, Cu, Ni, Pd and Pt were obtained. The obtained parameters were used to calculate the bulk modulus, divacancy formation energy, crystal stability, stacking fault energy, vacancy migration energy, and melting point for each pure metal and the heats of formation and lattice constants for binary alloys. The predicted values were in good agreement with experimental results.

  13. A Face Centered Cubic Key Agreement Mechanism for Mobile Ad Hoc Networks

    Science.gov (United States)

    Askoxylakis, Ioannis G.; Markantonakis, Konstantinos; Tryfonas, Theo; May, John; Traganitis, Apostolos

    Mobile ad hoc networking is an operating mode for rapid mobile node networking. Each node relies on adjacent nodes in order to achieve and maintain connectivity and functionality. Security is considered among the main issues for the successful deployment of mobile ad hoc networks (MANETs). In this paper we introduce a weak to strong authentication mechanism associated with a multiparty contributory key establishment method. The latter is designed for MANETs with dynamic changing topologies, due to continuous flow of incoming and departing nodes. We introduce a new cube algorithm based on the face-centered cubic (FCC) structure. The proposed architecture employs elliptic curve cryptography, which is considered more efficient for thin clients where processing power and energy consumption are significant constraints.

  14. Mixed structural face-centered cubic and body-centered cubic orders in near stoichiometric Fe2MnGa alloys

    Science.gov (United States)

    Kudryavtsev, Y. V.; Perekos, A. E.; Uvarov, N. V.; Kolchiba, M. R.; Synoradzki, K.; Dubowik, J.

    2016-05-01

    Magnetic and transport properties of near stoichiometric metastable FexMnyGaz alloys (46 ≤ x ≤ 52, 17 ≤ y ≤ 25, 26 ≤ z ≤ 30) with face-centered cubic (FCC), body-centered cubic (BCC), and two-phase (FCC + BCC) structures are investigated. The experimental results are analyzed in terms of first-principles calculations of stoichiometric Fe2MnGa alloy with the L21, L12, and the tetragonally distorted L21 structural orderings. It is shown that the pure BCC and FCC phases have distinct magnetic and transport properties. Two-phase Fe2MnGa alloys have magnetic and transport properties typical of the mixed BCC and FCC phases. Among the investigated alloys, Fe46Mn24Ga30 has a martensitic transformation accompanied with significant changes of its magnetic and transport properties.

  15. Carbon coated face-centered cubic Ru-C nanoalloys.

    Science.gov (United States)

    Zhao, Zhisheng; Meng, Chuanmin; Li, Peifang; Zhu, Wenjun; Wang, Qianqian; Ma, Yanming; Shen, Guoyin; Bai, Ligang; He, Hongliang; He, Duanwei; Yu, Dongli; He, Julong; Xu, Bo; Tian, Yongjun

    2014-09-07

    Carbon-encapsulated ruthenium-carbon (Ru-C) nanoalloys were synthesized by dynamic shocks. The Ru-C alloy shows a new fcc structure different from the original hcp structure of metal Ru. This fcc phase is assigned to a Ru32C4 solid solution with a lattice parameter of 3.868(2) Å and a bulk modulus KT0 of 272(12) GPa. The small amount of carbon in the solid solution enhances the thermodynamic and chemical stabilities with respect to pure Ru, as well as induces changes in the electronic properties, which have direct applications in improving the material's catalytic activity and selectivity.

  16. Direct Numerical Simulation of turbulent flow in a porous, face centered cubic cell

    Science.gov (United States)

    He, Xiaoliang; Apte, Sourabh; Wood, Brian

    2014-11-01

    DNS of flow through a 3D, periodic, face centered cubic (FCC) unit cell geometry at Re = 300 , 550, and 950 based on diameter is performed. This low porosity arrangement of spheres is characterized by rapid flow expansions and contractions, and thus features an early onset to turbulence. The simulations are performed using a fictitious domain approach [Apte et al., J. Comp. Physics 2009], which uses non-body conforming Cartesian grids, with resolution up to D / Δ = 250 (3543 cells total). The results are used to investigate the structure of turbulence in the Eulerian and Lagrangian frames, the distribution and budget of turbulent kinetic energy, and the characteristics of the energy spectrum in complex packed beds and porous media. The porescale flow physics, which are important to properties such as bulk mixing performance and permeability, are investigated. Specifically, the data generated is being used to understand the important turbulence characteristics in low porosity packed beds of relevance for heat tranfer applications in chemical/nuclear reactors. Funding: NSF Project Number 1336983.

  17. Formation mechanism of fivefold deformation twins in a face-centered cubic alloy

    Science.gov (United States)

    Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

    2017-01-01

    The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins. PMID:28349995

  18. Formation mechanism of fivefold deformation twins in a face-centered cubic alloy.

    Science.gov (United States)

    Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

    2017-03-28

    The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

  19. High pressure-induced distortion in face-centered cubic phase of thallium

    Science.gov (United States)

    Kotmool, Komsilp; Li, Bing; Chakraborty, Sudip; Bovornratanaraks, Thiti; Luo, Wei; Mao, Ho-kwang; Ahuja, Rajeev

    2016-10-01

    The complex and unusual high-pressure phase transition of III-A (i.e. Al, Ga, and In) metals have been investigated in the last several decades because of their interesting periodic table position between the elements having metallic and covalent bonding. Our present first principles-based electronic structure calculations and experimental investigation have revealed the unusual distortion in face-centered cubic (f.c.c.) phase of the heavy element thallium (Tl) induced by the high pressure. We have predicted body-centered tetragonal (b.c.t) phase at 83 GPa using an evolutionary algorithm coupled with ab initio calculations, and this prediction has been confirmed with a slightly distorted parameter (2 × a - c)/c lowered by 1% using an angle-dispersive X-ray diffraction technique. The density functional theory (DFT)-based calculations suggest that s-p mixing states and the valence-core overlapping of 6s and 5d states play the most important roles for the phase transitions along the pathway h.c.p→b.c.t.

  20. Kinetics of Hexagonal Cylinders to Face-centered Cubic Spheres Transition of Triblock Copolymer in Selective Solvent: Brownian Dynamics Simulation

    CERN Document Server

    Li, Minghai; Bansil, Rama

    2010-01-01

    The kinetics of the transformation from the hexagonal packed cylinder (HEX) phase to the face-centered-cubic (FCC) phase was simulated using Brownian Dynamics for an ABA triblock copolymer in a selective solvent for the A block. The kinetics was obtained by instantaneously changing either the temperature of the system or the well-depth of the Lennard-Jones potential. Detailed analysis showed that the transformation occurred via a rippling mechanism. The simulation results indicated that the order-order transformation (OOT) was a nucleation and growth process when the temperature of the system instantly jumped from 0.8 to 0.5. The time evolution of the structure factor obtained by Fourier Transformation showed that the peak intensities of the HEX and FCC phases could be fit well by an Avrami equation.

  1. Slanted stacking faults and persistent face centered cubic crystal growth in sedimentary colloidal hard sphere crystals

    NARCIS (Netherlands)

    Hilhorst, J.; Wolters, J. R.; Petukhov, A.V.

    2010-01-01

    Hard sphere crystal growth is a delicate interplay between kinetics and thermodynamics, where the former is commonly thought to favour a random hexagonal close packed structure and the latter leads to a face centered cubic crystal. In this article, we discuss the influence of slanted stacking faults

  2. Exact Evaluation of The Resistance in an Infinite Face- Centered Cubic Network

    CERN Document Server

    Asad, Jihad H

    2012-01-01

    The equivalent resistance between the origin and the lattice site (2n,0,0), in an infinite Face Centered Cubic network consisting from identical resistors each of resistance R, has been expressed in terms of the complete elliptic integral of the first kind, and . The asymptotic behavior is investigated, and some numerical values for the equivalent resistance are presented.

  3. Origin of the catalytic activity of face-centered-cubic ruthenium nanoparticles determined from an atomic-scale structure.

    Science.gov (United States)

    Kumara, L S R; Sakata, Osami; Kohara, Shinji; Yang, Anli; Song, Chulho; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

    2016-11-09

    The 3-dimensional (3D) atomic-scale structure of newly discovered face-centered cubic (fcc) and conventional hexagonal close packed (hcp) type ruthenium (Ru) nanoparticles (NPs) of 2.2 to 5.4 nm diameter were studied using X-ray pair distribution function (PDF) analysis and reverse Monte Carlo (RMC) modeling. Atomic PDF based high-energy X-ray diffraction measurements show highly diffuse X-ray diffraction patterns for fcc- and hcp-type Ru NPs. We here report the atomic-scale structure of Ru NPs in terms of the total structure factor and Fourier-transformed PDF. It is found that the respective NPs have substantial structural disorder over short- to medium-range order atomic distances from the PDF analysis. The first-nearest-neighbor peak analyses show a significant size dependence for the fcc-type Ru NPs demonstrating the increase in the peak height due to an increase in the number density as a function of particle size. The bond angle and coordination number (CN) distribution for the RMC-simulated fcc- and hcp-type Ru NP models indicated inherited structural features from their bulk counterparts. The CN analysis of the whole NP and surface of each RMC model of Ru NPs show the low activation energy packing sites on the fcc-type Ru NP surface atoms. Finally, our newly defined order parameters for RMC simulated Ru NP models suggested that the enhancement of the CO oxidation activity of fcc-type NPs was due to a decrease in the close packing ordering that resulted from the increased NP size. These structural findings could be positively supported for synthesized low-cost and high performance nano-sized catalysts and have potential application in fuel-cell systems and organic synthesis.

  4. Magnetic phase transformations of face-centered cubic and hexagonal close-packed Co at zero Kelvin.

    Science.gov (United States)

    Saal, James E; Shang, ShunLi; Wang, Yi; Liu, Zi-Kui

    2010-03-10

    The 0 K pressure-induced magnetic phase transformations of face-centered cubic (FCC) and hexagonal close packed (HCP) Co have been examined using first-principles calculations. Issues of fitting an equation of state to the first-principles energy versus volume data points containing a magnetic transformation and comparing to experimental phase equilibria are discussed. It is found that a fitting scheme employing only data where the magnetic moment decreases linearly with volume offers a physically meaningful behavior for the equation of state at metastable volumes. From this fitting, the ferromagnetic to nonmagnetic transformations with increasing pressure at 0 K are at 77 GPa and 123 GPa for FCC and HCP, respectively, and are first order and second order, respectively, on the basis of an unambiguous measure proposed in the paper. In addition to the HCP/FCC structure transformation at 99 GPa, another transformation at negative pressures is predicted, at - 31 GPa. These results are shown to be consistent with the extrapolations of the experimental pressure-temperature phase diagram to 0 K.

  5. Magnetic phase transformations of face-centered cubic and hexagonal close-packed Co at zero Kelvin

    Energy Technology Data Exchange (ETDEWEB)

    Saal, James E; Shang Shunli; Wang Yi; Liu Zikui, E-mail: jes531@psu.ed [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802 (United States)

    2010-03-10

    The 0 K pressure-induced magnetic phase transformations of face-centered cubic (FCC) and hexagonal close packed (HCP) Co have been examined using first-principles calculations. Issues of fitting an equation of state to the first-principles energy versus volume data points containing a magnetic transformation and comparing to experimental phase equilibria are discussed. It is found that a fitting scheme employing only data where the magnetic moment decreases linearly with volume offers a physically meaningful behavior for the equation of state at metastable volumes. From this fitting, the ferromagnetic to nonmagnetic transformations with increasing pressure at 0 K are at 77 GPa and 123 GPa for FCC and HCP, respectively, and are first order and second order, respectively, on the basis of an unambiguous measure proposed in the paper. In addition to the HCP/FCC structure transformation at 99 GPa, another transformation at negative pressures is predicted, at - 31 GPa. These results are shown to be consistent with the extrapolations of the experimental pressure-temperature phase diagram to 0 K.

  6. Magnetic and thermodynamic properties of face-centered cubic Fe-Ni alloys.

    Science.gov (United States)

    Lavrentiev, M Yu; Wróbel, J S; Nguyen-Manh, D; Dudarev, S L

    2014-08-14

    A model lattice ab initio parameterized Heisenberg-Landau magnetic cluster expansion Hamiltonian spanning a broad range of alloy compositions and a large variety of chemical and magnetic configurations has been developed for face-centered cubic Fe-Ni alloys. The thermodynamic and magnetic properties of the alloys are explored using configuration and magnetic Monte Carlo simulations over a temperature range extending well over 1000 K. The predicted face-centered cubic-body-centered cubic coexistence curve, the phase stability of ordered Fe3Ni, FeNi, and FeNi3 intermetallic compounds, and the predicted temperatures of magnetic transitions simulated as functions of alloy composition agree well with experimental observations. Simulations show that magnetic interactions stabilize the face-centered cubic phase of Fe-Ni alloys. Both the model Hamiltonian simulations and ab initio data exhibit a particularly large number of magnetic configurations in a relatively narrow range of alloy compositions corresponding to the occurrence of the Invar effect.

  7. Synthesis of ultrathin face-centered-cubic Au@Pt and Au@Pd core-shell nanoplates from hexagonal-close-packed Au square sheets

    KAUST Repository

    Fan, Zhanxi

    2015-03-17

    The synthesis of ultrathin face-centered-cubic (fcc) Au@Pt rhombic nanoplates is reported through the epitaxial growth of Pt on hexagonal-close-packed (hcp) Au square sheets (AuSSs). The Pt-layer growth results in a hcp-to-fcc phase transformation of the AuSSs under ambient conditions. Interestingly, the obtained fcc Au@Pt rhombic nanoplates demonstrate a unique (101)f orientation with the same atomic arrangement extending from the Au core to the Pt shell. Importantly, this method can be extended to the epitaxial growth of Pd on hcp AuSSs, resulting in the unprecedented formation of fcc Au@Pd rhombic nanoplates with (101)f orientation. Additionally, a small amount of fcc (100)f-oriented Au@Pt and Au@Pd square nanoplates are obtained with the Au@Pt and Au@Pd rhombic nanoplates, respectively. We believe that these findings will shed new light on the synthesis of novel noble bimetallic nanostructures. Phase change: Ultrathin Au@Pt and Au@Pd core-shell nanoplates were prepared from Au square sheets. A phase transformation from hexagonal close-packed (hcp) to face-centered cubic (fcc) is observed upon coating the hcp Au square sheets with Pt or Pd under ambient conditions. The prepared fcc Au@Pt and Au@Pd rhombic nanoplates demonstrate unique (101)f orientation (picture shows a typical fcc Au@Pt rhombic nanoplate). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. A Monte Carlo Simulation of a Monomer Dimer CO-O2 Catalytic Reaction on the Surface and Subsurface of a Face-centered Cubic Lattice

    Institute of Scientific and Technical Information of China (English)

    K.Iqbal; A.Basit

    2011-01-01

    @@ The presence of oxygen in the subsurface in monomer-dimer reactions(CO-O2 and NO-CO)is observed experimentally.The effect of subsurface oxygen on a CO-O2 catalytic reaction on a face-centered cubic(FCC)lattice is studied using Monte Carlo simulation.The effect of adding subsurface neighbours on the phase diagram is also extensively explored.It is observed that the subsurface oxygen totally eliminates the typical second order phase transition.It is also shown that the introduction of the diffusion of O atoms and the subsurface of the FCC lattice shifts the single transition point towards the stoichiometric ratio.%The presence of oxygen in the subsurface in monomer-dimer reactions (CO-O2 and NO-CO) is observed experimentally. The effect of subsurface oxygen on a CO-O2 catalytic reaction on a face-centered cubic (FCC) lattice is studied using Monte Carlo simulation. The effect of adding subsurface neighbours on the phase diagram is also extensively explored. It is observed that the subsurface oxygen totally eliminates the typical second order phase transition. It is also shown that the introduction of the diffusion of O atoms and the subsurface of the FCC lattice shifts the single transition point towards the stoichiometric ratio.

  9. Void nucleation in biaxially strained ultrathin films of face-centered cubic metals

    Science.gov (United States)

    Kolluri, Kedarnath; Gungor, M. Rauf; Maroudas, Dimitrios

    2007-05-01

    We report an analysis of void nucleation as a relaxation mechanism in freestanding biaxially strained ultrathin films of face-centered cubic metals based on large-scale molecular-dynamics simulations. Above a critical strain level, multiple threading dislocations are emitted from the film surface. The surface step traces formed by gliding dislocations on intersecting and on adjacent parallel glide planes lead to formation and growth of surface pits and grooves, while vacancies form due to gliding of jogged dislocations and dislocation intersections. Coalescence of the surface pits with vacancy clusters is the precursor to the formation of a larger void extending across the film.

  10. Three-Dimensional Structure of a Simple Liquid at a Face-Centered-Cubic (001) Solid Surface Interface.

    Science.gov (United States)

    Bao, Luyao; Hu, Haibao; Wen, Jun; Sepri, Paavo; Luo, Kai

    2016-07-19

    A liquid in the vicinity of a solid-liquid interface (SLI) may exhibit complex structures. In this study, we used molecular dynamics simulations demonstrating for the first time that the liquid adjacent to the SLI can have a two-level structure in some cases: a major structure and a minor structure. Through a time-averaging process of molecular motions, we identified the type of the liquid structure by calculating positions of the maximum liquid density in three spatial dimensions, and these positions were found to distribute in many dispersed zones (called high-density zones (HDZs)). The major structure appears throughout the SLI, while the minor structure only occurs significantly within the third layer. Instead of the previously reported body-centered cubic (BCC) or face-centered-cubic (FCC) types, the major structure was found to show a body-centered tetragonal (BCT) type. The adjacent HDZs are connected by specific junctions, demonstrating that atoms diffuse along some particular high probability paths from one HDZ to another. By considering the three-dimensional liquid density distribution from the continuum point of view, more complete details of the structure and diffusive behavior of liquids in the SLI are also possible to be revealed.

  11. Three-Dimensional Structure of a Simple Liquid at a Face-Centered-Cubic (001) Solid Surface Interface

    Science.gov (United States)

    Bao, Luyao; Hu, Haibao; Wen, Jun; Sepri, Paavo; Luo, Kai

    2016-07-01

    A liquid in the vicinity of a solid-liquid interface (SLI) may exhibit complex structures. In this study, we used molecular dynamics simulations demonstrating for the first time that the liquid adjacent to the SLI can have a two-level structure in some cases: a major structure and a minor structure. Through a time-averaging process of molecular motions, we identified the type of the liquid structure by calculating positions of the maximum liquid density in three spatial dimensions, and these positions were found to distribute in many dispersed zones (called high-density zones (HDZs)). The major structure appears throughout the SLI, while the minor structure only occurs significantly within the third layer. Instead of the previously reported body-centered cubic (BCC) or face-centered-cubic (FCC) types, the major structure was found to show a body-centered tetragonal (BCT) type. The adjacent HDZs are connected by specific junctions, demonstrating that atoms diffuse along some particular high probability paths from one HDZ to another. By considering the three-dimensional liquid density distribution from the continuum point of view, more complete details of the structure and diffusive behavior of liquids in the SLI are also possible to be revealed.

  12. Roles of texture and latent hardening on plastic anisotropy of face-centered-cubic materials during multi-axial loading

    Science.gov (United States)

    Pham, M. S.; Creuziger, A.; Iadicola, M.; Rollett, A. D.

    2017-02-01

    This study investigates the joint impact of preferred texture and latent hardening on the plastic anisotropy of face centered cubic (FCC) materials. The main result is that both aspects have significant impact on the anisotropy, but the two can either counteract each other or synergistically reinforce each other to maximize anisotropy. Preferred texture results in significant anisotropy in plastic yielding. However, the latent hardening significantly alters the texture-induced anisotropy. In addition, one latent hardening type can cancel out the anisotropy of another type. Consequently, if all dislocation-based latent hardening types are included at the same level as the self-hardening, the result might not reveal the complexity of plastic anisotropy. The present study of the synergistic influence of detailed latent hardening and texture presented helps provide new insights into the complex anisotropic behavior of FCC materials during multi-axial forming. the stress at which the material initially yields is not a function of material orientation with respect to the frame of the test (i.e., isotropic yielding); there exists a multi-axial yield locus that is described by a single value of stress that corresponds to yield in uniaxial tension (i.e., stress equivalency); on hardening, the multi-axial yield locus expands by the same amount in every direction in the π-plane, which is the plane that has its normal parallel to [111] in the deviatoric stress space (i.e., isotropic hardening); there is an associated flow rule, i.e., the strain increment is normal to the yield locus.

  13. Numerical Modeling of the Stability of Face-Centered Cubic Metals with High Vacancy Concentration

    Energy Technology Data Exchange (ETDEWEB)

    Brian P. Somerday; M. I. Baskes

    1998-12-01

    The objective of this research is to assess the possibility of forming an atomically porous structure in a low-density metal, e.g., Al with vacancies up to 0.20/lattice site; and to examine the effects of hydrogen and vacancy concentration on the stability of an atomically porous structure that has been experimentally produced in nickel. The approach involves numerical modeling using the Embedded-Atom Method (EAM). High vacancy concentrations cause the Al lattice to disorder at 300K. In contrast, Ni retains the face-centered-cubic structure at 300K for vacancy concentrations up to 0.15 Vac/lattice site. Unexpectedly, the lattice with 0.15 Vac/lattice site is more stable than the lattice with 0.10 or 0.20 Vac/lattice site. The Ni systems with 0.10 and 0.15 Vac/lattice site exhibit domains consisting of uniform lattice rotations. The Ni lattice with 0.15 Vac/lattice site is more stable with an initial distribution of random vacancies compared to ordered vacancies. The equilibrium lattice structures of Ni a d Al containing vacancies and H are less ordered to structures with vacancies only at 300K.

  14. Reversible hydrogen storage property and structural analysis for face-centered cubic hydride Mg0.82Zr0.18H2 prepared by gigapascal hydrogen pressure method.

    Science.gov (United States)

    Takasaki, Tomoaki; Kyoi, Daisuke; Kitamura, Naoyuki; Tanase, Shigeo; Sakai, Tetsuo

    2007-12-27

    The face-centered cubic (fcc) type magnesium-zirconium hydride (Mg0.82Zr0.18Hx) was synthesized by means of the ultrahigh pressure (UHP) technique, which could generate 8 GPa of hydrogen pressure. The differential scanning calorimeter (DSC) measurements indicated that the fcc phase exhibited reversible hydrogen releasing and restoring properties under 0.5 MPa of hydrogen pressure. On the pressure-composition isotherms, the released and restored hydrogen capacities were estimated to be 3 approximately 3.5 wt %. The Rietveld analysis for synchrotron X-ray diffraction (XRD) data showed that the fcc phase had around 70 wt % mass fraction and was preserved without decomposition during hydrogen releasing and restoring cycles.

  15. Comment on `Magic strains in face-centered and body-centered cubic lattices'

    NARCIS (Netherlands)

    Waal, van de Benjamin W.

    1990-01-01

    The six symmetry-related so-called magic strain tensors that transform a f.c.c. lattice (or a b.c.c. lattice) into itself, which have been reported recently by Boyer [Acta Cryst. (1989), A45, FC29-FC32] are not unique: an infinite number of displacement tensors can be constructed that transform one

  16. Thermal plasma processed ferro-magnetically ordered face-centered cubic iron at room temperature

    Science.gov (United States)

    Raut, Suyog A.; Kanhe, Nilesh S.; Bhoraskar, S. V.; Das, A. K.; Mathe, V. L.

    2014-10-01

    Here, we report tailor made phase of iron nanoparticles using homogeneous gas phase condensation process via thermal plasma route. It was observed that crystal lattice of nano-crystalline iron changes as a function of operating parameters of the plasma reactor. In the present investigation iron nanoparticles have been synthesized in presence of argon at operating pressures of 125-1000 Torr and fixed plasma input DC power of 6 kW. It was possible to obtain pure fcc, pure bcc as well as the mixed phases for iron nanoparticles in powder form as a function of operating pressure. The as synthesized product was characterized for understanding the structural and magnetic properties by using X-ray diffraction, vibrating sample magnetometer, and Mössbauer spectroscopy. The data reveal that fcc phase is ferromagnetically ordered with high spin state, which is unusual whereas bcc phase is found to be ferromagnetic as usual. Finally, the structural and magnetic properties are co-related.

  17. Thermal plasma processed ferro-magnetically ordered face-centered cubic iron at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Raut, Suyog A.; Kanhe, Nilesh S.; Bhoraskar, S. V.; Mathe, V. L., E-mail: vlmathe@physics.unipune.ac.in [Department of Physics, Savitribai Phule Pune University, Pune 411007 (India); Das, A. K. [Laser and Plasma Technology Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2014-10-28

    Here, we report tailor made phase of iron nanoparticles using homogeneous gas phase condensation process via thermal plasma route. It was observed that crystal lattice of nano-crystalline iron changes as a function of operating parameters of the plasma reactor. In the present investigation iron nanoparticles have been synthesized in presence of argon at operating pressures of 125–1000 Torr and fixed plasma input DC power of 6 kW. It was possible to obtain pure fcc, pure bcc as well as the mixed phases for iron nanoparticles in powder form as a function of operating pressure. The as synthesized product was characterized for understanding the structural and magnetic properties by using X-ray diffraction, vibrating sample magnetometer, and Mössbauer spectroscopy. The data reveal that fcc phase is ferromagnetically ordered with high spin state, which is unusual whereas bcc phase is found to be ferromagnetic as usual. Finally, the structural and magnetic properties are co-related.

  18. The thermal expansion of a face-centered cubic lattice with central two-body interactions

    NARCIS (Netherlands)

    Bicknese, V.

    1965-01-01

    The thermal expansion e is calculated by minimizing the free energy, including the cubic and quartic phonon-interaction terms. The free energy is expanded to third order in e. The work is closely related to that of Maradudin and Maradudin, Flinn and Coldwell-Horsfall. The resulting formulas are appl

  19. Thermodynamic properties of solid face centered cubic Rb3C60 at high temperature and pressure

    Science.gov (United States)

    Yang, W.; Sun, J. X.; Liu, H.; Yan, G. F.

    2014-03-01

    Analytic equation of state and thermodynamic quantities of solid fcc Rb3C60 are derived by using an analytic mean field potential method. For intermolecular forces, the double-exponential potential is utilized. Four potential parameters are determined by fitting experimental compression data of Rb3C60 up to 14 GPa at 296 K. Various physical quantities including isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. Calculated results are consistent with available experimental data in literature. Furthermore, spinodal temperature for Rb3C60 is found to be 2,860 K. Results verify that analytic mean field potential method is a useful approach to consider the anharmonic effect at high temperatures. Numerous reasonable predictions and the change trend of the properties for Rb3C60 at high temperature and pressure have been given.

  20. Crystal structure and optical properties of the [Ag62S12(SBu(t))32](2+) nanocluster with a complete face-centered cubic kernel.

    Science.gov (United States)

    Jin, Shan; Wang, Shuxin; Song, Yongbo; Zhou, Meng; Zhong, Juan; Zhang, Jun; Xia, Andong; Pei, Yong; Chen, Man; Li, Peng; Zhu, Manzhou

    2014-11-05

    The crystal structure of the [Ag62S12(SBu(t))32](2+) nanocluster (denoted as NC-I) has been successfully determined, and it shows a complete face-centered-cubic (FCC) Ag14 core structure with a Ag48(SBu(t))32 shell configuration interconnected by 12 sulfide ions, which is similar to the [Ag62S13(SBu(t))32](4+) structure (denoted as NC-II for short) reported by Wang. Interestingly, NC-I exhibits prominent differences in the optical properties in comparison with the case of the NC-II nanocluster. We employed femtosecond transient absorption spectroscopy to further identify the differences between the two nanoclusters. The results show that the quenching of photoluminescence in NC-I in comparison to that of NC-II is caused by the free valence electrons, which dramatically change the ligand to metal charge transfer (LMCT, S 3p → Ag 5s). To get further insight into these, we carried out time-dependent density functional theory (TDDFT) calculations on the electronic structure and optical absorption spectra of NC-I and NC-II. These findings offer a new insight into the structure and property evolution of silver cluster materials.

  1. Surface-induced ordering and disordering in face-centered-cubic alloys: A Monte Carlo study

    Science.gov (United States)

    Schweika, W.; Landau, D. P.; Binder, K.

    1996-04-01

    Using extensive Monte Carlo simulations we have studied phase transitions in a fcc model with antiferromagnetic nearest-neighbor couplings J in the presence of different free surfaces which lead either to surface-induced order or to surface-induced disorder. Our model is a prototype for CuAu-type ordering alloys and shows a strong first-order bulk transition at a temperature kTcb/||J||=1.738 005(50). For free (100) surfaces, we find a continuous surface transition at a temperature Tcs>~Tcb exhibiting critical exponents of the two-dimensional Ising model. Surface-induced ordering occurs as the temperature approaches Tcb and the surface excess order and surface excess energy diverges logarithmically. For a free (111) surface, the surface order vanishes continuously at Tcb accompanied by surface-induced disorder (SID). In addition to a logarithmic divergence of the excess quantities of order and energy, we find further critical exponents which confirm the actual theory of SID and critical wetting and which can be understood in terms of rough interfaces. For both cases of free surfaces, the asymptotic behavior of the squared interfacial width shows the expected logarithmic divergence.

  2. First-principles LDA + U calculations investigating the lattice contraction of face-centered cubic Pu hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Ao, B.Y., E-mail: aobingyun24@yahoo.com.cn [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China); Wang, X.L.; Shi, P.; Chen, P.H.; Ye, X.Q.; Lai, X.C. [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China); Gao, T., E-mail: gaotao@scu.edu.cn [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China)

    2012-05-15

    Plutonium metal can be loaded with hydrogen, which forms complicated solid solutions and compounds, and leads to significant changes in electronic structure. A first-principles pseudopotential plane wave method with added Hubbard parameter U was employed to investigate the electronic and structural properties of face-centered cubic Pu hydrides (PuH{sub x}, x = 2, 2.25, and 3). The decrease in calculated lattice parameters with increasing x is in reasonable agreement with experimental findings. Comparative analysis of the electronic-structure results for a series of PuH{sub x} compositions reveals that lattice contraction occurs due to enhanced chemical bonding and the size effects involving interstitial atoms. We find that the size effects are the driving force for the abnormal lattice contraction.

  3. Effects of stacking fault energy on defect formation process in face-centered cubic metals

    Science.gov (United States)

    Okita, Taira; Yang, Yingjuan; Hirabayashi, Junichi; Itakura, Mitsuhiro; Suzuki, Katsuyuki

    2016-05-01

    To elucidate the effect of stacking fault energies (SFEs) on defect formation by the collision cascade process for face-centred cubic metals, we used six sets of interatomic potentials with different SFEs while keeping the other properties almost identical. Molecular dynamic simulations of the collision cascade were carried out using these potentials with primary knock-on atom energies (EPKA) of 10 and 20 keV at 100 K. Neither the number of residual defects nor the size distributions for both self-interstitial atom (SIA) type and vacancy type clusters were affected by the difference in the SFE. In the case of EPKA = 20 keV, the ratio of glissile SIA clusters increased as the SFE decreased, which was not expected by a prediction based on the classical dislocation theory. The trend did not change after annealing at 1100 K for 100 ps. For vacancy clusters, few stacking fault tetrahedrons (SFTs) formed before the annealing. However, lower SFEs tended to increase the SFT fraction after the annealing, where large vacancy clusters formed at considerable densities. The findings of this study can be used to characterise the defect formation process in low SFE metals such as austenitic stainless steels.

  4. First-principles path-integral molecular dynamics study of diffusion process of hydrogen in face-centered cubic metals

    Science.gov (United States)

    Kimizuka, Hajime; Ogata, Shigenobu

    We investigated the H diffusivity in face-centered cubic Pd and Al by performing path-integral molecular dynamics (PIMD) modeling in the framework of density functional theory (DFT); in our calculations, we took nuclear quantum effects into consideration. The DFT results showed that the H-migration barriers (Em) in Pd and Al exhibited similar values (approximately 0.16 eV), while the H atoms were stable at octahedral (O) sites for Pd and at tetrahedral (T) sites for Al. The PIMD-based free-energy profiles for H migration between the O-site and T-site were evaluated using the thermodynamic integration of the centroid forces at 150-600 K. We confirmed that the quantum effects significantly affected the Em and the difference between the energies of the H atom at the O-site and the T-site (EO - T); The Em and EO - T values in Pd at 300 K increased by 32% and 98%, respectively, relative to the classical limit. On the other hand, the Em and ET - O (i.e., -EO - T) values in Al at 300 K decreased by 3% and 41%, respectively. This suggested that the quantum nature of H nuclei was essential for understanding the H-diffusion kinetics in these metals even above ambient temperature.

  5. Influence of face-centered-cubic texturing of Co2Fe6B2 pinned layer on tunneling magnetoresistance ratio decrease in Co2Fe6B2/MgO-based p-MTJ spin valves stacked with a [Co/Pd](n)-SyAF layer.

    Science.gov (United States)

    Takemura, Yasutaka; Lee, Du-Yeong; Lee, Seung-Eun; Chae, Kyo-Suk; Shim, Tae-Hun; Lian, Guoda; Kim, Moon; Park, Jea-Gun

    2015-05-15

    The TMR ratio of Co2Fe6B2/MgO-based p-MTJ spin valves stacked with a [Co/Pd]n-SyAF layer decreased rapidly when the ex situ magnetic annealing temperature (Tex) was increased from 275 to 325 °C, and this decrease was associated with degradation of the Co2Fe6B2 pinned layer rather than the Co2Fe6B2 free layer. At a Tex above 325 °C the amorphous Co2Fe6B2 pinned layer was transformed into a face-centered-cubic (fcc) crystalline layer textured from [Co/Pd]n-SyAF, abruptly reducing the Δ1 coherence tunneling of perpendicular-spin-torque electrons between the (100) MgO tunneling barrier and the fcc Co2Fe6B2 pinned layer.

  6. Exploitation of 3D face-centered cubic mesoporous silica as a carrier for a poorly water soluble drug: Influence of pore size on release rate

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Wenquan; Wan, Long; Zhang, Chen; Gao, Yikun; Zheng, Xin; Jiang, Tongying; Wang, Siling, E-mail: silingwang@syphu.edu.cn

    2014-01-01

    The purposes of the present work were to explore the potential application of 3D face-centered cubic mesoporous silica (FMS) with pore size of 16.0 nm as a delivery system for poorly soluble drugs and investigate the effect of pore size on the dissolution rate. FMS with different pore sizes (16.0, 6.9 and 3.7 nm) was successfully synthesized by using Pluronic block co-polymer F127 as a template and adjusting the reaction temperatures. Celecoxib (CEL), which is a BCS class II drug, was used as a model drug and loaded into FMS with different pore sizes by the solvent deposition method at a drug–silica ratio of 1:4. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformation infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), nitrogen adsorption, X-ray diffraction (XRD), and differential scanning calorimetry (DSC) was used to systematically investigate the drug loading process. The results obtained showed that CEL was in a non-crystalline state after incorporation of CEL into the pores of FMS-15 with pore size of 16.0 nm. In vitro dissolution was carried out to demonstrate the effects of FMS with different pore sizes on the release of CEL. The results obtained indicated that the dissolution rate of CEL from FMS-15 was significantly enhanced compared with pure CEL. This could be explained by supposing that CEL encountered less diffusion resistance and its crystallinity decreased due to the large pore size of 16.0 nm and the nanopore channels of FMS-15. Moreover, drug loading and pore size both play an important role in enhancing the dissolution properties for the poorly water-soluble drugs. As the pore size between 3.7 and 16.0 nm increased, the dissolution rate of CEL from FMS gradually increased. - Highlights: • Exploitation of 3D cubic mesoporous silica (16 nm) as a carrier was completed. • The release rate of CEL increased on increasing the pore size of carriers. • The crystallinity

  7. Use of the Primitive Unit Cell in Understanding Subtle Features of the Cubic Closest-Packed Structure

    Science.gov (United States)

    Hawkins, John A.; Rittenhouse, Jeffrey L.; Soper, Linda M.; Rittenhouse, Robert C.

    2008-01-01

    One of the most important crystal structures adopted by metals is characterized by the "abcabc"...stacking of close-packed layers. This structure is commonly referred to in textbooks as the cubic close-packed (ccp) or face-centered cubic (fcc) structure, since the entire lattice can be generated by replication of a face-centered cubic unit cell…

  8. Cu6S4 cluster based twelve-connected face-centered cubic and Cu19I4S12 cluster based fourteen-connected body-centered cubic topological coordination polymers.

    Science.gov (United States)

    Hao, Zheng-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Zhang, Xian-Ming

    2008-09-15

    Hydrothermal reaction of Cu(MeCO2)2, (4-pyridylthio)acetic acid and NH4SCN resulted in a twelve-connected face-centered cubic topological metal-organic framework [Cu3(pdt)2(CN)] (pdt = pyridinethiolate) in which Cu6S4 clusters act as twelve-connected nodes and pyridine rings and cyanides act as connectors. As an extension, an unprecedented fourteen-connected body-centered cubic coordination polymer [Cu19I4(pdt)12(SH)3] has been synthesized by three methods, in which nanosized chiral Cu19I4S12 clusters act as fourteen-connected nodes and triple pyridine rings and hydrosulfides act as connectors. The in situ S-C(sp(3)), S-C(sp(2)), and S-C(sp) cleavage reactions have been observed in the work.

  9. Structural, magnetic, and magneto-optical properties of nanocrystalline face centered cubic Co70Cr30/Pt multilayers with perpendicular magnetic anisotropy.

    Science.gov (United States)

    Papaioannou, E Th; Angelakeris, M; Poulopoulos, P; Tsiaoussis, I; Rüdt, C; Fumagalli, P; Flevaris, N K

    2007-12-01

    Co70Cr30 alloyed layers are combined with extremely thin Pt layers in order to produce novel face-centered-cubic multilayered films to be considered as a potential perpendicular magnetic recording medium. The films were grown on Si, glass and polyimide substrates by e-beam evaporation at a temperature slightly higher than room temperature. The multilayered structure of the films was verified by X-ray diffraction experiments. Plane-view transmission electron microscopy images have revealed the formation of very small grains in the range of 7-9 nm. Hysteresis loops as a function of temperature were recorded via the magneto-optic Kerr effect in the polar geometry configuration. The system exhibits perpendicular magnetic anisotropy, which enhances with decreasing temperature. Hysteresis loops with a squareness of 1 and a coercivity of 1.45 kOe were obtained at 10 K. Furthermore, complete magneto-optic spectra of the films are recorded, showing a strong magneto-optic enhancement in the ultraviolet region at around 4.5 eV.

  10. Exploitation of 3D face-centered cubic mesoporous silica as a carrier for a poorly water soluble drug: influence of pore size on release rate.

    Science.gov (United States)

    Zhu, Wenquan; Wan, Long; Zhang, Chen; Gao, Yikun; Zheng, Xin; Jiang, Tongying; Wang, Siling

    2014-01-01

    The purposes of the present work were to explore the potential application of 3D face-centered cubic mesoporous silica (FMS) with pore size of 16.0nm as a delivery system for poorly soluble drugs and investigate the effect of pore size on the dissolution rate. FMS with different pore sizes (16.0, 6.9 and 3.7nm) was successfully synthesized by using Pluronic block co-polymer F127 as a template and adjusting the reaction temperatures. Celecoxib (CEL), which is a BCS class II drug, was used as a model drug and loaded into FMS with different pore sizes by the solvent deposition method at a drug-silica ratio of 1:4. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformation infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), nitrogen adsorption, X-ray diffraction (XRD), and differential scanning calorimetry (DSC) was used to systematically investigate the drug loading process. The results obtained showed that CEL was in a non-crystalline state after incorporation of CEL into the pores of FMS-15 with pore size of 16.0nm. In vitro dissolution was carried out to demonstrate the effects of FMS with different pore sizes on the release of CEL. The results obtained indicated that the dissolution rate of CEL from FMS-15 was significantly enhanced compared with pure CEL. This could be explained by supposing that CEL encountered less diffusion resistance and its crystallinity decreased due to the large pore size of 16.0nm and the nanopore channels of FMS-15. Moreover, drug loading and pore size both play an important role in enhancing the dissolution properties for the poorly water-soluble drugs. As the pore size between 3.7 and 16.0nm increased, the dissolution rate of CEL from FMS gradually increased.

  11. Macroscopic and bulk-controlled elastic modes in an interaction of interstitial alcali metal cations within a face-centered cubic crystalline fullerine

    Energy Technology Data Exchange (ETDEWEB)

    Tatarenko, V.A.; Tsysman, C.L.; Oltarzhevskaya, Y.T.

    1995-04-01

    The calculations in a majority of previous works for the fulleride (AqC-60) crystals were performed within the framework of the rigid-lattice model, neglecting the distortion relaxation of the host fullerene (C-60) crystal caused by the interstitial alkali-metal (A) cations. However, an each cation is a source of a static distortion field, and the resulting field is a superposition of such fields generated by all cations. This is a reason why the host-crystal distortions depend on the A-cations configurations, i.e. on a type of a spatial bulk distribution of interstitial cations. The given paper seeks to find a functional relation between the amplitudes of the doping-induced structure-distortion waves and of static concentration ones. A semiphenomenological model is constructed here within the scope of statistical-thermodynamic treatment and using the lattice-statistics simulation method. In this model the effects due to the presence of q solute A cations over available interstices (per unit cell) on the static inherent reorientation and/or displacements of the solvent molecules from the `average-lattice` sites` as well as on the lattice parameter a of an elastically-anysotropic `cubic` C-60 crystal are taken into account.

  12. Macroscopic and bulk-controlled elastic modes in an interaction of interstitial alcali metal cations within a face-centered cubic crystalline fullerine

    Science.gov (United States)

    Tatarenko, Valentine A.; Tsysman, Constantin L.; Oltarzhevskaya, Yelena T.

    1995-01-01

    The calculations in a majority of previous works for the fulleride (AqC-60) crystals were performed within the framework of the rigid-lattice model, neglecting the distortion relaxation of the host fullerene (C-60) crystal caused by the interstitial alkali-metal (A) cations. However, an each cation is a source of a static distortion field, and the resulting field is a superposition of such fields generated by all cations. This is a reason why the host-crystal distortions depend on the A-cations configurations, i.e. on a type of a spatial bulk distribution of interstitial cations. The given paper seeks to find a functional relation between the amplitudes of the doping-induced structure-distortion waves and of static concentration ones. A semiphenomenological model is constructed here within the scope of statistical-thermodynamic treatment and using the lattice-statistics simulation method(*). In this model the effects due to the presence of q solute A cations over available interstices (per unit cell) on the static inherent reorientation and/or displacements of the solvent molecules from the 'average-lattice' sites' as well as on the lattice parameter a of a elastically-anysotropic 'cubic' C-60 crystal are taken into account.

  13. Macroscopic and bulk-controlled elastic modes in an interaction of interstitial alcali metal cations within a face-centered cubic crystalline fullerine

    Energy Technology Data Exchange (ETDEWEB)

    Tatarenko, V.A.; Tsysman, C.L.; Oltarzhevskaya, Y.T. [Institute for Metal Physics, Kiev (Ukraine)

    1994-12-31

    The calculations in a majority of previous works for the fulleride (AqC{sub 60}) crystals were performed within the framework of the rigid-lattice model, neglecting the distoration relaxation of the host fullerene (C{sub 60}) crystal caused by the interstitial alkali-metal (A) cations. However, an each cation is a source of a static distoration field, and the resulting field is a superposition of such fields generated by all cations. This is a reason why the host-crystal distortions depend on the A-cations configurations, i.e. on a type of a spatial bulk distribution of interstitial cations. This paper seeks to find a functional relation between the amplitudes of the doping-induced structure-distortion waves and of statistic concentration ones. A semiphenomenological model is constructed here within the scope of statistical-thermodynamic treatment and using the lattice-statistics simulation method. In this model the effects due to the presence of q solute A cations over available interstices (per unit cell) on the statistic inherent reorientation and/or displacements of the solvent molecules from the average-lattice sites as well as on the lattice parameter a of the elastically-anysotropic cubic C{sub 60} crystal are taken into account.

  14. Icosahedral quasicrystals of intermetallic compounds are icosahedral twins of cubic crystals of three kinds, consisting of large (about 5000 atoms) icosahedral complexes in either a cubic body-centered or a cubic face-centered arrangement or smaller (about 1350 atoms) icosahedral complexes in the beta-tungsten arrangement.

    Science.gov (United States)

    Pauling, L

    1989-11-01

    The twofold-axis electron-diffraction photographs of icosahedral quasicrystals are of three kinds, reflecting three different structures of the cubic crystals that by icosahedral twinning form the quasicrystals. The first kind, represented by Al(13)Cu(4)Fe(3), contains two very large icosahedral complexes, each of about 4680 atoms, in the body-centered arrangement, with six smaller icosahedral complexes (104 atoms each) in the principal interstices. The second kind, represented by Al(5)Mn, contains four of the very large complexes in the face-centered arrangement (cubic close packing), with four of the smaller clusters in the interstices. The third kind, represented by Al(6)CuLi(3), contains eight icosahedral complexes, each of about 1350 atoms, in the beta-W arrangement. The supporting evidence for these cubic structures is discussed as well as other evidence showing that the simple quasicrystal theory, which states that quasicrystals do not involve any translational identity operations, has to be modified.

  15. Stability of the fcc structure in block copolymer systems.

    Science.gov (United States)

    Nonomura, Makiko

    2008-11-19

    The stability of the face-centered cubic (fcc) structure in microphase separated copolymers is investigated by a coarse-grained approach. Direct simulations of the equation for the microphase separation in three dimensions indicate that there is a narrow area above a certain degree of segregation in the phase diagram, where the fcc structure is the most stable structure. By employing the mode expansion, we have confirmed that the fcc structure can form as a metastable structure even in the weak segregation regime.

  16. Virus-mediated FCC iron nanoparticle induced synthesis of uranium dioxide nanocrystals.

    Science.gov (United States)

    Ling, Tao; Yu, Huimin; Shen, Zhongyao; Wang, Hui; Zhu, Jing

    2008-03-19

    A reducing system involving M13 virus-mediated FCC Fe nanoparticles was employed to achieve uranium reduction and synthesize uranium dioxide nanocrystals. Here we show that metastable face-centered cubic (FCC) Fe nanoparticles were fabricated around the surface of the M13 virus during the specific adsorption of the virus towards Fe ions under a reduced environment. The FCC phase of these Fe nanoparticles was confirmed by careful TEM characterization. Moreover, this virus-mediated FCC Fe nanoparticle system successfully reduced contaminable U(VI) into UO(2) crystals with diameters of 2-5 nm by a green and convenient route.

  17. Growth and micromagnetism of self-assembled epitaxial fcc(111) cobalt dots.

    Science.gov (United States)

    Fruchart, O; Masseboeuf, A; Toussaint, J C; Bayle-Guillemaud, P

    2013-12-11

    We develop the self-assembly of epitaxial submicrometer-sized face-centered-cubic (fcc) Co(111) dots using pulsed laser deposition. The dots display atomically flat facets, from which the ratios of surface and interface energies for fcc Co are deduced. Zero-field magnetic structures are investigated with magnetic force and Lorentz microscopies, revealing vortex-based flux-closure patterns. A good agreement is found with micromagnetic simulations.

  18. Synthesis of 4H/fcc-Au@Metal Sulfide Core-Shell Nanoribbons.

    Science.gov (United States)

    Fan, Zhanxi; Zhang, Xiao; Yang, Jian; Wu, Xue-Jun; Liu, Zhengdong; Huang, Wei; Zhang, Hua

    2015-09-02

    Although great advances on the synthesis of Au-semiconductor heteronanostructures have been achieved, the crystal structure of Au components is limited to the common face-centered cubic (fcc) phase. Herein, we report the synthesis of 4H/fcc-Au@Ag2S core-shell nanoribbon (NRB) heterostructures from the 4H/fcc Au@Ag NRBs via the sulfurization of Ag. Remarkably, the obtained 4H/fcc-Au@Ag2S NRBs can be further converted to a novel class of 4H/fcc-Au@metal sulfide core-shell NRB heterostructures, referred to as 4H/fcc-Au@MS (M = Cd, Pb or Zn), through the cation exchange. We believe that these novel 4H/fcc-Au@metal sulfide NRB heteronanostructures may show some promising applications in catalysis, surface enhanced Raman scattering, solar cells, photothermal therapy, etc.

  19. Synthesis of 4H/fcc-Au@M (M = Ir, Os, IrOs) Core-Shell Nanoribbons For Electrocatalytic Oxygen Evolution Reaction.

    Science.gov (United States)

    Fan, Zhanxi; Luo, Zhimin; Chen, Ye; Wang, Jie; Li, Bing; Zong, Yun; Zhang, Hua

    2016-08-01

    The high-yield synthesis of 4H/face-centered cubic (fcc)-Au@Ir core-shell nanoribbons (NRBs) is achieved via the direct growth of Ir on 4H Au NRBs under ambient conditions. Importantly, this method can be used to synthesize 4H/fcc-Au@Os and 4H/fcc-Au@IrOs core-shell NRBs. Significantly, the obtained 4H/fcc-Au@Ir core-shell NRBs demonstrate an exceptional electrocatalytic activity toward the oxygen evolution reaction under acidic condition, which is much higher than that of the commercial Ir/C catalyst.

  20. Solution based synthesis of simple fcc Si nano-crystals under ambient conditions.

    Science.gov (United States)

    Balcı, Mustafa H; Sæterli, Ragnhild; Maria, Jerome; Lindgren, Mikael; Holmestad, Randi; Grande, Tor; Einarsrud, Mari-Ann

    2013-02-28

    We demonstrate for the first time that simple face-centered cubic (fcc) silicon nano-crystals can be produced by a solution based bottom-up synthesis route under ambient conditions. Simple fcc Si nano-crystals (2-7 nm) were prepared at room temperature by using sodium cyclopentadienide as a reducing agent for silicon tetrachloride. Photoluminescence emission at 550 nm was observed for the fcc silicon nano-crystals upon excitation at 340 nm, indicating that fcc Si nano-crystals were exhibiting direct bandgap like semiconductor properties with very fast radiative recombination rates. The new synthesis route makes possible the production and study of simple fcc polymorphs of Si nano-crystals with an easy alteration of surface termination groups.

  1. Observation of the fcc-to-hcp transition in ensembles of argon nanoclusters.

    Science.gov (United States)

    Krainyukova, N V; Boltnev, R E; Bernard, E P; Khmelenko, V V; Lee, D M; Kiryukhin, V

    2012-12-14

    Macroscopic ensembles of weakly interacting argon nanoclusters are studied using x-ray diffraction in low vacuum. As the clusters grow by fusion with increasing temperature, their structure transforms from essentially face-centered cubic (fcc) to hexagonal close packed as the cluster size approaches ~10(5) atoms. The transformation involves intermediate orthorhombic phases. These data confirm extant theoretical predictions. They also indicate that growth kinetics and spatial constraints might play an important role in the formation of the fcc structure of bulk rare-gas solids, which still remains puzzling.

  2. LatticeLibrary and BccFccRaycaster: Software for processing and viewing 3D data on optimal sampling lattices

    Directory of Open Access Journals (Sweden)

    Elisabeth Schold Linnér

    2016-01-01

    Full Text Available In this paper, we present LatticeLibrary, a C++ library for general processing of 2D and 3D images sampled on arbitrary lattices. The current implementation supports the Cartesian Cubic (CC, Body-Centered Cubic (BCC and Face-Centered Cubic (FCC lattices, and is designed to facilitate addition of other sampling lattices. We also introduce BccFccRaycaster, a plugin for the existing volume renderer Voreen, making it possible to view CC, BCC and FCC data, using different interpolation methods, with the same application. The plugin supports nearest neighbor and trilinear interpolation at interactive frame rates. These tools will enable further studies of the possible advantages of non-Cartesian lattices in a wide range of research areas.

  3. LatticeLibrary and BccFccRaycaster: Software for processing and viewing 3D data on optimal sampling lattices

    Science.gov (United States)

    Linnér, Elisabeth Schold; Morén, Max; Smed, Karl-Oskar; Nysjö, Johan; Strand, Robin

    In this paper, we present LatticeLibrary, a C++ library for general processing of 2D and 3D images sampled on arbitrary lattices. The current implementation supports the Cartesian Cubic (CC), Body-Centered Cubic (BCC) and Face-Centered Cubic (FCC) lattices, and is designed to facilitate addition of other sampling lattices. We also introduce BccFccRaycaster, a plugin for the existing volume renderer Voreen, making it possible to view CC, BCC and FCC data, using different interpolation methods, with the same application. The plugin supports nearest neighbor and trilinear interpolation at interactive frame rates. These tools will enable further studies of the possible advantages of non-Cartesian lattices in a wide range of research areas.

  4. Microstructural evolution and formation mechanism of FCC titanium during heat treatment processing

    Energy Technology Data Exchange (ETDEWEB)

    Jing, R.; Liu, C.Y.; Ma, M.Z. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Liu, R.P., E-mail: riping@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2013-03-05

    Highlights: ► The alloy with ST underwent the transformations: β → α + β + α″ + fcc phase. ► The lattice parameter “a” of the fcc phase was about 0.4385 nm. ► After aging at 450 °C, the highest strength was attained about 1740 MPa. ► The transus temperature of fcc-Ti was between 650 °C and 700 °C. -- Abstract: The phase transformation of Ti–20Zr–6.5Al–4V alloy was studied during different heat treatment processes. Due to the addition of zirconium possessing the high-stacking-fault energy, a small amount of Ti underwent allotropic transformation from hcp-Ti to face-centered cubic (fcc) Ti during heat treatment. The alloy, which was subjected to solid solution treatment at 950 °C for 60 min and subsequent water quenched, underwent the following phase transformations: β → α + β (residual) + α″ + fcc phase. The fcc phase was also found in the subsequent aging process, and when aging temperature reached 700 °C, the fcc-Ti completely decomposed into hexagonal close-packed α phase. The transus temperature of fcc-Ti was between 650 °C and 700 °C. It was found that the mechanical properties of the alloy are remarkably dependent on fcc phase content.

  5. Relative stability of the FCC and HCP polymorphs with interacting polymers.

    Science.gov (United States)

    Mahynski, Nathan A; Kumar, Sanat K; Panagiotopoulos, Athanassios Z

    2015-01-14

    Recent work [Mahynski et al., Nat. Commun., 2014, 5, 4472] has demonstrated that the addition of long linear homopolymers thermodynamically biases crystallizing hard-sphere colloids to produce the hexagonal close-packed (HCP) polymorph over the closely related face-centered cubic (FCC) structure when the polymers and colloids are purely repulsive. In this report, we investigate the effects of thermal interactions on each crystal polymorph to explore the possibility of stabilizing the FCC crystal structure over the HCP. We find that the HCP polymorph remains at least as stable as its FCC counterpart across the entire range of interactions we explored, where interactions were quantified by the reduced second virial coefficient, -1.50 0, its tetrahedral voids produce a similar effect when B FCC crystals are elusive in these binary mixtures.

  6. Graphene oxide-templated synthesis of ultrathin or tadpole-shaped au nanowires with alternating hcp and fcc domains.

    Science.gov (United States)

    Huang, Xiao; Li, Shaozhou; Wu, Shixin; Huang, Yizhong; Boey, Freddy; Gan, Chee Lip; Zhang, Hua

    2012-02-14

    Ultrathin Au nanowires (AuNWs) and tadpole-shaped nanowires are synthesized on graphene oxide (GO) sheet templates. For the first time, 1.6 nm-diameter AuNWs are shown to contain hexagonal close-packed (hcp) crystal domains, and the tadpole-shaped nanowires exhibit alternating sets of hcp and face-centered cubic (fcc) structures, associated with variation in wire thickness.

  7. Body-centered-cubic Ni and its magnetic properties.

    Science.gov (United States)

    Tian, C S; Qian, D; Wu, D; He, R H; Wu, Y Z; Tang, W X; Yin, L F; Shi, Y S; Dong, G S; Jin, X F; Jiang, X M; Liu, F Q; Qian, H J; Sun, K; Wang, L M; Rossi, G; Qiu, Z Q; Shi, J

    2005-04-08

    The body-centered-cubic (bcc) phase of Ni, which does not exist in nature, has been achieved as a thin film on GaAs(001) at 170 K via molecular beam epitaxy. The bcc Ni is ferromagnetic with a Curie temperature of 456 K and possesses a magnetic moment of 0.52+/-0.08 micro(B)/atom. The cubic magnetocrystalline anisotropy of bcc Ni is determined to be +4.0x10(5) ergs x cm(-3), as opposed to -5.7x10(4) ergs x cm(-3) for the naturally occurring face-centered-cubic (fcc) Ni. This sharp contrast in the magnetic anisotropy is attributed to the different electronic band structures between bcc Ni and fcc Ni, which are determined using angle-resolved photoemission with synchrotron radiation.

  8. Interaction in equilibrium plasmas of charged macroparticles located in nodes of cubic lattices

    Science.gov (United States)

    Filippov, A. V.

    2016-11-01

    Interaction of two charged pointlike macroparticles located at nodes of simple cubic (sc), body-centered cubic (bcc) and face-centered cubic (fcc) lattices in an equilibrium plasma is studied within the linearized Poisson-Boltzmann model. It is shown that the boundary shape has a strong influence on the electrostatic interaction between two macroparticles, which switches from repulsion at small interparticle distances to attraction as it approaches the halflength of a computational cell. It is found that in a case of dust particles arranged in the nodes of the sc, bcc and fcc lattices, the electrostatic force acting on them is equal to zero and the nature of the interaction changes from repulsion to attraction; hence, the infinite sc, bcc and fcc lattices of charged dust particles are thermodynamically stable at rather low temperatures.

  9. Numerical evidence for bcc ordering at the surface of a critical fcc nucleus

    OpenAIRE

    Wolde, P.R. ten; Ruiz-Montero, M. J.; Frenkel, D.

    1995-01-01

    We report a computer-simulation study of the crystal nucleation barrier and the structure of crystal nuclei in a Lennard-Jones system at moderate supercooling. The stable structure of the Lennard-Jones solid is known to be face-centered cubic. We find that the precritical nuclei are predominantly body-centered cubic ordered. But, as the nucleus grows to its critical size, the core becomes fcc ordered. Surprisingly, however, the interface of the critical nucleus retains a high degree of bcc-li...

  10. Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30.

    Science.gov (United States)

    Adidharma, Hertanto; Tan, Sugata P

    2016-07-07

    Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T(∗) ≤ 1.20) and high densities (0.96 ≤ ρ(∗) ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

  11. Crystallographic dependence of CO activation on cobalt catalysts: HCP versus FCC.

    Science.gov (United States)

    Liu, Jin-Xun; Su, Hai-Yan; Sun, Da-Peng; Zhang, Bing-Yan; Li, Wei-Xue

    2013-11-06

    Identifying the structure sensitivity of catalysts in reactions, such as Fischer-Tropsch synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in heterogeneous catalysis. Based on a first-principles kinetic study, we find for the first time that CO activation on hexagonal close-packed (HCP) Co not only has much higher intrinsic activity than that of face centered-cubic (FCC) Co but also prefers a different reaction route, i.e., direct dissociation with HCP Co but H-assisted dissociation on the FCC Co. The origin is identified from the formation of various denser yet favorable active sites on HCP Co not available for FCC Co, due to their distinct crystallographic structure and morphology. The great dependence of the activity on the crystallographic structure and morphology of the catalysts revealed here may open a new avenue for better, stable catalysts with maximum mass-specific reactivity.

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

    KAUST Repository

    Vad, Viktor

    2014-06-01

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

  13. Synthesis of 4H/fcc Noble Multimetallic Nanoribbons for Electrocatalytic Hydrogen Evolution Reaction.

    Science.gov (United States)

    Fan, Zhanxi; Luo, Zhimin; Huang, Xiao; Li, Bing; Chen, Ye; Wang, Jie; Hu, Yanling; Zhang, Hua

    2016-02-03

    Noble multimetallic nanomaterials, if only consisting of Au, Ag, Pt, and Pd, typically adopt the high-symmetry face-centered cubic (fcc) structure. Here for the first time, by using the 4H/fcc Au@Ag nanoribbons (NRBs) as seeds, we report the synthesis of 4H/fcc trimetallic Au@PdAg core-shell NRBs via the galvanic reaction method under ambient conditions. Moreover, this strategy can also be used to synthesize 4H/fcc trimetallic Au@PtAg and quatermetallic Au@PtPdAg core-shell NRBs. Impressively, for the first time, these alloy shells, i.e., PdAg, PtAg, and PtPdAg, epitaxially grown on the 4H/fcc Au core with novel 4H hexagonal phase were successfully synthesized. Remarkably, the obtained 4H/fcc Au@PdAg NRBs exhibit excellent electrocatalytic activity toward the hydrogen evolution reaction, which is even quite close to that of the commercial Pt black. We believe that our findings here may provide a novel strategy for the crystal-structure-controlled synthesis of advanced functional noble multimetallic nanomaterials with various promising applications.

  14. Modulating fcc and hcp Ruthenium on the Surface of Palladium-Copper Alloy through Tunable Lattice Mismatch.

    Science.gov (United States)

    Yao, Yancai; He, Dong Sheng; Lin, Yue; Feng, Xiaoqian; Wang, Xin; Yin, Peiqun; Hong, Xun; Zhou, Gang; Wu, Yuen; Li, Yadong

    2016-04-25

    Herein, we report an epitaxial-growth-mediated method to grow face-centered cubic (fcc) Ru, which is thermodynamically unfavorable in the bulk form, on the surface of Pd-Cu alloy. Induced by the galvanic replacement between Ru and Pd-Cu alloy, a shape transformation from a Pd-Cu@Ru core-shell to a yolk-shell structure was observed during the epitaxial growth. The successful coating of the unconventional crystallographic structure is critically dependent on the moderate lattice mismatch between the fcc Ru overlayer and PdCu3 alloy substrate. Further, both fcc and hexagonal close packed (hcp) Ru can be selectively grown through varying the lattice spacing of the Pd-Cu substrate. The presented findings provide a new synthetic pathway to control the crystallographic structure of metal nanomaterials.

  15. A novel potential: the interlayer potential for the fcc (111) plane family.

    Science.gov (United States)

    Tian, Fu-Yang; Chen, Nan-Xian; Shen, Jiang; Vitos, Levente

    2012-02-01

    We propose a novel interlayer potential, which is different from usual interatomic potentials. The interlayer potential represents the interaction between atomic layers in a layered material. Based on the Chen-Möbius inversion method in combination with ab initio calculations, the interlayer interactions are obtained for the face centered cubic (fcc) (111) planes. In order to check the validity of our interlayer potential, we calculate the intrinsic stacking fault energy (γ(sf)) and the surface energy (γ(s)) of five metals: Al, Ni, Cu, Ag and Au. The predicted γ(sf) and γ(s) values are compared with the theoretical results obtained from direct calculations and also with the available experimental data. Using the interlayer potentials, we also investigate the phonon dispersion and phonon density of state in the fcc (111) plane family of the considered metals.

  16. FCC-HCP coexistence in dense thermo-responsive microgel crystals

    Science.gov (United States)

    Karthickeyan, D.; Joshi, R. G.; Tata, B. V. R.

    2017-06-01

    Analogous to hard-sphere suspensions, monodisperse thermo-responsive poly (N-isopropyl acrylamide) (PNIPAM) microgel particles beyond a volume fraction (ϕ) of 0.5 freeze into face centered cubic (FCC)-hexagonal close packed (HCP) coexistence under as prepared conditions and into an FCC structure upon annealing. We report here FCC-HCP coexistence to be stable in dense PNIPAM microgel crystals (ϕ > 0.74) with particles in their deswollen state (referred to as osmotically compressed microgel crystals) and the FCC structure with particles in their swollen state by performing annealing studies with different cooling rates. The structure of PNIPAM microgel crystals is characterized using static light scattering technique and UV-Visible spectroscopy and dynamics by dynamic light scattering (DLS). DLS studies reveal that the particle motion is diffusive at short times in crystals with ϕ 0.74. The observed sub-diffusive behavior at short times is due to the overlap (interpenetration) of the dangling polymer chains between the shells of neighbouring PNIPAM microgel particles. Overlap is found to disappear upon heating the crystals well above their melting temperature, Tm due to reduction in the particle size. Annealing studies confirm that the overlap of dangling polymer chains between the shells of neighbouring PNIPAM spheres is responsible for the stability of FCC-HCP coexistence observed in osmotically compressed PNIPAM microgel crystals. Results are discussed in the light of recent reports of stabilizing the HCP structure in hard sphere crystals by adding interacting polymer chains.

  17. Unique Bonding Properties of the Au36(SR)24 Nanocluster with FCC-Like Core.

    Science.gov (United States)

    Chevrier, Daniel M; Chatt, Amares; Zhang, Peng; Zeng, Chenjie; Jin, Rongchao

    2013-10-03

    The recent discovery on the total structure of Au36(SR)24, which was converted from biicosahedral Au38(SR)24, represents a surprising finding of a face-centered cubic (FCC)-like core structure in small gold-thiolate nanoclusters. Prior to this finding, the FCC feature was only expected for larger (nano)crystalline gold. Herein, we report results on the unique bonding properties of Au36(SR)24 that are associated with its FCC-like core structure. Temperature-dependent X-ray absorption spectroscopy (XAS) measurements at the Au L3-edge, in association with ab initio calculations, show that the local structure and electronic behavior of Au36(SR)24 are of more molecule-like nature, whereas its icosahedral counterparts such as Au38(SR)24 and Au25(SR)18 are more metal-like. Moreover, site-specific S K-edge XAS studies indicate that the bridging motif for Au36(SR)24 has different bonding behavior from the staple motif from Au38(SR)24. Our findings highlight the important role of "pseudo"-Au4 units within the FCC-like Au28 core in interpreting the bonding properties of Au36(SR)24 and suggest that FCC-like structure in gold thiolate nanoclusters should be treated differently from its bulk counterpart.

  18. The hcp to fcc transformation path of scandium trihydride under high pressure.

    Science.gov (United States)

    Pakornchote, T; Pinsook, U; Bovornratanaraks, T

    2014-01-15

    We used density functional theory to calculate the phase stability of the hcp (hexagonal close packed) and the fcc (face centered cubic) structures of ScH3. The hcp form is stable up to 22 GPa according to the generalized gradient approximation calculation. Then the fcc form becomes energetically more stable. In order to provide insight into the phase transition mechanism, we modeled the hcp to fcc transition by sliding the hcp basal planes, i.e. (001)h planes, in such a way that the ABABAB sequence of the hcp form is altered into the ABCABC sequence of the fcc form. This sliding was suggested by the experiment. The configurations of these sliding steps are our proposed intermediate configurations, whose symmetry group is the Cm group. By using the Cm crystallography, we can match the d-spacings from the lattice planes of the hcp and fcc forms and the intermediate planes measured from the experiment. We also calculated the enthalpy per step, from which the energy barrier between the two phases at various pressures was derived. The barrier at 35 GPa is 0.370 eV per formula or 0.093 eV/atom. The movements of the hydrogen atoms during the hcp to intermediate phase transition are consistent with the result from the Raman spectra.

  19. Comparing the structural stability of PbS nanocrystals assembled in fcc and bcc superlattice allotropes.

    Science.gov (United States)

    Bian, Kaifu; Wang, Zhongwu; Hanrath, Tobias

    2012-07-04

    We investigated the structural stability of colloidal PbS nanocrystals (NCs) self-assembled into superlattice (SL) allotropes of either face-centered cubic (fcc) or body-centered cubic (bcc) symmetry. Small-angle X-ray scattering analysis showed that the NC packing density is higher in the bcc than in the fcc SL; this is a manifestation of the cuboctahedral shape of the NC building block. Using the high-pressure rock-salt/orthorhombic phase transition as a stability indicator, we discovered that the transition pressure for NCs in a bcc SL occurs at 8.5 GPa, which is 1.5 GPa higher than the transition pressure (7.0 GPa) observed for a fcc SL. The higher structural stability in the bcc SL is attributed primarily to the effective absorption of loading force in specific SL symmetry and to a lesser extent to the surface energy of the NCs. The experimental results provide new insights into the fundamental relationship between the symmetry of the self-assembled SL and the structural stability of the constituent NCs.

  20. Correlation effects in fcc-Fe(x)Ni(1-x) alloys investigated by means of the KKR-CPA.

    Science.gov (United States)

    Minár, J; Mankovsky, S; Šipr, O; Benea, D; Ebert, H

    2014-07-09

    The electronic structure and magnetic properties of the disordered alloy system fcc-FexNi1-x (fcc: face centered cubic) have been investigated by means of the KKR-CPA (Korringa-Kohn-Rostoker coherent potential approximation) band structure method. To investigate the impact of correlation effects, the calculations have been performed on the basis of the LSDA (local spin density approximation), the LSDA + U as well as the LSDA + DMFT (dynamical mean field theory). It turned out that the inclusion of correlation effects hardly changed the spin magnetic moments and the related hyperfine fields. The spin-orbit induced orbital magnetic moments and hyperfine fields, on the other hand, show a pronounced and element-specific enhancement. These findings are in full accordance with the results of a recent experimental study.

  1. Interface effect of magnetic properties in Ni nanoparticles with a hcp core and fcc shell structure.

    Science.gov (United States)

    Choo, Seongmin; Lee, Kyujoon; Jo, Younghun; Yoon, Seon-Mi; Choi, Jae-Young; Kim, Jea-Young; Park, Jea-Hoon; Lee, Kyung-Jin; Lee, Jong-Heun; Jung, Myung-Hwa

    2011-07-01

    We have fabricated hexagonal close-packed (hcp) Ni nanoparticles covered by a face-centered cubic (fcc) Ni surface layer by polyol method. The magnetic properties have been investigated as a function of temperature and applied magnetic field. The magnetic behavior reveals that the system should be divided magnetically into three distinct phases with different origins. The fcc Ni phase on the shell contributes to the superparamagnetism through a wide temperature range up to 360 K. The hcp Ni phase at the core is associated with antiferromagnetic nature below 12 K. These observations are in good agreement with the X-ray absorption spectroscopy and magnetic circular dichroism measurements. In our particular case, the unique hcp core and fcc shell structure gives rise to an additional anomaly at 20 K in the zero-field-cooled magnetization curve. Its position is barely affected by the magnetic field but its structure disappears above 30 kOe, showing a metamagnetic transition in the magnetization versus magnetic field curve. This new phase originates from the magnetic exchange at the interface between the hcp and fcc Ni sublattices.

  2. Size dependence of structural parameters in fcc and hcp Ru nanoparticles, revealed by Rietveld refinement analysis of high-energy X-ray diffraction data.

    Science.gov (United States)

    Song, Chulho; Sakata, Osami; Kumara, Loku Singgappulige Rosantha; Kohara, Shinji; Yang, Anli; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

    2016-08-10

    To reveal the origin of the CO oxidation activity of Ruthenium nanoparticles (Ru NPs), we structurally characterized Ru NPs through Rietveld refinement analysis of high-energy X-ray diffraction data. For hexagonal close-packed (hcp) Ru NPs, the CO oxidation activity decreased with decreasing domain surface area. However, for face-centered cubic (fcc) Ru NPs, the CO oxidation activity became stronger with decreasing domain surface area. In comparing fcc Ru NPs with hcp Ru NPs, we found that the hcp Ru NPs of approximately 2 nm, which had a smaller domain surface area and smaller atomic displacement, showed a higher catalytic activity than that of fcc Ru NPs of the same size. In contrast, fcc Ru NPs larger than 3.5 nm, which had a larger domain surface area, lattice distortion, and larger atomic displacement, exhibited higher catalytic activity than that of hcp Ru NPs of the same size. In addition, the fcc Ru NPs had larger atomic displacements than hcp Ru NPs for diameters ranging from 2.2 to 5.4 nm. Enhancement of the CO oxidation activity in fcc Ru NPs may be caused by an increase in imperfections due to lattice distortions of close-packed planes and static atomic displacements.

  3. Why FCC

    Science.gov (United States)

    Angele, W.

    1972-01-01

    Summaries are given of design characteristics and various advantages of FCC use. The information is presented in tables that include the following headings: (1) mechanical design, (2) electrical design, (3) manufacturing advantages, (4) inspection and reliability, and (5) cost savings. In addition, the results are summarized of a Saturn 4B FCC-RWC comparison study.

  4. Reassessment of Atomic Mobilities in fcc Cu-Ag-Sn System Aiming at Establishment of an Atomic Mobility Database in Sn-Ag-Cu-In-Sb-Bi-Pb Solder Alloys

    Science.gov (United States)

    Xu, Huixia; Zhang, Lijun; Cheng, Kaiming; Chen, Weimin; Du, Yong

    2017-04-01

    To establish an accurate atomic mobility database in solder alloys, a reassessment of atomic mobilities in the fcc (face centered cubic) Cu-Ag-Sn system was performed as reported in the present work. The work entailed initial preparation of three fcc Cu-Sn diffusion couples, which were used to determine the composition-dependent interdiffusivities at 873 K, 923 K, and 973 K, to validate the literature data and provide new experimental data at low temperatures. Then, atomic mobilities in three boundary binaries, fcc Cu-Sn, fcc Ag-Sn, and fcc Cu-Ag, were updated based on the data for various experimental diffusivities obtained from the literature and the present work, together with the available thermodynamic database for solder alloys. Finally, based on the large number of interdiffusivities recently measured from the present authors, atomic mobilities in the fcc Cu-Ag-Sn ternary system were carefully evaluated. A comprehensive comparison between various calculated/model-predicted diffusion properties and the experimental data was used to validate the reliability of the obtained atomic mobilities in ternary fcc Cu-Ag-Sn alloys.

  5. Ru Nanoframes with an fcc Structure and Enhanced Catalytic Properties.

    Science.gov (United States)

    Ye, Haihang; Wang, Qingxiao; Catalano, Massimo; Lu, Ning; Vermeylen, Joseph; Kim, Moon J; Liu, Yuzi; Sun, Yugang; Xia, Xiaohu

    2016-04-13

    Noble-metal nanoframes are of great interest to many applications due to their unique open structures. Among various noble metals, Ru has never been made into nanoframes. In this study, we report for the first time an effective method based on seeded growth and chemical etching for the facile synthesis of Ru nanoframes with high purity. The essence of this approach is to induce the preferential growth of Ru on the corners and edges of Pd truncated octahedra as the seeds by kinetic control. The resultant Pd-Ru core-frame octahedra could be easily converted to Ru octahedral nanoframes of ∼2 nm in thickness by selectively removing the Pd cores through chemical etching. Most importantly, in this approach the face-centered cubic (fcc) crystal structure of Pd seeds was faithfully replicated by Ru that usually takes an hcp structure. The fcc Ru nanoframes showed higher catalytic activities toward the reduction of p-nitrophenol by NaBH4 and the dehydrogenation of ammonia borane compared with hcp Ru nanowires with roughly the same thickness.

  6. Constitutive Model for an FCC Single-Crystal Material

    Institute of Scientific and Technical Information of China (English)

    DING Zhi-ping; LIU Yi-lun; YIN Ze-yong; YANG Zhi-guo; CHENG Xiao-ming

    2006-01-01

    Talking into account the effects that the components of tension stresses couple with components of torsion stresses when off-axis loads are applied to orthotropic materials.Hill's yield criterion for plastically orthotropic solids is modified by adding an invariant that is composed of the product item of quadratic components of the deviatoric siress tensor,and a new yield criteflon is put forward in terms of the characteristics of the face-centered cubic(FCC) single-crystal material.The correlation of prediction and experiments is very good.and the new criterion is used to predict the yield stresses of an intemal single-crystal,Nickel-based superalloy,DD3,which is more accurate than that Of Hill's at 760°C.Equivalent stress and strain that adapt to the new criterion are defined.Thinking of the yield function as a plastic potential function from the associated flow rule.the elastic-plastic constitutive model for the FCC single-crystal material is constructed,and the corresponding elastic-plastic matrix iseduced.The new yield criterion and its equivalent stress and strain will be reduced to Von Mises' yield criterion and corresponding equivalent stress and strain for isotropic materials.

  7. Effects of Co doping on the metamagnetic states of the ferromagnetic fcc Fe-Co alloy.

    Science.gov (United States)

    Ortiz-Chi, Filiberto; Aguayo, Aarón; de Coss, Romeo

    2013-01-16

    The evolution of the metamagnetic states in the ferromagnetic face centered cubic (fcc) Fe(1-x)Co(x) alloy as a function of Co concentration has been studied by means of first-principles calculations. The ground state properties were obtained using the full-potential linear augmented plane wave method and the generalized gradient approximation for the exchange-correlation functional. The alloying was modeled using the virtual crystal approximation and the magnetic states were obtained from the calculations of the total energy as a function of the spin moment, using the fixed spin moment method. For ferromagnetic fcc Fe, the binding-energy curve shows metamagnetic behavior, with two minima corresponding to a small-volume, low-spin (LS) state and a large-volume, high-spin (HS) state, which are separated by a small energy (E(LS) ≲ E(HS)). The evolution of the magnetic moment, the exchange integral (J), and the binding-energy curve is analyzed in the whole range of Co concentrations (x). The magnetic moment corresponding to the HS state decreases monotonically from 2.6 μ(B)/atom in fcc Fe to 1.7 μ(B)/atom in fcc Co. In contrast, the exchange integral for the HS state shows a maximum at around x = 0.45. The thermal dependence of the lattice parameter is evaluated with a method based on statistical mechanics using the binding-energy curve as an effective potential. It is observed that the behavior of the lattice parameter with temperature is tuned by Co doping, from negative thermal expansion in fcc Fe to positive thermal expansion in fcc Co, through the modification of the energetics of the metamagnetic states.

  8. Interaction of macroparticles localized in Wigner-Seitz cells of various types of cubic lattices in an equilibrium plasma

    Science.gov (United States)

    Filippov, A. V.

    2016-10-01

    The interaction of two charged point macroparticles located in Wigner-Seitz cells of simple cubic (SC), body-centered cubic (BCC), or face-centered cubic (FCC) lattices in an equilibrium plasma has been studied within the Debye approximation or, more specifically, based on the linearized Poisson-Boltzmann model. The shape of the outer boundary is shown to exert a strong influence on the pattern of electrostatic interaction between the two macroparticles, which transforms from repulsion at small interparticle distances to attraction as the interparticle distance approaches half the length of the computational cell. The macroparticle pair interaction potential in an equilibrium plasma is shown to be nevertheless the Debye one and purely repulsive for likely charged macroparticles.

  9. 典型晶格结构FCC/BCC钢的剧烈塑性变形研究现状%Research progress on severe plastic deformation of steels with BCC/FCC crystal structures

    Institute of Scientific and Technical Information of China (English)

    马明; 蔡明晖; 唐正友; 丁桦

    2015-01-01

    晶格结构(体心立方BCC、面心立方FCC及其复合形式)类型对金属材料剧烈塑性变形过程中的晶粒细化机制产生重要影响。本文以不同晶格结构的钢铁材料为对象,重点阐述和总结了不同晶格结构类型及其变形模式差异对剧烈塑性变形过程中晶粒细化理论、组织形貌和力学性能的影响规律,其结果有望为探索剧烈塑性变形工艺过程中的组织细化理论提供一个新途径。%The crystal-structure types of metallic materials such as face-centered cubic ( FCC) and body-centered cubic ( BCC) play a crucial role on ultra-grain refinement during severe plastic deformation ( SPD) . This work will focus on three different types of steels with BCC, FCC, and BCC/FCC crystal structures, and comprehensively discuss and summarize the influence of different crystal - structure types on deformation modes, ultra - grain refinement, microstructure and properties, which will provide a new route to apply and develop this theory to ultra - grain refinement of metallic materials through SPD processing.

  10. Exotic magnetism on the quasi-fcc lattices of the d3 double Perovskites La2NaB'O6 (B'=Ru, Os).

    Science.gov (United States)

    Aczel, A A; Baker, P J; Bugaris, D E; Yeon, J; Zur Loye, H-C; Guidi, T; Adroja, D T

    2014-03-21

    We find evidence for long-range and short-range (ζ=70 Å at 4 K) incommensurate magnetic order on the quasi-face-centered-cubic (fcc) lattices of the monoclinic double perovskites La2NaRuO6 and La2NaOsO6, respectively. Incommensurate magnetic order on the fcc lattice has not been predicted by mean field theory, but may arise via a delicate balance of inequivalent nearest neighbor and next nearest neighbor exchange interactions. In the Ru system with long-range order, inelastic neutron scattering also reveals a spin gap Δ ∼ 2.75 meV. Magnetic anisotropy is generally minimized in the more familiar octahedrally coordinated 3d3 systems, so the large gap observed for La2NaRuO6 may result from the significantly enhanced value of spin-orbit coupling in this 4d(3) material.

  11. Observation of Body-Centered Cubic Gold Nanocluster.

    Science.gov (United States)

    Liu, Chao; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Pang, Guangsheng; Rosi, Nathaniel L; Jin, Rongchao

    2015-08-17

    The structure of nanoparticles plays a critical role in dictating their material properties. Gold is well known to adopt face-centered cubic (fcc) structure. Herein we report the first observation of a body-centered cubic (bcc) gold nanocluster composed of 38 gold atoms protected by 20 adamantanethiolate ligands and two sulfido atoms ([Au38S2(SR)20], where R=C10H15) as revealed by single-crystal X-ray crystallography. This bcc structure is in striking contrast with the fcc structure of bulk gold and conventional Au nanoparticles, as well as the bi-icosahedral structure of [Au38(SCH2CH2Ph)24]. The bcc nanocluster has a distinct HOMO-LUMO gap of ca. 1.5 eV, much larger than the gap (0.9 eV) of the bi-icosahedral [Au38(SCH2CH2Ph)24]. The unique structure of the bcc gold nanocluster may be promising in catalytic applications.

  12. Strong screening by lattice confinement and resultant fusion reaction rates in fcc metals

    Science.gov (United States)

    Prados-Estévez, F. M.; Subashiev, A. V.; Nee, H. H.

    2017-09-01

    The effects of electronic screening on the cross sections and reactivities for the nuclear reactions between light nuclei in Pd and Ni is studied. We consider the applicability of the theory of thermonuclear burning in stars to the D-D nuclear reaction in metals. The screening model based on the mean field potential of the electron cloud in the metal plasma is used. We discuss the specifics of the screening for the H (D) atoms embedded in vacancies and divacancies. High concentration of hydrogen isotopes segregated to monovacancies and divacancies in face-centered cubic (fcc) metals such as Ni and Pd with densities of ∼ 6 ×1023atom /cm3 , makes the hydrogen cluster a favorable active site for the fusion reaction. Still the observation of a nuclear reaction requires an accumulation of energy in D nuclei of at least several eV, which is far above what can be achieved in the thermal heating experiments.

  13. Generation and enumeration of compact conformations on the two-dimensional triangular and three-dimensional fcc lattices

    Science.gov (United States)

    Peto, Myron; Sen, Taner Z.; Jernigan, Robert L.; Kloczkowski, Andrzej

    2007-07-01

    We enumerated all compact conformations within simple geometries on the two-dimensional (2D) triangular and three-dimensional (3D) face centered cubic (fcc) lattice. These compact conformations correspond mathematically to Hamiltonian paths and Hamiltonian circuits and are frequently used as simple models of proteins. The shapes that were studied for the 2D triangular lattice included m ×n parallelograms, regular equilateral triangles, and various hexagons. On the 3D fcc lattice we generated conformations for a limited class of skewed parallelepipeds. Symmetries of the shape were exploited to reduce the number of conformations. We compared surface to volume ratios against protein length for compact conformations on the 3D cubic lattice and for a selected set of real proteins. We also show preliminary work in extending the transfer matrix method, previously developed by us for the 2D square and the 3D cubic lattices, to the 2D triangular lattice. The transfer matrix method offers a superior way of generating all conformations within a given geometry on a lattice by completely avoiding attrition and reducing this highly complicated geometrical problem to a simple algebraic problem of matrix multiplication.

  14. Generation and enumeration of compact conformations on the two-dimensional triangular and three-dimensional fcc lattices.

    Science.gov (United States)

    Peto, Myron; Sen, Taner Z; Jernigan, Robert L; Kloczkowski, Andrzej

    2007-07-28

    We enumerated all compact conformations within simple geometries on the two-dimensional (2D) triangular and three-dimensional (3D) face centered cubic (fcc) lattice. These compact conformations correspond mathematically to Hamiltonian paths and Hamiltonian circuits and are frequently used as simple models of proteins. The shapes that were studied for the 2D triangular lattice included mxn parallelograms, regular equilateral triangles, and various hexagons. On the 3D fcc lattice we generated conformations for a limited class of skewed parallelepipeds. Symmetries of the shape were exploited to reduce the number of conformations. We compared surface to volume ratios against protein length for compact conformations on the 3D cubic lattice and for a selected set of real proteins. We also show preliminary work in extending the transfer matrix method, previously developed by us for the 2D square and the 3D cubic lattices, to the 2D triangular lattice. The transfer matrix method offers a superior way of generating all conformations within a given geometry on a lattice by completely avoiding attrition and reducing this highly complicated geometrical problem to a simple algebraic problem of matrix multiplication.

  15. Dislocation creation and void nucleation in FCC ductile metals under tensile loading: a general microscopic picture.

    Science.gov (United States)

    Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

    2014-11-10

    Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies.

  16. Symmetry-Guaranteed and Accidental Nodal-Line Semimetals in FCC Lattice

    CERN Document Server

    Kawakami, Takuto

    2016-01-01

    We demonstrate theoretically that nodal-line semimetal (NLS) states can be realized in face-center-cubic (fcc) lattice with orbits belonging to one irreducible representation, such as [$p_x$, $p_y$, $p_z$] and/or [$d_{xy}$, $d_{xz}$, $d_{yz}$]. It is shown that the three orbits are subdivided with respect to the odd- and even-parity upon mirror reflection on high symmetry planes, which yields an analytic expression for the trajectory of NL in momentum space when a tight-binding (TB) model is adopted. It becomes clear that there are two kinds of NLs, a symmetry-guaranteed one around the surface of the first Brillouin zone (BZ), and an accidental one around the BZ center governed by the hopping integrals. As a realization of the idea, we analyze the fcc photonic crystal composed of dielectric spheres by solving the Maxwell's equations. Two symmetry-guaranteed and one accidental NLS photonic states are observed. This provides a good platform to confirm experimentally the existence of topological NLS state, and o...

  17. The Role of Ligand Packing Frustration in Body-Centered Cubic (bcc) Superlattices of Colloidal Nanocrystals.

    Science.gov (United States)

    Goodfellow, Brian W; Yu, Yixuan; Bosoy, Christian A; Smilgies, Detlef-M; Korgel, Brian A

    2015-07-02

    This paper addresses the assembly of body centered-cubic (bcc) superlattices of organic ligand-coated nanocrystals. First, examples of bcc superlattices of dodecanethiol-capped Au nanocrystals and oleic acid-capped PbS and PbSe nanocrystals are presented and examined by transmission electron microscopy (TEM) and grazing incidence small-angle X-ray scattering (GISAXS). These superlattices tend to orient on their densest (110) superlattice planes and exhibit a significant amount of {112} twinning. The same nanocrystals deposit as monolayers with hexagonal packing, and these thin films can coexist with thicker bcc superlattice layers, even though there is no hexagonal plane in a bcc lattice. Both the preference of bcc in bulk films over the denser face-centered cubic (fcc) superlattice structure and the transition to hexagonal monolayers can be rationalized in terms of packing frustration of the ligands. A model is presented to calculate the difference in entropy associated with capping ligand packing frustration in bcc and fcc superlattices.

  18. In situ observation of deformation processes in nanocrystalline face-centered cubic metals.

    Science.gov (United States)

    Kobler, Aaron; Brandl, Christian; Hahn, Horst; Kübel, Christian

    2016-01-01

    The atomistic mechanisms active during plastic deformation of nanocrystalline metals are still a subject of controversy. The recently developed approach of combining automated crystal orientation mapping (ACOM) and in situ straining inside a transmission electron microscope was applied to study the deformation of nanocrystalline Pd x Au1- x thin films. This combination enables direct imaging of simultaneously occurring plastic deformation processes in one experiment, such as grain boundary motion, twin activity and grain rotation. Large-angle grain rotations with ≈39° and ≈60° occur and can be related to twin formation, twin migration and twin-twin interaction as a result of partial dislocation activity. Furthermore, plastic deformation in nanocrystalline thin films was found to be partially reversible upon rupture of the film. In conclusion, conventional deformation mechanisms are still active in nanocrystalline metals but with different weighting as compared with conventional materials with coarser grains.

  19. Low-temperature thermostatics of face-centered-cubic metallic hydrogen

    Science.gov (United States)

    Caron, L. G.

    1974-01-01

    The thermostatic properties of a high-symmetry phase of metallic hydrogen with atomic sphere radius between 0.1 and 1.5 bohr are studied, with special emphasis accorded to electronic screening and quantum proton motion. The electron-proton and proton-proton interactions receive a perturbation treatment based on the Singwi dielectric function, while the proton motion is handled by self-consistent harmonic approximation. Quantum behavior is found to be less pronounced than expected, and nuclear magnetism is absent. The phonon spectrum is, however, affected by screening and large proton motion. The zero-point vibrational energy and the superconducting critical temperature are below previous estimates. The crystalline-defect formation energies are a few times the Debye energy, which implies that defects contribute significantly to melting at the lower particle densities.

  20. Characteristics of Two-Dimensional Triangular and Three-Dimensional Face-Centered-Cubic Photonic Crystals

    Science.gov (United States)

    2006-03-01

    used in a photolithography process. The FIB would etch the PhC structure in the resist on the back of the mask so that the chrome could then be etched...and the resist stripped away. On the second mask, the FIB was used to etch all the way through the chrome (Figure 4.4). This approach was abandoned...must be examined to determine that this structure is feasible to support a waveguided mode. The first test case is where the top and bottom cladding of

  1. Microstructure and mechanical properties of bulk highly faulted fcc/hcp nanostructured cobalt microstructures

    Energy Technology Data Exchange (ETDEWEB)

    Barry, Aliou Hamady [Université Paris 13, Sorbonne Paris Cité, LSPM CNRS UPR 3407, 93430 Villetaneuse (France); Laboratoire Chimie des Matériaux, Département de Chimie, Faculté des Sciences et Technique, Université de Nouakchott (Mauritania, Islamic Republic of); Dirras, Guy, E-mail: dirras@unv-paris13.fr [Université Paris 13, Sorbonne Paris Cité, LSPM CNRS UPR 3407, 93430 Villetaneuse (France); Schoenstein, Frederic; Tétard, Florent; Jouini, Noureddine [Université Paris 13, Sorbonne Paris Cité, LSPM CNRS UPR 3407, 93430 Villetaneuse (France)

    2014-05-01

    Nanostructured cobalt powders with an average particle size of 50 nm were synthesized using a polyol method and subsequently consolidated by spark plasma sintering (SPS). SPS experiments performed at 650 °C with sintering times ranging from 5 to 45 min under a pressure of 100 MPa, yielded to dense bulk nanostructured cobalt (relative density greater than 97%). X-ray diffraction patterns of the as-prepared powders showed only a face centered cubic (fcc) crystalline phase, whereas the consolidated samples exhibited a mixture of both fcc and hexagonal close packed (hcp) phases. Transmission electron microscopy observations revealed a lamellar substructure with a high density of nanotwins and stacking faults in every grain of the sintered samples. Room temperature compression tests, carried out at a strain rate of 10{sup −3} s{sup −1}, yielded to highest strain to fracture values of up to 5% for sample of holding time of 15 min, which exhibited a yield strength of 1440 MPa, an ultimate strength as high as 1740 MPa and a Young's modulus of 205 GPa. The modulus of elasticity obtained from the nanoindentation tests, ranges from 181 to 218 GPa. The lowest modulus value of 181 GPa was obtained for the sample with the highest sintering time (45 min), which could be related to mass density loss as a consequence of trapped gases releasing. - Highlights: • Co nanopowder (50 nm) was prepared by reduction in polyol medium. • SPS was used to process bulk nanostructured Co specimens. • Microstructures were made of intricate fcc/hcp, along with nanotwins and SFs. • High strengths and moderate compressive ductility were obtained. • Deformation mechanisms related to complex interplay of different length scales.

  2. Energy of the Isolated Metastable Iron-Nickel FCC Nanocluster with a Carbon Atom in the Tetragonal Interstice.

    Science.gov (United States)

    Bondarenko, Natalya V; Nedolya, Anatoliy V

    2017-12-01

    The energy of the isolated iron-nickel nanocluster was calculated by molecular mechanics method using Lennard-Jones potential. The cluster included a carbon atom that drifted from an inside octahedral interstice to a tetrahedral interstice in [Formula: see text] direction and after that in direction to the surface. In addition, one of 14 iron atoms was replaced by a nickel atom, the position of which was changing during simulation.The energy of the nanocluster was estimated at the different interatomic distances. As a result of simulation, the optimal interatomic distances of Fe-Ni-C nanocluster was chosen for the simulation, in which height of the potential barrier was maximal and face-centered cubic (FCC) nanocluster was the most stable.It is shown that there were three main positions of a nickel atom that significantly affected nanocluster's energy.The calculation results indicated that position of the carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of FCC nanocluster. On the other side, the potential barrier was smaller in the direction [Formula: see text] than in the direction .This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster.

  3. FCC-ee Overview

    CERN Document Server

    Zimmermann, F; Benedikt, M; Burkhardt, H; Cerutti, F; Ferrari, A; Gutleber, J; Haerer, B; Holzer, B; Jensen, E; Kersevan, R; Lebrun, P; Martin, R; Mereghetti, A; Osborne, J; Papaphilippou, Y; Schulte, D; Tomas, R; Wenninger, J; Blondel, A; Koratzinos, M; Boscolo, M; Lari, L; Furukawa, K; Ohmi, K; Oide, K; White, S; Bogomyagkov, A; Koop, I; Levichev, E; Muchnoi, N; Nikitin, S; Shatilov, D; Wienands, U; Gianfelice, E; Medina, L

    2015-01-01

    The FCC-ee is a proposed circular e+e- collider installed in a new 100 km tunnel delivering high luminosity to four experiments at centre-of-mass energies ranging from 91 GeV (Z pole) over 160 GeV (W threshold) and 240 GeV (H production) to 350 GeV (t physics). The FCC-ee design is pursued as part of the global Future Circular Collider (FCC) study, which regards the FCC-ee as a potential intermediate step towards a 100-TeV hadron collider, called FCC-hh, sharing the same tunnel infrastructure. We here report the FCC-ee design status.

  4. New face-centered photonic square lattices with flat bands

    CERN Document Server

    Zhang, Yiqi; Li, Changbiao; Zhang, Zhaoyang; Zhang, Yanpeng; Xiao, Min

    2016-01-01

    We report two new classes of face-centered photonic square lattices with flat bands which we call the Lieb-I and the Lieb-II lattices. There are 5 and 7 sites in the corresponding unit cells of the simplest Lieb-I and Lieb-II lattices, respectively. The number of flat bands $m$ in the new Lieb lattices is related to the number of sites $N$ in the unit cell by $m=(N-1)/2$. Physical properties of the lattices with even and odd number of flat bands are different. We also consider localization of light in such Lieb lattices. If the input beam excites the flat-band mode, it will not diffract during propagation, owing to the strong localization in the flat-band mode. For the Lieb-II lattice, we also find that the beam will oscillate and still not diffract during propagation, because of the intrinsic oscillating properties of certain flat-band modes. The period of oscillation is determined by the energy difference between the two flat bands. This study provides a new platform for the investigation of flat-band modes...

  5. Highly anisotropic exchange interactions of jeff=1/2 iridium moments on the fcc lattice in La2B IrO6 (B =Mg ,Zn )

    Science.gov (United States)

    Aczel, A. A.; Cook, A. M.; Williams, T. J.; Calder, S.; Christianson, A. D.; Cao, G.-X.; Mandrus, D.; Kim, Yong-Baek; Paramekanti, A.

    2016-06-01

    We have performed inelastic neutron scattering (INS) experiments to investigate the magnetic excitations in the weakly distorted face-centered-cubic (fcc) iridate double perovskites La2ZnIrO6 and La2MgIrO6 , which are characterized by A-type antiferromagnetic ground states. The powder inelastic neutron scattering data on these geometrically frustrated jeff=1/2 Mott insulators provide clear evidence for gapped spin-wave excitations with very weak dispersion. The INS results and thermodynamic data on these materials can be reproduced by conventional Heisenberg-Ising models with significant uniaxial Ising anisotropy and sizeable second-neighbor ferromagnetic interactions. Such a uniaxial Ising exchange interaction is symmetry forbidden on the ideal fcc lattice, so that it can only arise from the weak crystal distortions away from the ideal fcc limit. This may suggest that even weak distortions in jeff=1/2 Mott insulators might lead to strong exchange anisotropies. More tantalizingly, however, we find an alternative viable explanation of the INS results in terms of spin models with a dominant Kitaev interaction. In contrast to the uniaxial Ising exchange, the highly directional Kitaev interaction is a type of exchange anisotropy which is symmetry allowed even on the ideal fcc lattice. The Kitaev model has a magnon gap induced by quantum order by disorder, while weak anisotropies of the Kitaev couplings generated by the symmetry lowering due to lattice distortions can pin the order and enhance the magnon gap. Our findings highlight how even conventional magnetic orders in heavy transition metal oxides may be driven by highly directional exchange interactions rooted in strong spin-orbit coupling.

  6. Frustrated fcc antiferromagnet Ba2YOsO6 : Structural characterization, magnetic properties, and neutron scattering studies

    Science.gov (United States)

    Kermarrec, E.; Marjerrison, C. A.; Thompson, C. M.; Maharaj, D. D.; Levin, K.; Kroeker, S.; Granroth, G. E.; Flacau, R.; Yamani, Z.; Greedan, J. E.; Gaulin, B. D.

    2015-02-01

    We report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba2YOsO6 . The F m 3 ¯m space group is found both at 290 K and 3.5 K with cell constants a0=8.3541 (4 ) Å and 8.3435 (4 ) Å, respectively. Os5 + (5 d3 ) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ˜-700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below TN˜69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μB on Os5 +. The ordered moment is much reduced from either the expected spin-only value of ˜3 μB or the value appropriate to 4 d3 Ru5 + in isostructural Ba2YRuO6 of 2.2(1) μB, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T =67.45 K, and the existence of a second-ordered state. Time-of-flight inelastic neutron results reveal a large spin gap Δ ˜17 meV, unexpected for an orbitally quenched, d3 electronic configuration. We discuss this in the context of the ˜5 meV spin gap observed in the related Ru5 +,4 d3 cubic double perovskite Ba2YRuO6 , and attribute the ˜3 times larger gap to stronger SOC present in this heavier, 5 d , osmate system.

  7. From Kepler's conjecture and fcc lattice to modelling of crowding in living matter.

    Science.gov (United States)

    Del Monte, Ugo; Caiani, Enrico G

    2013-01-01

    Up to now, sphere packing has been investigated without any reference to living matter. This study focuses on the void space (VS) of sphere packing to mimic the extracellular spaces of living tissues. It was inspired by the importance of the extracellular matrix, the vehicle of micro and macromolecules involved in cell metabolism, intercellular communication and drug delivery. The analysis of sphere packing evidenced that in uniform random packing VS is about 1.9 times greater than in the face centered cubic (fcc) lattice (thus being very close to the 1.9 volume ratio of the cube to the sphere). This datum is a good reference for cell packing in vivo. The disproportionate increase of VS per sphere in loose packing in vitro is analyzed having in mind the variability in volume and composition of the interstitial spaces in vivo and cell trafficking. Arrangements of lymphocytes mimicking a two-dimensional hexagonal pattern and dense packing of disks generated by numerical procedures, are described in 7 micro m-thick haematoxylin and eosin-stained histological slices from a human lymph node. In narrow tubes simulating roundish cells arranged in limited compartments of the interstice, sphere packing is characterized by noticeable increases of VS. The VS of this packing in vitro is compatible with variability in volume and composition of the interstitial spaces and with cell trafficking in vivo. This paper stresses that in mammalian tissues and organs cells can be packed quite more densely than spheres in the fcc lattice. As to pathology, attention is focused: (i) on overcrowding of cell organelles in some diseases, (ii) on shrinking or swelling of high amplitude, whose opposite effects are to concentrate or dilute intracellular structures and crowding of macromolecules, and (iii) on neoplastic tissues.

  8. BDA: A novel method for identifying defects in body-centered cubic crystals.

    Science.gov (United States)

    Möller, Johannes J; Bitzek, Erik

    2016-01-01

    The accurate and fast identification of crystallographic defects plays a key role for the analysis of atomistic simulation output data. For face-centered cubic (fcc) metals, most existing structure analysis tools allow for the direct distinction of common defects, such as stacking faults or certain low-index surfaces. For body-centered cubic (bcc) metals, on the other hand, a robust way to identify such defects is currently not easily available. We therefore introduce a new method for analyzing atomistic configurations of bcc metals, the BCC Defect Analysis (BDA). It uses existing structure analysis algorithms and combines their results to uniquely distinguish between typical defects in bcc metals. In essence, the BDA method offers the following features:•Identification of typical defect structures in bcc metals.•Reduction of erroneously identified defects by iterative comparison to the defects in the atom's neighborhood.•Availability as ready-to-use Python script for the widespread visualization tool OVITO [http://ovito.org].

  9. Segregation and H2 transport rate control in body-centered cubic PdCu membranes.

    Science.gov (United States)

    Yuan, Lixiang; Goldbach, Andreas; Xu, Hengyong

    2007-09-20

    The H2 permeation of a supported 2 microm thick Pd48Cu52 membrane was investigated between 373 and 909 K at DeltaP=0.1 MPa. The initial H2 flux was 0.3 mol.m(-2).s(-1) at 723 K with an ideal H2/N2 selectivity better than 5000. The membrane underwent a bcc-fcc (body-centered cubic to face-centered cubic) phase transition between 723 and 873 K resulting in compositional segregation. After reannealing at 723 K the alloy layer reverted to a bcc structure although a small fcc fraction remained behind. The mixed-phase morphology was analyzed combining X-ray diffraction with scanning electron microscopy-energy-dispersive spectroscopic analysis (SEM-EDS) measurements, which revealed micrometer-scale Cu-enriched bcc and Cu-depleted fcc domains. The H2 flux JH2 of the fcc Pd48Cu52 single phase layer prevailing above 873 K could be described by an Arrhenius law with JH2=(7.6+/-4.9) mol.m(-2).s(-1) exp[(-32.9+/-4.5) kJ.mol(-1)/(RT)]. The characterization of the H2 flux in the mixed-phase region required two Arrhenius laws, i.e., JH2=(1.35+/-0.14) mol.m(-2).s(-1) exp[(-10.3+/-0.5) kJ.mol(-1)/(RT)] between 523 and ca. 700 K and JH2=(56.1+/-9.3) mol.m(-2).s(-1) exp[(-25.3+/-0.6) kJ.mol(-1)/(RT)] below 454 K. The H2 flux exhibited a square root pressure dependence above 523 K, but the pressure exponent gradually increased to 0.77 upon cooling to 373 K. The activation energy and pressure dependence in the intermediate temperature range are consistent with a diffusion-limited H2 transport, while the changes of these characteristics at lower temperatures indicate a desorption-limited H2 flux. The prevalence of desorption as the permeation rate-limiting step below 454 K is attributed to the pairing of an extraordinarily high hydrogen diffusivity with a marginal hydrogen solubility in bcc PdCu alloys. These result in an acceleration of the bulk diffusion rate and a deceleration of the desorption rate, respectively, allowing the bulk diffusion rate to surpass the desorption rate up to

  10. Can the Lennard-Jones solid be expected to be fcc?

    OpenAIRE

    Waal, de, SAJ Bas

    1991-01-01

    The structure of the Lennard-Jones solid, obtained by molecular-dynamics simulation of crystallization in the supercooled liquid, may be fcc, although the hcp structure is energetically more favorable. This could derive from the cubic symmetry of the fcc lattice, allowing lattice defects that are not possible in the hcp arrangement, but are essential to crystal growth in the simulated liquid. Two crossing stacking faults in a small fcc crystallite can produce nonvanishing, growth-promoting, b...

  11. Can the Lennard-Jones solid be expected to be fcc?

    NARCIS (Netherlands)

    Waal, van de Benjamin W.

    1991-01-01

    The structure of the Lennard-Jones solid, obtained by molecular-dynamics simulation of crystallization in the supercooled liquid, may be fcc, although the hcp structure is energetically more favorable. This could derive from the cubic symmetry of the fcc lattice, allowing lattice defects that are no

  12. Ferromagnetic Fe on Cu(001) throughout the fcc-like phase: arguing from the viewpoint of the electronic structure.

    Science.gov (United States)

    Donath, M; Pickel, M; Schmidt, A B; Weinelt, M

    2009-04-01

    The scientific enthusiasm for ultrathin Fe films on Cu(001) has now lasted for more than 20 years. Is there ferromagnetic iron with a face-centred cubic (fcc) structure? Does ferromagnetism in Fe hinge on the body-centred cubic (bcc) structure? In this contribution, we try to establish that the electron system gives evidence of ferromagnetic behaviour with fcc-like electronic bands. We examine a crystal-induced surface state, which is characteristic of fcc surface order. Furthermore, we compare electronic signatures of fcc and bcc: the d-band exchange splitting, image-potential-state energies and the work function. We conclude that, from the viewpoint of the electronic structure, Fe on Cu(001) is found to be ferromagnetic throughout the fcc-like phase. This result raises a new question: how much deviation from the relaxed fcc order is acceptable without losing the electronic signature of fcc?

  13. Elastic constants of random solid solutions by SQS and CPA approaches: the case of fcc Ti-Al.

    Science.gov (United States)

    Tian, Li-Yun; Hu, Qing-Miao; Yang, Rui; Zhao, Jijun; Johansson, Börje; Vitos, Levente

    2015-08-12

    Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. Here we scrutinize these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. We compare the elastic parameters obtained from SQS and CPA calculations, taking the random face-centered cubic (fcc) Ti(1-x)Al(x) (0 ≤ x ≤ 1) alloy as an example of systems with components showing different electronic structures and bonding characteristics. For the CPA and SQS calculations, we employ the Exact Muffin-Tin Orbitals (EMTO) method and the pseudopotential method as implemented in the Vienna Ab initio Simulation Package (VASP), respectively. We show that the predicted trends of the VASP-SQS and EMTO-CPA parameters against composition are in good agreement with each other. The energy associated with the LLD increases with x up to x = 0.625 ~ 0.750 and drops drastically thereafter. The influence of the LLD on the lattice constants and C12 elastic constant is negligible. C11 and C44 decrease after atomic relaxation for alloys with large LLD, however, the trends of C11 and C44 are not significantly affected. In general, the uncertainties in the elastic parameters associated with the symmetry lowering turn out to be superior to the differences between the two techniques including the effect of LLD.

  14. Silicide induced surface defects in FePt nanoparticle fcc-to-fct thermally activated phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shu; Lee, Stephen L. [School of Physics and Astronomy, SUPA, University of St Andrews, St Andrews KY16 9SS (United Kingdom); André, Pascal, E-mail: pjpandre@riken.jp [School of Physics and Astronomy, SUPA, University of St Andrews, St Andrews KY16 9SS (United Kingdom); RIKEN, Wako 351-0198 (Japan); Department of Physics, CNRS-Ewha International Research Center (CERC), Ewha W. University, Seoul 120-750 (Korea, Republic of)

    2016-11-01

    Magnetic nanoparticles (MnPs) are relevant to a wide range of applications including high density information storage and magnetic resonance imaging to name but a few. Among the materials available to prepare MnPs, FePt is attracting growing attention. However, to harvest the strongest magnetic properties of FePt MnPs, a thermal annealing is often required to convert face-centered cubic as synthesized nPs into its tetragonal phase. Rarely addressed are the potential side effects of such treatments on the magnetic properties. In this study, we focus on the impact of silica shells often used in strategies aiming at overcoming MnP coalescence during the thermal annealing. While we show that this shell does prevent sintering, and that fcc-to-fct conversion does occur, we also reveal the formation of silicide, which can prevent the stronger magnetic properties of fct-FePt MnPs from being fully realised. This report therefore sheds lights on poorly investigated and understood interfacial phenomena occurring during the thermal annealing of MnPs and, by doing so, also highlights the benefits of developing new strategies to avoid silicide formation.

  15. Electrical impedance of FCC

    Science.gov (United States)

    Liu, Y. S.

    1972-01-01

    The electrical characteristics of FCC are investigated in the context of multiple transmission lines theory. Analytical expressions for the coefficients of capacitance of conductors in a single cable are obtained. Numerical values calculated with these expressions are in good agreement with experimental data. Crosstalk, attenuation constants and phase angles of the current and voltage in flat conductor cable are also calculated.

  16. FCC Official Brochure - 2016

    CERN Multimedia

    Charitos, Panagiotis

    2016-01-01

    The FCC brochure describes the main scope of the study and give more information about the main scenarios explored under the study. It also highlights the R&D efforts under the study that will go into a Conceptual Design Report. Finally, it offers more information about the collaboration and a list of useful contact details.

  17. Temperature rise of installed FCC

    Science.gov (United States)

    Hankins, J. D.

    1976-01-01

    Report discusses temperature profiles of installed FCC for wood and tile surfaces. Three-conductor FCC was tested at twice nominal current-carrying capacity over bare floor and under carpet, with result indicating that temperature rise is not a linear function of current with FCC at this level.

  18. The FCC in Fiscal 1971.

    Science.gov (United States)

    Federal Communications Commission, Washington, DC.

    Fiscal 1971 saw major actions by the Federal Communications Commission (FCC) in all areas of its jurisdiction. In broadcasting, the FCC proposed new renewal rules and policies and issued a number of significant rulings on Fairness Doctrine matters. A policy statement outlining FCC cable television plans was submitted to the Congress. In the common…

  19. Stability of the high-pressure body-centered-cubic phase of helium

    NARCIS (Netherlands)

    Frenkel, D.

    1986-01-01

    This paper report absolute free-energy calculations of the fluid, body-centered-cubic, and face-centered-cubic phases of helium at T=327.04 K. We find that at and around this temperature the model potential proposed by Aziz et al. doe not yield a stable bcc phase. Quantum corrections do not alter th

  20. Stability of the high-pressure body-centered-cubic phase of helium

    OpenAIRE

    Frenkel, D.

    1987-01-01

    This paper report absolute free-energy calculations of the fluid, body-centered-cubic, and face-centered-cubic phases of helium at T=327.04 K. We find that at and around this temperature the model potential proposed by Aziz et al. doe not yield a stable bcc phase. Quantum corrections do not alter this conclusion

  1. Rheological Modeling with Hookean Bead-Spring Cubes (SC, BBC and FCC)

    NARCIS (Netherlands)

    Denneman, A.I.M.; Jongschaap, R.J.J.; Mellema, J.

    1998-01-01

    In this study a general bead-spring model is used for predicting some rheological properties of a cubic bead-spring structure of arbitrary size immersed in a Newtonian solvent. The topology of this bead-spring structure is based upon the well-known cubic crystals (SC, BCC or FCC) and it consists of

  2. The elastic properties and stability of fcc-Fe and fcc-FeNi alloys at inner-core conditions

    Science.gov (United States)

    Martorell, Benjamí; Brodholt, John; Wood, Ian G.; Vočadlo, Lidunka

    2015-07-01

    The agreement between shear wave velocities for the Earth's inner core observed from seismology with those derived from mineral physics is considerably worse than for any other region of the Earth. Furthermore, there is still debate as to the phase of iron present in the inner core, particularly when alloying with nickel and light elements is taken into account. To investigate the extent to which the mismatch between seismology and mineral physics is a function of either crystal structure and/or the amount of nickel present, we have used ab initio molecular dynamics simulations to calculate the elastic constants and seismic velocities (Vp and Vs) of face centred cubic (fcc) iron at Earth's inner core pressures (360 GPa) and at temperatures up to ˜7000 K. We find that Vp for fcc iron (fcc-Fe) is very similar to that for hexagonal close packed (hcp) iron at all temperatures. In contrast, Vs for fcc-Fe is significantly higher than in hcp-Fe, with the difference increasing with increasing temperature; the difference between Vs for the core (from seismology) and Vs for fcc-Fe exceeds 40 per cent. These results are consistent with previous work at lower temperatures. We have also investigated the effect of 6.5 and 13 atm% Ni in fcc-Fe. We find that Ni only slightly reduces Vp and Vs (e.g. by 2 per cent in Vs for 13 atm% Ni at 5500 K), and cannot account for the difference between the velocities observed in the core and those of pure fcc-Fe. We also tried to examine pre-melting behaviour in fcc-Fe, as reported in hcp-Fe by extending the study to very high temperatures (at which superheating may occur). However, we find that fcc-Fe spontaneously transforms to other hcp-like structures before melting; two hcp-like structures were found, both of hexagonal symmetry, which may most easily be regarded as being derived from an hcp crystal with stacking faults. That the structure did not transform to a true hcp phase is likely as a consequence of the limited size of the

  3. Numerical evidence for bcc ordering at the surface of a critical fcc nucleus

    NARCIS (Netherlands)

    Wolde, P.R. ten; Ruiz-Montero, M.J.; Frenkel, D.

    1995-01-01

    We report a computer-simulation study of the crystal nucleation barrier and the structure of crystal nuclei in a Lennard-Jones system at moderate supercooling. The stable structure of the Lennard-Jones solid is known to be face-centered cubic. We find that the precritical nuclei are predominantly

  4. Numerical evidence for bcc ordering at the surface of a critical fcc nucleus

    NARCIS (Netherlands)

    Wolde, P.R. ten; Ruiz-Montero, M.J.; Frenkel, D.

    1995-01-01

    We report a computer-simulation study of the crystal nucleation barrier and the structure of crystal nuclei in a Lennard-Jones system at moderate supercooling. The stable structure of the Lennard-Jones solid is known to be face-centered cubic. We find that the precritical nuclei are predominantly bo

  5. Diffusion of interstitial Dumbell in FCC concentrated alloys: connection with the percolation; Diffusion du defaut interstitiel dans un alliage concentre de structure CFC: lien avec la percolation

    Energy Technology Data Exchange (ETDEWEB)

    Bocquet, J.L.

    1993-12-31

    The migration mechanism of the interstitial dumbbell in a FCC (face centered cubic) lattice constrains its path on a sublattice with a coordination number of 8. In a random binary alloy AB, in which only species B has a noticeable mobility, the long range migration of the dumbbell defect is possible only if the concentration of B is larger than the percolation threshold {rho}{sub c} on the sublattice. Standard techniques have been employed to get a first evaluation of this threshold: the cluster density n(s) is obtained after an automatic counting of the clusters up to a size of 15 and a d-Log Pade approximants analysis of the various moments of this density function is performed. The use of a recent conjecture concerning the critical behaviour of the moments of n(s) in the neighbourhood of {rho}{sub c} helps us to extract simultaneously from our data reasonable values of the critical exponents {beta} and {alpha}, together with a value of {rho}{sub c} = 0.2780 + 0.0005. (Author). 16 refs., 15 figs., 7 tabs.

  6. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: I. Transitions in the one-phase liquid region.

    Science.gov (United States)

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    The phase field theory (PFT) has been applied to predict equilibrium interfacial properties and nucleation barrier in the binary eutectic system Ag-Cu using double well and interpolation functions deduced from a Ginzburg-Landau expansion that considers fcc (face centered cubic) crystal symmetries. The temperature and composition dependent free energies of the liquid and solid phases are taken from CALculation of PHAse Diagrams-type calculations. The model parameters of PFT are fixed so as to recover an interface thickness of approximately 1 nm from molecular dynamics simulations and the interfacial free energies from the experimental dihedral angles available for the pure components. A nontrivial temperature and composition dependence for the equilibrium interfacial free energy is observed. Mapping the possible nucleation pathways, we find that the Ag and Cu rich critical fluctuations compete against each other in the neighborhood of the eutectic composition. The Tolman length is positive and shows a maximum as a function of undercooling. The PFT predictions for the critical undercooling are found to be consistent with experimental results. These results support the view that heterogeneous nucleation took place in the undercooling experiments available at present. We also present calculations using the classical droplet model [classical nucleation theory (CNT)] and a phenomenological diffuse interface theory (DIT). While the predictions of the CNT with a purely entropic interfacial free energy underestimate the critical undercooling, the DIT results appear to be in a reasonable agreement with the PFT predictions.

  7. The FCC: A Research Tool.

    Science.gov (United States)

    Wilson, Paul

    The numerous forms filed with the Federal Communications Commission (FCC) provide information about a variety of topics. Basic licensing information that is available concerns engineering, ownership, and equal employment opportunity. The FCC's broadcast bureau collects information about programing, the ascertainment of community needs, public…

  8. FCC Official Brochure - German version

    CERN Multimedia

    Charitos, Panagiotis

    2017-01-01

    The FCC brochure describes the main scope of the study and give more information about the main scenarios explored under the study. It also highlights the ongoing R&D efforts launched by the FCC study. Finally, it offers more information about the collaboration and a list of useful contact details.

  9. FCC Official Brochure - French Version

    CERN Multimedia

    Charitos, Panagiotis

    2017-01-01

    The FCC brochure describes the main scope of the study and give more information about the main scenarios explored under the study. It also highlights the ongoing R&D efforts launched by the FCC study. Finally, it offers more information about the collaboration and a list of useful contact details.

  10. A Central Composite Face-Centered Design for Parameters Estimation of PEM Fuel Cell Electrochemical Model

    OpenAIRE

    Khaled MAMMAR; CHAKER, Abdelkader

    2013-01-01

    In this paper, a new approach based on Experimental of design methodology (DoE) is used to estimate the optimal of unknown model parameters proton exchange membrane fuel cell (PEMFC). This proposed approach combines the central composite face-centered (CCF) and numerical PEMFC electrochemical. Simulation results obtained using electrochemical model help to predict the cell voltage in terms of inlet partial pressures of hydrogen and oxygen, stack temperature, and operating current. The value o...

  11. 47 CFR 2.926 - FCC identifier.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC identifier. 2.926 Section 2.926... Authorizations § 2.926 FCC identifier. (a) A grant of equipment authorization issued by the Commission will list the validated FCC Identifier consisting of the grantee code assigned by the FCC pursuant to...

  12. Possible form of multi-polar interaction in cubic lattice

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Osamu; Shiina, Ryousuke; Shiba, Hiroyuki

    2003-05-01

    The invariant form of interaction between multi-poles, including the octupole, is studied for the simple cubic (SC), body centered and face centered cubic lattices. The coupling terms can be arranged in a way similar to that of the hopping matrix between the LCAO's. A table for SC by Shiina et al. (J. Phys. Soc. Japan 66 (1997) 1741) is generalized for the general wave number case of the three types of lattice. Recent experimental result of TmTe is thereby analyzed. The development of the ferromagnetic moment below the anti-ferromagnetic transition under the anti-ferro quadrupolar order phase is discussed in this connection.

  13. Possible form of multi-polar interaction in cubic lattice

    Science.gov (United States)

    Sakai, Osamu; Shiina, Ryousuke; Shiba, Hiroyuki

    2003-05-01

    The invariant form of interaction between multi-poles, including the octupole, is studied for the simple cubic (SC), body centered and face centered cubic lattices. The coupling terms can be arranged in a way similar to that of the hopping matrix between the LCAO's. A table for SC by Shiina et al. (J. Phys. Soc. Japan 66 (1997) 1741) is generalized for the general wave number case of the three types of lattice. Recent experimental result of TmTe is thereby analyzed. The development of the ferromagnetic moment below the anti-ferromagnetic transition under the anti-ferro quadrupolar order phase is discussed in this connection.

  14. Influence of Soda Pulping Variables on Properties of Pineapple (Ananas comosus Merr. Leaf Pulp and Paper Studied by Face-Centered Composite Experimental Design

    Directory of Open Access Journals (Sweden)

    Jantharat Wutisatwongkul

    2016-01-01

    Full Text Available Face-centered composite design (FCC was used to study the effect of pulping variables: soda concentration (4-5 wt%, temperature (90–130°C, and pulping time (20–60 min on the properties of pineapple leaf pulp and paper employing soda pulping. Studied pulp responses were screened yield and lignin content (kappa number. Paper properties, which include tensile index, burst index, and tear index, were also investigated. Effects of the pulping variables on the properties were statistically analyzed using Minitab 16. The optimum conditions to obtain the maximum tensile index were soda concentration of 4 wt%, pulping temperature of 105°C, and pulping time of 20 min. The predicted optimum conditions provided tensile index, burst index, tear index, screened yield, and kappa number of 44.13 kN·m/kg, 1.76 kPa·m2, 1.68 N·m2/kg, 21.29 wt%, and 28.12, respectively, and were experimentally confirmed.

  15. FCC 5 and FCC 6 (3/4)

    CERN Document Server

    CERN. Geneva; Schulte, Daniel

    2016-01-01

    Abstract: The electron-positron collider, FCC-ee, should provide collisions over a wide range of beam energies, ranging from roughly 35 GeV to almost 200 GeV. The physics goals of the FCC-ee collider call for luminosities around 1e36 cm-2s-1 per interaction point at the Z pole and several 1e34 cm-2s-1 at the ZH production peak. The beam energy should be pushed above 175 GeV, with a total synchrotron-radiation power not exceeding 100 MW. The extremely high luminosities and resulting short beam lifetime, due to radiative Bhabha scattering, can be sustained by top-up injection. The FCC-ee acce...

  16. Lattice Dynamics of fcc Ca

    DEFF Research Database (Denmark)

    Stassis, C.; Zaretsky, J.; Misemer, D. K.;;

    1983-01-01

    to the propagation of elastic waves. The frequencies of the T1[ξξ0] branch for ξ between approximately 0.5 and 0.8 are slightly above the velocity-of-sound line determined from the low-frequency measurements. Since a similar effect has been observed in FCC Yb, it is natural to assume that the anomalous dispersion......A large single crystal of FCC Ca was grown and was used to study the lattice dynamics of this divalent metal by coherent inelastic neutron scattering. The phonon dispersion curves were measured, at room temperature, along the [ξ00], [ξξ0], [ξξξ], and [0ξ1] symmetry directions. The dispersion curves...... bear a striking resemblance to those of FCC Yb, which is also a divalent metal with an electronic band structure similar to that of Ca. In particular, the shear moduli c44 and (c11-c 12)/2 differ by a factor of 3.4, which implies that FCC Ca (like FCC Yb) is very anisotropic with regard...

  17. Ab initio lattice stability of fcc and hcp Fe-Mn random alloys.

    Science.gov (United States)

    Gebhardt, T; Music, D; Hallstedt, B; Ekholm, M; Abrikosov, I A; Vitos, L; Schneider, J M

    2010-07-28

    We have studied the lattice stability of face centred cubic (fcc) versus hexagonal close packed (hcp) Fe-Mn random alloys using ab initio calculations. In the calculations we considered the antiferromagnetic order of local moments, which for fcc alloys models the magnetic configuration of this phase at room temperature (below its Néel temperature) as well as their complete disorder, corresponding to paramagnetic fcc and hcp alloys. For both cases, the results are consistent with our thermodynamic calculations, obtained within the Calphad approach. For the room temperature magnetic configuration, the cross-over of the total energies of the hcp phase and the fcc phase of Fe-Mn alloys is at the expected Mn content, whereas for the magnetic configuration above the fcc Néel temperature, the hcp lattice is more stable within the whole composition range studied. The increase of the total energy difference between hcp and antiferromagnetic fcc due to additions of Mn as well as the stabilizing effect of antiferromagnetic ordering on the fcc phase are well displayed. These results are of relevance for understanding the deformation mechanisms of these random alloys.

  18. A Central Composite Face-Centered Design for Parameters Estimation of PEM Fuel Cell Electrochemical Model

    Directory of Open Access Journals (Sweden)

    Khaled MAMMAR

    2013-11-01

    Full Text Available In this paper, a new approach based on Experimental of design methodology (DoE is used to estimate the optimal of unknown model parameters proton exchange membrane fuel cell (PEMFC. This proposed approach combines the central composite face-centered (CCF and numerical PEMFC electrochemical. Simulation results obtained using electrochemical model help to predict the cell voltage in terms of inlet partial pressures of hydrogen and oxygen, stack temperature, and operating current. The value of the previous model and (CCF design methodology is used for parametric analysis of electrochemical model. Thus it is possible to evaluate the relative importance of each parameter to the simulation accuracy. However this methodology is able to define the exact values of the parameters from the manufacture data. It was tested for the BCS 500-W stack PEM Generator, a stack rated at 500 W, manufactured by American Company BCS Technologies FC.

  19. New developments in FCC catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, C.P. [BASF Corporation, Iselin, NJ (United States)

    2011-07-01

    Fluid catalytic cracking (FCC) unit is one of the primary boiling point reduction units in the refinery that converts longer chain crude oil to useful products such as distillate, gasoline and LPG. As the quality of feedstock deteriorates, while specifications on the product side are becoming more and more stringent, the FCC unit is being severely challenged. Over the past few years BASF has introduced two new platform technologies that will assist in this challenge. This paper will present an overview of those platforms and also provide a brief update on the research underway to mitigate the current REO crisis. (orig.)

  20. FCC-ee: Energy calibration

    CERN Document Server

    Koratzinos, M; Gianfelice-Wendt, E; Zimmermann, F

    2015-01-01

    The FCC-ee aims to improve on electroweak precision measurements, with goals of 100 keV on the Z mass and width, and a fraction of MeV on the W mass. Compared to LEP, this implies a much improved knowledge of the centre-of-mass energy when operating at the Z peak and WW threshold. This can be achieved by making systematic use of resonant depolarization. A number of issues have been identified, due in particular to the long polarization times. However the smaller emittance and energy spread of FCC-ee with respect to LEP should help achieve a much improved performance.

  1. FCC-ee: Energy Calibration

    Energy Technology Data Exchange (ETDEWEB)

    Koratzinos, M. [Univ. of Geneva (Switzerland); Blondel, A. [Univ. of Geneva (Switzerland); Gianfelice-Wendt, E. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Zimmermann, F. [European Organization for Nuclear Research (CERN), Geneva (Switzerland)

    2015-06-02

    The FCC-ee aims to improve on electroweak precision measurements, with goals of 100 ke V on the Z mass and width, and a fraction of MeV on the W mass. Compared to LEP, this implies a much improved knowledge of the center-of-mass energy when operating at the Z peak and WW threshold. This can be achieved by making systematic use of resonant depolarization. A number of issues have been identified, due in particular to the long polarization times. However the smaller emittance and energy spread of FCC-ee with respect to LEP should help achieve a much improved performance.

  2. FCC 3 and FCC 4 (2/4)

    CERN Document Server

    CERN. Geneva; Dam, Mogens

    2016-01-01

    Abstract: Owing to its specific interaction region design, the FCC-ee will be able to deliver unprecedented luminosities at centre-of-mass energies ranging from below the Z pole to the ttbar threshold and above. Operation at four energy regimes - at the Z pole, at the WW threshold, at 240 GeV for Higgs production, and at the ttbar thre...

  3. Cubic to tetragonal crystal lattice reconstruction during ordering or decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Cheong, Byung-kl [Carnegie-Mellon Univ., Pittsburgh, PA (United States). Dept. of Materials Science and Engineering

    1992-09-01

    This thesis studied thermodynamic stability and morphology of product phases in diffusional phase transformations involving cubic-to-tetragonal crystal lattice reconstructions. Two different kinds of diffusional transformations were examined: L1{sub 0} ordering (fcc to fct lattice change) and decomposition of off-stoichiometric B2 ordering alloys accompanying bcc to fcc Bain transformation. In the first case, Fe-45 at.% Pd alloys were studied by TEM; in the second, the Bain strain relaxation during decomposition of hyper-eutectoid Cu-9.04 wt% Be alloy was studied. CuAu and InMg were also studied.

  4. FCC and the Sunshine Act.

    Science.gov (United States)

    Weiss, Kenneth

    The Sunshine Act, designed to encourage open meetings to increase public understanding of the governmental decision-making process, went into effect in March 1977. A total of 50 agencies, including the Federal Communications Commission (FCC), are subject to the provisions of the Sunshine Act. The act lists 10 exemptions, any of which can result in…

  5. Radiation damage in fcc metals

    NARCIS (Netherlands)

    Lindgreen, Ronald Julius Theodorus

    1984-01-01

    In dit proefschrift worden de structuurveranderingen ten gevolge van stralingsschade behandeld, in het bijzonder schade ontstaan door implantatie van zware deeltjes in fcc metalen. Gedetailleerde kennis van deze structuurveranderingen is van belang gezien de grote en soms gunstige invloed hiervan op

  6. Comparison of Dust Lattice Waves in Three-Dimensional Cubic Configurations

    Institute of Scientific and Technical Information of China (English)

    B. Farokhi; A. Hameditabar

    2012-01-01

    A three-dimensional (3D) dusty plasma crystalline with cubic configurations is considered. We calculate the interaction between particles up to distance √2a, implying the second-neighbor interactions for the simple cubic structure, the third-neighbor interactions for the body-centered cubic structure, and the forth-neighbor interactions the for face-centered cubic structure. Longitudinal and transverse dispersion relations are derived in arbitrary directions. The dispersion relations are studied in special directions, I.e. (1,0,0), (l,l,0)/√2, and (1,1, l)/√3- Study of dispersion relations with more neighbor interactions show that in some cases the results change physically.%A three-dimensional (3D) dusty plasma crystalline with cubic configurations is considered.We calculate the interaction between particles up to distance (√2)a,implying the second-neighbor interactions for the simple cubic structure,the third-neighbor interactions for the body-centered cubic structure,and the forth-neighbor interactions the for face-centered cubic structure.Longitudinal and transverse dispersion relations are derived in arbitrary directions.The dispersion relations are studied in special directions,i.e.(1,0,0),(1,1,0)/(√2),and (1,1,1)/(√3).Study of dispersion relations with more neighbor interactions show that in some cases the results change physically.

  7. THE DEVELOPMENT OF FCC STRIPPING TECHNOLOGY

    Institute of Scientific and Technical Information of China (English)

    ZHANGZhen-qian

    2003-01-01

    This article briefly describes the major patents domestic and the abroad,and the current situation and achievements of FCC stripping technology in China.The develping trend of FCC stripping technology is presented,including further developments of FCC stripper to improve unit performance,combination of the stripper and pre-stripper within disengager to from a complete high-efficiency FCC stripping system.In addition to high efficiency,simple structure and easiness of installation and maintenance for a new FCC stripper are all of consideration.

  8. Micromagnetic simulations of interacting dipoles on an fcc lattice: application to nanoparticle assemblies.

    Science.gov (United States)

    Plumer, M L; van Lierop, J; Southern, B W; Whitehead, J P

    2010-07-28

    Micromagnetic simulations are used to examine the effects of cubic and axial anisotropy, magnetostatic interactions and temperature on M-H loops for a collection of magnetic dipoles on fcc and sc lattices. We employ a simple model of interacting dipoles that represent single-domain particles in an attempt to explain recent experimental data on ordered arrays of magnetoferritin nanoparticles that demonstrate the crucial role of interactions between particles in an fcc lattice. Significant agreement between the simulation and experimental results is achieved, and the impact of intra-particle degrees of freedom and surface effects on thermal fluctuations is investigated.

  9. Spontaneous Enhancement of Packing Regularity of Spherical Microdomains in the Body-Centered Cubic Lattice upon Uniaxial Stretching of Elastomeric Triblock Copolymers

    Directory of Open Access Journals (Sweden)

    Shinichi Sakurai

    2010-12-01

    Full Text Available Block copolymers forming glassy spheres in the matrix of rubbery chains can exhibit elastomeric properties. It is well known that the spherical microdomains are arranged in the body-center cubic (bcc lattice. However, recently, we have found packing in the face-centered cubic (fcc lattice, which is easily transformed into the bcc lattice upon uniaxial stretching. In the same time, the packing regularity of the spheres in the bcc lattice was found to be enhanced for samples completely recovered from the stretched state. This reminds us that a cycle of stretching-and-releasing plays an important role from analogy of densification of the packing in granules upon shaking. In the current paper, we quantify the enhancement of packing regularity of spherical microdomains in the bcc lattice upon uniaxial stretching of the same elastomeric triblock copolymer as used in our previous work by conducting small-angle X-ray scattering (SAXS measurements using high brilliant synchrotron radiation. Isotropically circular rings of the lattice peaks observed for the unstretched sample turned into deformed ellipsoidal rings upon the uniaxial stretching, with sharpening of the peaks in the direction parallel to the stretching direction and almost disappearing of the peaks in the perpendicular direction. By quantitatively analyzing the SAXS results, it was found that the packing regularity of the spherical microdomains was enhanced in the parallel direction while it was spoiled in the perpendicular direction under the stretched state. The enhanced regularity of packing was unchanged even if the stretching load was completely removed.

  10. Bond-order potential for magnetic body-centered-cubic iron and its transferability

    Science.gov (United States)

    Lin, Yi-Shen; Mrovec, M.; Vitek, V.

    2016-06-01

    We derived and thoroughly tested a bond-order potential (BOP) for body-centered-cubic (bcc) magnetic iron that can be employed in atomistic calculations of a broad variety of crystal defects that control structural, mechanical, and thermodynamic properties of this technologically important metal. The constructed BOP reflects correctly the mixed nearly free electron and covalent bonding arising from the partially filled d band as well as the ferromagnetism that is actually responsible for the stability of the bcc structure of iron at low temperatures. The covalent part of the cohesive energy is determined within the tight-binding bond model with the Green's function of the Schrödinger equation determined using the method of continued fractions terminated at a sufficient level of the moments of the density of states. This makes the BOP an O (N ) method usable for very large numbers of particles. Only d d bonds are included explicitly, but the effect of s electrons on the covalent energy is included via their screening of the corresponding d d bonds. The magnetic part of the cohesive energy is included using the Stoner model of itinerant magnetism. The repulsive part of the cohesive energy is represented, as in any tight-binding scheme, by an empirical formula. Its functional form is physically justified by studies of the repulsion in face-centered-cubic (fcc) solid argon under very high pressure where the repulsion originates from overlapping s and p closed-shell electrons just as it does from closed-shell s electrons in transition metals squeezed into the ion core under the influence of the large covalent d bonding. Testing of the transferability of the developed BOP to environments significantly different from those of the ideal bcc lattice was carried out by studying crystal structures and magnetic states alternative to the ferromagnetic bcc lattice, vacancies, divacancies, self-interstitial atoms (SIAs), paths continuously transforming the bcc structure to

  11. Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale.

    Science.gov (United States)

    Liu, Xiaojie; Wang, Cai-Zhuang; Hupalo, Myron; Ho, Kai-Ming; Thiel, Patricia A; Tringides, Michael C

    2016-11-16

    Using first-principles calculations we show that face-centered cubic Dy(111) ultrathin films exhibit height selective stability. The origin of such height selection can be attributed to the interplay between the localized surface states and surface resonance states due to electron confinement effects. Such effect could be utilized to manipulate the film thickness at the atomic level to achieve desirable film properties or to control the growth of nanostructures on the thin film for various applications.

  12. 47 CFR 73.878 - Station inspections by FCC; availability to FCC of station logs and records.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Station inspections by FCC; availability to FCC... (LPFM) § 73.878 Station inspections by FCC; availability to FCC of station logs and records. (a) The... FCC during the station's business hours, and at any time it is in operation. In the course of...

  13. Electron work function and surface energy of body-centered and face-centered cubic modifications of 4 d- and 5 d-metals

    Science.gov (United States)

    Aref'eva, L. P.; Shebzukhova, I. G.

    2016-07-01

    A technique for the evaluation of the electron work function of metallic single crystals and the electron work function anisotropy has been developed in the framework of the electron-statistical method. The surface energy and the electron work function have been calculated for crystal faces of allotropic modifications of 4 d- and 5 d-metals. A change in the electron work function due to the allotropic transformations has been estimated, and the periodic dependence of the electron work function has been determined. It has been shown that the results obtained using the proposed technique correlate with the available experimental data for polycrystals.

  14. Atomistic simulation of point defects in face centered cubic metals using MAEAM potential%面心立方金属中点缺陷的MAEAM模拟

    Institute of Scientific and Technical Information of China (English)

    宋祥磊; 张晓军; 张建民; 徐可为

    2005-01-01

    From the system energy minimization, the stable configuration and the rule of migration of mono-vacancy, di-vacancy and a single self-interstitial atom are analyzed using the modified analytical embedded atom method (MAEAM) combined with the molecular dynamics simulation in Al, Ni, Cu,Ag, Au and Pb. The results show that only the first-nearest neighbor di-vacancy is the stable configuration of di-vacancy. Compared with the mono-vacancy, the first-nearest neighbor di-vacancy is Ni, Cu, Ag and Au, but the body-centered configuration is favorable in Al and Pb. However compared with mono-vacancy, the single self-interstitial atom is also difficult to form.%将改进分析型嵌入原子法(MAEAM)模型与分子动力学模拟方法相结合,用能量最小化原理分析了面心立方金属Al、Ni、Cu、Ag、Au和Pb中的单空位、双空位及单自间隙原子3种点缺陷的稳定构型及其迁移规律.结果表明:最近邻双空位是双空位中惟一能够存在的构型,而且比单空位还容易迁移;尽管在4种构型的自间隙原子中,〈110〉哑铃状自间隙构型容易在Ni、Cu、Ag和Au中形成,体心自间隙构型也容易在Al和Pb中形成,但和单空位相比较还是较难形成的.

  15. The FCC and the Electric Church.

    Science.gov (United States)

    Abrams, Michael F.

    This newsletter focuses on the relationship between the Federal Communications Commission (FCC) and religious broadcasters. It traces the history of that relationship and discusses some of the pressures put on both. It includes a discussion of a recent avalanche of mail at the FCC supporting the church on the airways. It also summarizes some of…

  16. 47 CFR 2.936 - FCC inspection.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC inspection. 2.936 Section 2.936 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL... Authorization § 2.936 FCC inspection. Upon reasonable request, each responsible party shall submit the...

  17. Cubic ideal ferromagnets at low temperature and weak magnetic field

    Science.gov (United States)

    Hofmann, Christoph P.

    2017-04-01

    The low-temperature series for the free energy density, pressure, magnetization and susceptibility of cubic ideal ferromagnets in weak external magnetic fields are discussed within the effective Lagrangian framework up to three loops. The structure of the simple, body-centered, and face-centered cubic lattice is taken into account explicitly. The expansion involves integer and half-integer powers of the temperature. The corresponding coefficients depend on the magnetic field and on low-energy effective constants that can be expressed in terms of microscopic quantities. Our formulas may also serve as efficiency or consistency check for other techniques like Green's function methods, where spurious terms in the low-temperature expansion have appeared. We explore the sign and magnitude of the spin-wave interaction in the pressure, magnetization and susceptibility, and emphasize that our effective field theory approach is fully systematic and rigorous.

  18. Cubic Subalgebras and Cubic Closed Ideals of B-algebras

    Directory of Open Access Journals (Sweden)

    Tapan Senapati

    2015-06-01

    Full Text Available In this paper, the concept of cubic set to subalgebras, ideals and closed ideals of B-algebras are introduced. Relations among cubic subalgebras with cubic ideals and cubic closed ideals of B-algebras investigated. The homomorphic image and inverse image of cubic subalgebras, ideals are studied and some related properties are investigated. Also, the product of cubic B-algebras are investigated.

  19. Study on Commercial Application of FCC with Auxiliary Gasoline Reactor for Improving FCC Naphtha Quality

    Institute of Scientific and Technical Information of China (English)

    Wei Qiang

    2007-01-01

    This article introduces the commercial application of FCC technology equipped with a gasoline auxiliary reactor in the RFCC unit at PetroChina Harbin Petrochemical Branch Company.Test results have shown the excellent outcome for commercial application of the gasoline upgrading in the auxiliary reactor to reduce the olefin content in FCC naphtha.Application of this technology can reduce the olefin content in FCC naphtha to less than 35v%.Adjustment of the FCC operation towards more severg conditions can further reduce the olefin content in FCC naphtha to less than 20 v%.so that the FCC naphtha can meet the current standard or meet more stringent specification requirements in the future to achieve compelling economic and social benefits.

  20. 47 CFR 1.8001 - FCC Registration Number (FRN).

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC Registration Number (FRN). 1.8001 Section 1.8001 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRACTICE AND PROCEDURE FCC Registration Number § 1.8001 FCC Registration Number (FRN). (a) The FCC Registration Number (FRN) is a...

  1. 47 CFR 80.417 - FCC Rules and Regulations.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false FCC Rules and Regulations. 80.417 Section 80... STATIONS IN THE MARITIME SERVICES Station Documents § 80.417 FCC Rules and Regulations. The Commission's... available on the Commission's web site at www.fcc.gov or ftp.fcc.gov....

  2. Discussions on the Feasibility of Using FCC Offgas for Atomization of FCC Feed

    Institute of Scientific and Technical Information of China (English)

    Cao Dongxue

    2005-01-01

    The consumption of steam as a traditional means for feedstock atomization accounts for a relatively large share in the process energy use and makes up the main part of sulfur containing wastewater. This article on the basis of comprehensive analysis puts forward a proposition on using the FCC offgas as the medium for atomizing the FCC feed, which would play a realistic role for energy conservation and environmental protection of FCC process.

  3. Military and aerospace applications of FCC

    Science.gov (United States)

    Swanson, C.

    1972-01-01

    Military and NASA programs are discussed in which FCC were used. Included are Saturn 4, Pegasus satellites solar, array for Skylab orbital workshop, Poseidon missiles, MK 48 torpedo fire control, and Lunar Surveyor.

  4. Beam dynamics issues in the FCC

    CERN Document Server

    AUTHOR|(CDS)2067437; Benedikt, Michael; Besana, Maria Ilaria; Bruce, Roderik; Bruning, Oliver; Buffat, Xavier; Burkart, Florian; Burkhardt, Helmut; Calatroni, Sergio; Cerutti, Francesco; Fartoukh, Stephane; Fiascaris, Maria; Garion, Cedric; Goddard, Brennan; Hofle, Wolfgang; Holzer, Bernhard; Jowett, John; Kersevan, Roberto; Martin, Roman; Mether, Lotta Maria; Milanese, Attilio; Pieloni, Tatiana; Redaelli, Stefano; Rumolo, Giovanni; Salvant, Benoit; Schaumann, Michaela; Schulte, Daniel; Chapochnikova, Elena; Stoel, Linda; Tambasco, Claudia; Tomas Garcia, Rogelio; Tommasini, Davide; Zimmermann, Frank; Guillermo Canton, Gerardo; Kornilov, Vladimir; Boine-Frankenheim, Oliver; Niedermayer, Uwe; Mitsuhashi, Toshiyuki; Ohmi, Kazuhito; Chance, Antoine; Dalena, Barbara; Payet, Jacques; Bambade, Philip; Faus-Golfe, Angeles; Molson, James; Biarrotte, Jean-Luc; Lachaize, Antoine; Fox, John D; Stupakov, Gennady; Abelleira, Jose; Cruz Alaniz, Emilia; Seryi, Andrei; Appleby, Robert Barrie; Boscolo, Manuela; Collamati, Francesco; Drago, Alessandro; Barranco Garcia, Javier; Khan, Shaukat; Riemann, Bernhard

    2016-01-01

    The international Future Circular Collider (FCC) study is designing hadron, lepton and lepton-hadron colliders based on a new 100 km tunnel in the Geneva region. The main focus and ultimate goal of the study are high luminosity proton-proton collisions at a centre-of-mass energy of 100 TeV, using 16 T Nb3Sn dipole magnets. Specific FCC beam dynamics issues are related to the large circumference, the high brightness—made available by radiation damping —, the small geometric emittance, unprecedented collision energy and luminosity, the huge amount of energy stored in the beam, large synchrotron radiation power, plus the injection scenarios. In addition to the FCC-hh proper, also a High-Energy LHC (HE-LHC) is being explored, using the FCC-hh magnet technology in the existing LHC tunnel, which can yield a centre-of-mass energy around 25 TeV.

  5. 78 FR 66357 - Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions

    Science.gov (United States)

    2013-11-05

    ... COMMISSION Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions AGENCY: Federal... annual Telecommunications Reporting Worksheet, FCC Form 499-A (Form 499-A) and accompanying instructions... Telecommunications Reporting Worksheet, FCC Form 499-Q (Form 499-Q) and accompanying instructions (Form...

  6. 78 FR 69415 - Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions.

    Science.gov (United States)

    2013-11-19

    ... COMMISSION Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions. AGENCY: Federal... to (1) the annual Telecommunications Reporting Worksheet, FCC Form 499-A (Form 499-A) and... quarterly Telecommunications Reporting Worksheet, FCC Form 499-Q (Form 499-Q) and accompanying...

  7. Ferromagnetic properties of fcc Gd thin films

    Energy Technology Data Exchange (ETDEWEB)

    Bertelli, T. P., E-mail: tambauh@gmail.com; Passamani, E. C.; Larica, C.; Nascimento, V. P.; Takeuchi, A. Y. [Universidade Federal do Espírito Santo, Departamento de Física, Vitória/ES 29075-910 (Brazil); Pessoa, M. S. [Universidade Federal do Espírito Santo, Departamento de Ciências Naturais, São Mateus/ES 29932-540 (Brazil)

    2015-05-28

    Magnetic properties of sputtered Gd thin films grown on Si (100) substrates kept at two different temperatures were investigated using X-ray diffraction, ac magnetic susceptibility, and dc magnetization measurements. The obtained Gd thin films have a mixture of hcp and fcc structures, but with their fractions depending on the substrate temperature T{sub S} and film thickness x. Gd fcc samples were obtained when T{sub S} = 763 K and x = 10 nm, while the hcp structure was stabilized for lower T{sub S} (300 K) and thicker film (20 nm). The fcc structure is formed on the Ta buffer layer, while the hcp phase grows on the fcc Gd layer as a consequence of the lattice relaxation process. Spin reorientation phenomenon, commonly found in bulk Gd species, was also observed in the hcp Gd thin film. This phenomenon is assumed to cause the magnetization anomalous increase observed below 50 K in stressed Gd films. Magnetic properties of fcc Gd thin films are: Curie temperature above 300 K, saturation magnetization value of about 175 emu/cm{sup 3}, and coercive field of about 100 Oe at 300 K; features that allow us to classify Gd thin films, with fcc structure, as a soft ferromagnetic material.

  8. The effects of next-to-nearest-neighbour hopping on Bose–Einstein condensation in cubic lattices

    Indian Academy of Sciences (India)

    G K Chaudhary; R Ramakumar

    2010-01-01

    In this paper, we present results of our calculations on the effects of next-to-nearest-neighbour boson hopping (′) energy on Bose–Einstein condensation in cubic lattices. We consider both non-interacting and repulsively interacting bosons moving in the lowest Bloch band. The interacting bosons are studied using Bogoliubov method. We find that the Bose condensation temperature is enhanced by increasing ′ for bosons in a simple cubic (sc) lattice and decreases for bosons in body-centred cubic (bcc) and face-centred cubic (fcc) lattices. We also find that interaction-induced depletion of the condensate is reduced for bosons in an sc lattice while it is enhanced for bosons in bcc and fcc lattices.

  9. Einsteinian cubic gravity

    Science.gov (United States)

    Bueno, Pablo; Cano, Pablo A.

    2016-11-01

    We drastically simplify the problem of linearizing a general higher-order theory of gravity. We reduce it to the evaluation of its Lagrangian on a particular Riemann tensor depending on two parameters, and the computation of two derivatives with respect to one of those parameters. We use our method to construct a D -dimensional cubic theory of gravity which satisfies the following properties: (1) it shares the spectrum of Einstein gravity, i.e., it only propagates a transverse and massless graviton on a maximally symmetric background; (2) it is defined in the same way in general dimensions; (3) it is neither trivial nor topological in four dimensions. Up to cubic order in curvature, the only previously known theories satisfying the first two requirements are the Lovelock ones. We show that, up to cubic order, there exists only one additional theory satisfying requirements (1) and (2). Interestingly, this theory is, along with Einstein gravity, the only one which also satisfies (3).

  10. The influence of additions of Al and Si on the lattice stability of fcc and hcp Fe-Mn random alloys.

    Science.gov (United States)

    Gebhardt, T; Music, D; Ekholm, M; Abrikosov, I A; Vitos, L; Dick, A; Hickel, T; Neugebauer, J; Schneider, J M

    2011-06-22

    We have studied the influence of additions of Al and Si on the lattice stability of face-centred-cubic (fcc) versus hexagonal-closed-packed (hcp) Fe-Mn random alloys, considering the influence of magnetism below and above the fcc Néel temperature. Employing two different ab initio approaches with respect to basis sets and treatment of magnetic and chemical disorder, we are able to quantify the predictive power of the ab initio methods. We find that the addition of Al strongly stabilizes the fcc lattice independent of the regarded magnetic states. For Si a much stronger dependence on magnetism is observed. Compared to Al, almost no volume change is observed as Si is added to Fe-Mn, indicating that the electronic contributions are responsible for stabilization/destabilization of the fcc phase.

  11. The Methods to Draw the First Brillouin Zone for Face-centered Cubic and Body-centered Cubic Lattice%面心立方、体心立方晶格第一布里渊区的画法

    Institute of Scientific and Technical Information of China (English)

    黄宝歆

    2016-01-01

    本文通过先分解再组合的方法给出面心立方和体心立方晶格第一布里渊区的立体结构,即先确定出一个1/8倒格子晶胞空间对应的第一布里渊区,再将其与另外7个小倒格子晶胞的第一布里渊区空间进行组合,最终标识出完整的第一布里渊区结构.分别计算了其体积的大小,为同学们学习相关知识提供一个借鉴.

  12. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald;

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning with co...

  13. Photocatalytic Denitrogenation over Modiifed Waste FCC Catalyst

    Institute of Scientific and Technical Information of China (English)

    Zheng Liuping; Lin Mei; Huang Yingying; Yan Guiyang; Zheng Binquan; Li Ling

    2013-01-01

    The strontium modiifed waste FCC catalyst was prepared by magnetic stirring method and characterized by X-ray diffractometry (XRD), UV-Vis diffuse relfectance spectrometry (DRS), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). Meanwhile, its photocatalytic denitrogenation performance was evaluated in terms of its ability to degrade the N-containing simulation oil under visible light. A mixture of strontium nitrate solution (with a concentration of 0.5 mol/L) and waste FCC catalyst was calcined at 400℃for 5 h prior to taking part in the photocatalytic denitrogenation reaction. The test results showed that the photocatalytic degradation rate of pyridine contained in simulation oil in the presence of the strontium modiifed FCC catalyst could reach 92.0%under visible light irradiation for 2.5 h.

  14. Luminosity Targets for FCC-hh

    CERN Document Server

    Zimmermann, F.; Buffat, X.; Schulte, D.

    2016-01-01

    We discuss the choice of target values for the peak and integrated luminosity of a future high-energy frontier circular hadron collider (FCC-hh). We review the arguments on the physics reach of a hadron collider. Next we show that accelerator constraints will limit the beam current and the turnaround time. Taking these limits into account, we derive an expression for the ultimate integrated luminosity per year, depending on a possible pile-up limit imposed by the physics experiments. We finally benchmark our result against the planned two phases of FCC-hh [1, 2, 3

  15. Status and Challenges for FCC-ee

    CERN Document Server

    Benedikt, Michael; Zimmermann, Frank; Bogomyagkov, Anton; Levichev, Eugene; Migliorati, Mauro; Wienands, Uli

    2015-01-01

    We report the design status and beam dynamics challenges for the electron-positron branch of the Future Circular Collider (FCC) study, as of August 2015. After recalling motivation and physics requirements for the FCC-ee, we briefly discuss configurations and parameters, collider layout, the superconducting RF system, possible staging scenarios, final-focus optics, interaction-region (IR) issues, machine detector interface and IR synchrotron radiation, dynamic aperture, beam-beam effects, top-up injection, mono-chromatization option, impedances, instabilities, energy calibration and polarization, and SuperKEKB as a key demonstrator, before presenting conclusions and outlook.

  16. Packing of crystalline structures of binary hard spheres: An analytical approach and application to amorphization

    NARCIS (Netherlands)

    Brouwers, H.J.H.

    2007-01-01

    The geometrical stability of the three lattices of the cubic crystal system, viz. face-centered cubic (fcc), body-centered cubic (bcc), and simple cubic (sc), consisting of bimodal discrete hard spheres, and the transition to amorphous packing is studied. First, the random close packing (rcp) fracti

  17. Packing of crystalline structures of binary hard spheres: an analytical approach and application to amorphisation

    NARCIS (Netherlands)

    Brouwers, Jos

    2007-01-01

    The geometrical stability of the three lattices of the cubic crystal system, viz. face-centered cubic (fcc), body-centered cubic (bcc), and simple cubic (sc), consisting of bimodal discrete hard spheres, and the transition to amorphous packing is studied. First, the random close packing (rcp)

  18. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald;

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type-checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...... terms. CTT provides a computational interpretation of functional extensionality, is conjectured to have decidable type checking, and has an implemented type-checker. Our new type theory, called guarded cubical type theory, provides a computational interpretation of extensionality for guarded recursive...

  19. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald;

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...... terms. CTT provides a computational interpretation of functional extensionality, enjoys canonicity for the natural numbers type, and is conjectured to support decidable type-checking. Our new type theory, guarded cubical type theory (GCTT), provides a computational interpretation of extensionality...

  20. Defect Studies in bcc and fcc Iron

    OpenAIRE

    Ghorai, A.; Arjun Das

    2012-01-01

    Variation of vacancy formation energy (EF1v) with rc of Ashcroft's empty core model potential (AECMP) model for different exchange and correlation functions (ECFs) show almost independent nature but slight variation with ECF for both bcc α iron and fcc γ iron.

  1. Academic Training Lectures | FCC | 2-5 February

    CERN Multimedia

    2016-01-01

    Please note that the next series of Academic Training Lectures will take place from 2 to 5 February 2016.   Tuesday, 2 February 2016 from 10.30 a.m. to 12.30 p.m. in the Filtration Plant (Building 222-R-001) FCC 1: Introduction to FCC by Michael Benedikt FCC 2: FCC Physics - Challenges and Potentials by Christophe Grojean, Michelangelo Mangano https://indico.cern.ch/event/472105/   Wednesday, 3 February 2016 from 10.30 a.m. to 12.30 p.m in the Filtration Plant (Building 222-R-001) FCC 3: FCC hh Detectors and Experiments by Werner Riegler FCC 4: Experimental Measurements and Detectors for the FCC-ee by Mogens Dam https://indico.cern.ch/event/472106/   Thursday, 4 February 2016 from 10.30 a.m. to 12.30 p.m in the Filtration Plant (Building 222-R-001) FCC 5: FCC Hadron Collider Design by Daniel Schulte FCC 6: FCC Lepton Collider Design by Frank Zimmermann https://indico...

  2. 78 FR 49126 - Modernizing the FCC Form 477 Data Program

    Science.gov (United States)

    2013-08-13

    ... COMMISSION 47 CFR Parts 0, 1, and 43 Modernizing the FCC Form 477 Data Program AGENCY: Federal Communications... Docket No. 11-10, FCC 13-87, released on June 27, 2013. The complete text of this document is available for public inspection during regular business hours in the FCC Reference Information Center, Room...

  3. 47 CFR 95.117 - Where to contact the FCC.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Where to contact the FCC. 95.117 Section 95.117... SERVICES General Mobile Radio Service (GMRS) § 95.117 Where to contact the FCC. Additional GMRS information may be obtained from any of the following sources: (a) FCC National Call Center at 1-888-225-5322....

  4. 47 CFR 73.1225 - Station inspections by FCC.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Station inspections by FCC. 73.1225 Section 73... BROADCAST SERVICES Rules Applicable to All Broadcast Stations § 73.1225 Station inspections by FCC. (a) The... FCC during the station's business hours, or at any time it is in operation. (b) In the course of...

  5. 47 CFR 74.3 - FCC inspections of stations.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false FCC inspections of stations. 74.3 Section 74.3... Services in Part 74 § 74.3 FCC inspections of stations. (a) The licensee of a station authorized under this part must make the station available for inspection by representatives of the FCC during the...

  6. 76 FR 10827 - Modernizing the FCC Form 477 Data Program

    Science.gov (United States)

    2011-02-28

    ... COMMISSION 47 CFR Parts 1, 20, and 43 Modernizing the FCC Form 477 Data Program AGENCY: Federal... submitting comments. Federal Communications Commission's Web Site: http://fjallfoss.fcc.gov/ecfs2/ . Follow the instructions for submitting comments. People with Disabilities: Contact the FCC to...

  7. 47 CFR 95.428 - (CB Rule 28) How do I contact the FCC?

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (CB Rule 28) How do I contact the FCC? 95.428... (CB Rule 28) How do I contact the FCC? (a) FCC National Call Center at 1-888-225-5322. (b) FCC World Wide Web homepage: http://www.fcc.gov. (c) In writing, to FCC, Attention: CB, 1270 Fairfield...

  8. Spin-orbit coupled jeff=1 /2 iridium moments on the geometrically frustrated fcc lattice

    Science.gov (United States)

    Cook, A. M.; Matern, S.; Hickey, C.; Aczel, A. A.; Paramekanti, A.

    2015-07-01

    Motivated by experiments on the double perovskites La2ZnIrO6 and La2MgIrO6 , we study the magnetism of spin-orbit coupled jeff=1 /2 iridium moments on the three-dimensional, geometrically frustrated, face-centered cubic lattice. The symmetry-allowed nearest-neighbor interaction includes Heisenberg, Kitaev, and symmetric off-diagonal exchange. A Luttinger-Tisza analysis shows a rich variety of orders, including collinear A -type antiferromagnetism, stripe order with moments along the {111 } direction, and incommensurate noncoplanar spirals, and we use Monte Carlo simulations to determine their magnetic ordering temperatures. We argue that existing thermodynamic data on these iridates underscores the presence of a dominant Kitaev exchange, and also suggest a resolution to the puzzle of why La2ZnIrO6 , but not La2MgIrO6 , exhibits "weak" ferromagnetism.

  9. Chemomechanical Origin of Hydrogen Trapping at Grain Boundaries in fcc Metals.

    Science.gov (United States)

    Zhou, Xiao; Marchand, Daniel; McDowell, David L; Zhu, Ting; Song, Jun

    2016-02-19

    Hydrogen embrittlement of metals is widely observed, but its atomistic origins remain little understood and much debated. Combining a unique identification of interstitial sites through polyhedral tessellation and first-principles calculations, we study hydrogen adsorption at grain boundaries in a variety of face-centered cubic metals of Ni, Cu, γ-Fe, and Pd. We discover the chemomechanical origin of the variation of adsorption energetics for interstitial hydrogen at grain boundaries. A general chemomechanical formula is established to provide accurate assessments of hydrogen trapping and segregation energetics at grain boundaries, and it also offers direct explanations for certain experimental observations. The present study deepens our mechanistic understanding of the role of grain boundaries in hydrogen embrittlement and points to a viable path towards predictive microstructure engineering against hydrogen embrittlement in structural metals.

  10. Stability and ordering properties of fcc alloys based on Rh, Ir, Pd, and Pt

    Science.gov (United States)

    Turchi, P. E. A.; Drchal, V.; Kudrnovský, J.

    2006-08-01

    Stability properties and ordering trends for the six face-centered cubic binary combinations of the four transition metals Rh, Ir, Pd, and Pt are examined in the context of electronic structure calculations. The method is based on a Green’s function description of the electronic structure of random alloys. Configurational order is treated within the generalized perturbation method. On one hand, the three alloys Pd-Rh, Pd-Ir, and Pt-Ir that have been studied experimentally are confirmed to behave like phase-separating systems. On the other hand, the other three mixtures Pd-Pt, Rh-Ir, and Pt-Rh, for which phase-separating trends have been inferred from experiments, are found to display chemical order with ordering of the (1 0 0) and (11/20) family types and a mixture of both, respectively. The origin of these results is discussed in terms of electronic structure properties.

  11. Load Deflection of Dow Corning SE 1700 Face Centered Tetragonal Direct Ink Write Materials: Effect of Thickness and Filament Spacing

    Energy Technology Data Exchange (ETDEWEB)

    Small, Ward [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pearson, Mark A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Metz, Tom R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-03-09

    Dow Corning SE 1700 (reinforced polydimethylsiloxane) porous structures were made by direct ink writing (DIW) in a face centered tetragonal (FCT) configuration. The filament diameter was 250 μm. Structures consisting of 4, 8, or 12 layers were fabricated with center-to-center filament spacing (“road width” (RW)) of 475, 500, 525, 550, or 575 μm. Three compressive load-unload cycles to 2000 kPa were performed on four separate areas of each sample; three samples of each thickness and filament spacing were tested. At a given strain during the third loading phase, stress varied inversely with porosity. At 10% strain, the stress was nearly independent of the number of layers (i.e., thickness). At higher strains (20- 40%), the stress was highest for the 4-layer structure; the 8- and 12-layer structures were nearly equivalent suggesting that the load deflection is independent of number of layers above 8 layers. Intra-and inter-sample variability of the load deflection response was higher for thinner and less porous structures.

  12. OPTIMIZATION OF ESSENTIAL OIL PRODUCTION FROM CITRUS MICROCARPA (HASSK. BUNGE BY CENTRAL COMPOSITE FACE CENTERED (CCF MODEL

    Directory of Open Access Journals (Sweden)

    Le Pham Tan Quoc

    2013-12-01

    Full Text Available The aim of this study was the investigation on main factors (the grind time, ratio of water/peel and distillation time affecting the amount of essential oil after distilling. Researching and optimizing the factors for essential oil production by laboratory – scale distillation and the yield was evaluated using the Response Surface Methodology (RSM with Central Composite Face Centered (CCF model. There is the interaction between ratio of water/peel, distillation time and grind time with volume of essential oil extracted. Optimal result which is essential oil was 1.83 ml (y with quantity of kumquat peel/batch of 50 g, grind time (x1 in 118 seconds, ratio of water/peel (x2 was 6/1, distillation time (x3 during 32 minutes at 100 oC. The essential oil from the peel of C.microcarpa (Hassk. Bunge was analysed by GC-MS method. In which, there are a lot of compounds were useful, it can use widely in the food processing and the cosmetics industry, for instance limonene, α-Pinene, β-Pinene, β-Myrcene, Sabinen.

  13. Is inner core seismic anisotropy a marker of plastic flow of cubic iron?

    CERN Document Server

    Lincot, A; Cardin, Philippe

    2015-01-01

    This paper investigates whether observations of seismic anisotropy are compatible with a cubic structure of the inner core Fe alloy. We assume that anisotropy is the result of plastic deformation within a large scale flow induced by preferred growth at the inner core equator. Based on elastic moduli from the literature, bcc- or fcc-Fe produce seismic anisotropy well below seismic observations ($\\textless{}0.4\\%$). A Monte-Carlo approach allows us to generalize this result to any form of elastic anisotropy in a cubic system. Within our model, inner core global anisotropy is not compatible with a cubic structure of Fe alloy. Hence, if the inner core material is indeed cubic, large scale coherent anisotropic structures, incompatible with plastic deformation induced by large scale flow, must be present.

  14. Effect of shear on cubic phases in gels of a diblock copolymer

    DEFF Research Database (Denmark)

    Hamley, I.W.; Pople, J.A.; Fairclough, J.P.A.;

    1998-01-01

    The effect of shear on the orientation of cubic micellar phases formed by a poly(oxyethylene)poly(oxybutylene) diblock copolymer in aqueous solution has been investigated using small-angle x-ray scattering (SAXS) and small-angle neutron scattering (SANS). SAXS was performed on samples oriented in...... to form a macroscopically oriented domain. Shear only homogenized the sample, producing a powder SAXS pattern from a fcc structure....

  15. Regeneration of Hydrotreating and FCC Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    CM Wai; JG Frye; JL Fulton; LE Bowman; LJ Silva; MA Gerber

    1999-09-30

    Hydrotreating, hydrocracking, and fluid catalytic cracking (FCC) catalysts are important components of petroleum refining processes. Hydrotreating and hydrocracking catalysts are used to improve the yield of high-quality light oil fractions from heavier crude oil and petroleum feedstocks containing high levels of impurities. FCC catalysts improve the yield of higher octane gasoline from crude oil. Residuum hydrotreating and cracking catalysts are susceptible to irreversible deactivation caused by adsorption of sulfur and by metals impurities, such as vanadium and nickel. The gradual buildup of these impurities in a hydrotreating catalyst eventually plugs the pores and deactivates it. Nickel and vanadium adversely affect the behavior of cracking catalysts, reducing product yield and quality. Replacing deactivated catalysts represents a significant cost in petroleum refining. Equally important are the costs and potential liabilities associated with treating and disposing spent catalysts. For example, recent US Environmental Protection Agency rulings have listed spent hydrotreating and hydrorefining catalysts as hazardous wastes. FCC catalysts, though more easily disposed of as road-base or as filler in asphalt and cement, are still an economic concern mainly because of the large volumes of spent catalysts generated. New processes are being considered to increase the useful life of catalysts or for meeting more stringent disposal requirements for spent catalysts containing metals. This report discusses a collaborative effort between Pacific Northwest National Laboratory (PNNL) and Phillips Petroleum, Inc., to identify promising chemical processes for removing metals adhered to spent hydrodesulfurization (HDS, a type of hydrotreating catalyst) and FCC catalysts. This study, conducted by PNNL, was funded by the US Department of Energy's Bartlesville Project Office. Fresh and spent catalysts were provided by Phillips Petroleum. The FCC catalyst was a rare

  16. BSM searches at FCC-ee

    CERN Document Server

    Tay, Jala

    2016-01-01

    The discovery of the Higgs boson in 2012 was a great triumph for the LHC. The challenge now is to study it’s properties. In order to that an FCC project was proposed, such that at the beginning it will be used for ee collisions which will be a great deal in studying the Higgs properties because of it’s clean experimental environment and high luminosity, and then will be used for pp collisions to explore physics at higher energies. Here we will show how to generate events and plot graphs which will show how is the FCC beneficial for the Higgs study. We used delphes, pythia and ROOT to generate and analyze the events.

  17. ADVANCE IN FCC TECHNOLOGY FOR RESID UPGRADING

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In order to treat residual oil in conventional FCC units, various aspects of catalyst improvement must be considered, such as how to get effective bottoms crackbility, lower selectivity of dry gas/coke or higher metals tolerance. Because residual oil contains many kinds of metals (Ni, V, Na), Conrandson carbon residue and asphaltene or basic nitrogen compunds, there are a lot of problems in FCC operation.   A new catalyst has been developed by means of modifying zeolite or matrix in our laboratory. The developed catalyst has a excellent bottoms crackbility, lower hydrogen / coke selectivity and higher metal tolerance. The features of the catalyst and the actual performance in our commercial units will be shown in this paper. The liquid product yield has been improved and the catalyst consumption has reduced.

  18. Ultrasound assisted extraction of bioactive compounds from Nephelium lappaceum L. fruit peel using central composite face centered response surface design

    Directory of Open Access Journals (Sweden)

    J. Prakash Maran

    2017-02-01

    Full Text Available In this study, four factors at three level central composite face centered design was employed to study and optimize the process variables on extraction of bioactive compounds (total anthocyanin, phenolic and flavonoid content from Nephelium lappaceum L. fruit peel. The effect of process variables such as extraction temperature (30–50 °C, power of ultrasound (20–40 W, extraction time (10–30 min and solid–liquid ratio (1:10–1:20 g/ml is studied. Multiple regression analysis was done on the experimental data to develop second-order polynomial models with high coefficient of determination value (R2 > 0.99. The optimal conditions based on both individual and combinations of all process variables (extraction temperature of 50 °C, ultrasound power of 20 W, extraction time of 20 min and solid–liquid ratio of 1:18.6 g/ml were determined by Derringer’s desired function methodology. Under these conditions, total anthocyanin (10.26 ± 0.39 (mg/100 g, phenolics (552.64 ± 1.57 (mg GAE/100 g and flavonoid (104 ± 1.13 (mg RE/100 g content values were determined and it is closely related with the predicted values (10.17 mg/100 g of total anthocyanin, 546.98 mg GAE/100 g of total phenolics and 100.93 mg RE/100 g of total flavonoid content and indicted the suitability of the developed models.

  19. Electrical Power Budget for FCC-ee

    CERN Document Server

    Aull, S.; Bozzini, D.; Brunner, O.; Burnet, J.-P.; Butterworth, A.; Calaga, R.; Jensen, E.; Mertens, V.; Milanese, A.; Nonis, M.; Oide, K.; Schwerg, N.; Tavian, L.; Wenninger, J.; Zimmermann, F.; Rinolfi, L; Blondel, A.; Koratzinos, M.; Gorgi Zadeh, S.

    2016-01-01

    We present a first rough estimate for the electrical power consumption of the FCC-ee lepton collider. This electrical power is dominated by the RF system, which provides the motivation for the ongoing R&D on highly efficient RF power sources. Other contributions come from the warm arc magnets, the cryogenics systems, cooling, ventilation, general services, the particle-physics detectors, and the injector complex.

  20. FCC riser quick separation system: a review

    Directory of Open Access Journals (Sweden)

    Zhi Li

    2016-10-01

    Full Text Available Abstract The riser reactor is the key unit in the fluid catalytic cracking (FCC process. As the FCC feedstocks become heavier, the product mixture of oil, gas and catalysts must be separated immediately at the outlet of the riser to avoid excessive coking. The quick separation system is the core equipment in the FCC unit. China University of Petroleum (Beijing has developed many kinds of separation system including the fender-stripping cyclone and circulating-stripping cyclone systems, which can increase the separation efficiency and reduce the pressure drop remarkably. For the inner riser system, a vortex quick separation system has been developed. It contains a vortex quick separator and an isolated shell. In order to reduce the separation time, a new type of separator called the short residence time separator system was developed. It can further reduce the separation time to less than 1 s. In this paper, the corresponding design principles, structure and industrial application of these different kinds of separation systems are reviewed. A system that can simultaneously realize quick oil gas separation, quick oil gas extraction and quick pre-stripping of catalysts at the end of the riser is the trend in the future.

  1. Beam Dynamics Challenges for FCC-ee

    CERN Document Server

    AUTHOR|(SzGeCERN)442987; Benedikt, Michael; Oide, Katsunobu; Bogomyagkov, Anton; Levichev, Evgeny; Migliorati, Mauro; Wienands, Uli

    2015-01-01

    The goals of FCC-ee include reaching luminosities of up to a few 1036 cm-2s-1 per interaction point at the Z pole or some 1034 cm-2s-1 at the ZH production peak, and pushing the beam energy up to ≥175 GeV, in a ring of 100 km circumference, with a total synchrotron-radiation power not exceeding 100 MW. A parameter baseline as well as high-luminosity crab-waist options were described in [1] and [2], respectively. The extremely high luminosity and resulting short beam lifetime (due to radiative Bhabha scattering) are sustained by top-up injection. The FCC-ee design status and typical beam parameters for different modes of operation are reported in [3]. One distinct feature of the FCC-ee design is its conception as a double ring, with separate beam pipes for the two counter-rotating (electron and positron) beams, resembling, in this aspect, the high-luminosity B factories PEP-II, KEKB and SuperKEKB as well as the LHC. The two separate rings do not only permit operation with a large number of bunches, up to a f...

  2. Computer simulation of FCC riser reactors.

    Energy Technology Data Exchange (ETDEWEB)

    Chang, S. L.; Golchert, B.; Lottes, S. A.; Petrick, M.; Zhou, C. Q.

    1999-04-20

    A three-dimensional computational fluid dynamics (CFD) code, ICRKFLO, was developed to simulate the multiphase reacting flow system in a fluid catalytic cracking (FCC) riser reactor. The code solve flow properties based on fundamental conservation laws of mass, momentum, and energy for gas, liquid, and solid phases. Useful phenomenological models were developed to represent the controlling FCC processes, including droplet dispersion and evaporation, particle-solid interactions, and interfacial heat transfer between gas, droplets, and particles. Techniques were also developed to facilitate numerical calculations. These techniques include a hybrid flow-kinetic treatment to include detailed kinetic calculations, a time-integral approach to overcome numerical stiffness problems of chemical reactions, and a sectional coupling and blocked-cell technique for handling complex geometry. The copyrighted ICRKFLO software has been validated with experimental data from pilot- and commercial-scale FCC units. The code can be used to evaluate the impacts of design and operating conditions on the production of gasoline and other oil products.

  3. Novel Cubic Magnetite Nanoparticle Synthesis Using Room Temperature Ionic Liquid

    Directory of Open Access Journals (Sweden)

    M. Sundrarajan

    2012-01-01

    Full Text Available Room Temperature Ionic liquids are relatively more useful in the synthesis of inorganic nanostructured materials because of their unique properties. To synthesize the iron oxide nanoparticle in simple precipitation method, a novel ionic liquid was used as the greener medium and stabilizing agent namely “1-n-butyl-3-methylimidazolium trifluoromethane sulfonate [BMIM][TfO]”. The crystallinity, chemical structure, morphology and magnetic properties of the synthesized magnetite nanoparticles have been characterized by using X-ray diffraction (XRD, Fourier Transform Infrared (FT-IR, Scanning electron microscopy (SEM, Atomic force microscopy(AFM, Transmission electron microscopy (TEM and Vibrating sample magnetometer (VSM studies. The XRD study is divulge that the synthesized magnetite nanoparticles have inverse spinel face centered cubic structure. The FT-IR vibration peaks show the formation of Fe3O4 nanoparticles, where the vibration peak for Fe-O is deliberately presence at 584 cm-1. The average particle size of the synthesized nanoparticles is found to be 35 nm. Homogeneously dispersed cubic shape with superstructure is found through SEM, AFM and TEM examination studies. The synthesized iron oxide nanoparticles have a high saturation magnetization value of 25 emu/g, which is very much useful for biomedical applications.

  4. Anisotropic cubic curvature couplings

    CERN Document Server

    Bailey, Quentin G

    2016-01-01

    To complement recent work on tests of spacetime symmetry in gravity, cubic curvature couplings are studied using an effective field theory description of spacetime-symmetry breaking. The associated mass dimension 8 coefficients for Lorentz violation studied do not result in any linearized gravity modifications and instead are revealed in the first nonlinear terms in an expansion of spacetime around a flat background. We consider effects on gravitational radiation through the energy loss of a binary system and we study two-body orbital perturbations using the post-Newtonian metric. Some effects depend on the internal structure of the source and test bodies, thereby breaking the Weak Equivalence Principle for self-gravitating bodies. These coefficients can be measured in solar-system tests, while binary-pulsar systems and short-range gravity tests are particularly sensitive.

  5. Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes (PREPRINT)

    Science.gov (United States)

    2010-01-01

    centered cubic ( FCC ) structure . Interestingly, there have been reports in the literature related to the stabilization of a non-equilibrium hexagonal...crystallite size (~ 4 nm) and changes to the equilibrium FCC structure for larger crystallite sizes [9-10]. Nickel does not form a carbide under equilibrium...a single weak ring corresponding to the face-centered cubic ( FCC ) structure of Ni. The lattice parameter of the HCP phase was determined to be a

  6. Application of Zeolitic Additives in the Fluid Catalytic Cracking (FCC

    Directory of Open Access Journals (Sweden)

    A. Nemati Kharat

    2013-06-01

    Full Text Available Current article describes application of zeolites in fluid catalytic cracking (FCC. The use of several zeolitic additives for the production light olefins and reduction of pollutants is described. Application of zeolites as fluid catalytic cracking (FCC catalysts and additives due to the presence of active acid sites in the zeolite framework  increase the formation of desired cracking products (i.e., olefin and branched products  in the FCC unit.

  7. FCC DeSOx and DeNOx additive technology

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The fluid catalytic cracking(FCC) is the principal gasoline-producing process in the refinery. Considerable amounts of harmful sulfur oxides and nitrogen oxides (SOx and NOx ) are generated with the FCC operation. Impacted by strengthening environmental regulations and the current global emphasis on environmental protection and pollution abatement, refiners have been meaning to look for effective ways to control and reduce SOx and NOx emissions. FCC DeSOx and DeNOx additives is the most promising measure. The present paper reviews the developments in FCC DeSOx and DeNOx additive technology based on the respective authors' works, the future directions of the technology are also discussed.

  8. PURIFIED WASTE FCC CATALYST AS A CEMENT REPLACEMENT MATERIAL

    Directory of Open Access Journals (Sweden)

    Danute Vaiciukyniene

    2015-06-01

    Full Text Available Zeolites are commonly used in the fluid catalytic cracking process. Zeolite polluted with oil products and became waste after some time used. The quantity of this waste inevitably rises by expanding rapidly oil industry. The composition of these catalysts depends on the manufacturer and on the process that is going to be used. The main factors retarding hydration process of cement systems and modifying them strength are organic compounds impurities in the waste FCC catalyst. The present paper shows the results of using purified waste FCC catalyst (pFCC from Lithuania oil refinery, as Portland cement replacement material. For this purpose, the purification of waste FCC catalyst (FCC samples was treated with hydrogen peroxide. Hydrogen peroxide (H2O2 is one of the most powerful oxidizers known. By acting of waste with H2O2 it can eliminate the aforementioned waste deficiency, and the obtained product becomes one of the most promising ingredients, in new advanced building materials. Hardened cement paste samples with FCC or pFCC were formed. It was observed that the pFCC blended cements developed higher strength, after 28 days, compared to the samples with FCC or reference samples. Typical content of Portland cement substituting does not exceed 30 % of mass of Portland cement in samples. Reducing the consumption of Portland cement with utilizing waste materials is preferred for reasons of environmental protection.

  9. Enabling microstructural changes of FCC/BCC alloys in 2D dislocation dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Ilker Topuz, Ahmet, E-mail: aitopuz@gmail.com

    2015-03-11

    Dimension reduction procedure is the recipe to represent defects in two dimensional dislocation dynamics according to the changes in the geometrical properties of the defects triggered by different conditions such as radiation, high temperature, or pressure. In the present study, this procedure is extended to incorporate further features related to the presence of defects with a special focus on face-centered cubic/body-centered cubic alloys used for diverse engineering purposes. In order to reflect the microstructural state of the alloy on the computational cell of two dimensional dislocation dynamics, the distribution of the multi-type defects over slip lines is implemented by using corresponding strength and line spacing for each type of defect. Additionally, a simple recursive incremental relation is set to count the loop accumulation on the precipitates. In the case of continuous resistance against the motion of edge dislocations on the slip lines, an expression of friction is introduced to see its contribution on the yield strength. Each new property is applied independently on a different material by using experimental information about defect properties and grain sizes under the condition of plain strain deformation: both constant and dynamically increasing obstacle strength for precipitate coarsening in prime-aged and heat-treated copper-chromium-zirconium, internal friction in tantalum-2.5tungsten, and mixed hardening due to the presence of precipitates and prismatic loops in irradiated oxide dispersion strengthened EUROFER with 0.3% yttria.

  10. Magnetic states, correlation effects and metal-insulator transition in FCC lattice

    Science.gov (United States)

    Timirgazin, M. A.; Igoshev, P. A.; Arzhnikov, A. K.; Irkhin, V. Yu

    2016-12-01

    The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation-induced electron spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals {{t}\\prime}/t . In contrast with metallic state, possessing substantial band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition (discontinuous) for most {{t}\\prime}/t . The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on {{t}\\prime}/t . The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.

  11. The Magnetic Ordering in Diluted Crystal Magnets with Indirect Exchange Interaction

    OpenAIRE

    Belokon, V. I.; Nefedev, K. V.; Savunov, M. A.

    2006-01-01

    The closed system of equations for a determination of parameters distribution function for random interaction fields was calculated analytically. The estimations of critical concentrations for phase transitions in diluted crystal magnets with face centered cubic (fcc), volume centered cubic (vcc) and simple cubic (sc) lattices with interaction of Ruderman-Kittel-Kasua-Yosida between spins were made.

  12. REACTION CHEMISTRY RELATED TO FCC GASOLINE QUALITY

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    About 80% of the gasoline pool as a whole in China for supplying the domestic market at current stage directly originates from FCC units. Obviously, FCC gasoline quality is critical for refiners to meet the nations more and more stringent gasoline specifications. FCC process is expected to produce gasoline with reduced contents of olefins, aromatics, benzene, sulfur, and, contradictorily, still with high octane number.   Catalytic cracking process involves a series of acid catalyzed reactions. Bronsted acid sites dominate the surface of the catalyst used for FCC process. All the reactions of hydrocarbons in FCC process are based on carbonium ions of penta-coordinated, or carbenium ions of tri-coordinated. The monomolecular beta scission mechanism for alkane cracking explains that the cracking of carbon-carbon bonding occurs at the beta position to the carbon atom bearing positive charge, and hence forms two small hydrocarbon molecules: one alkane molecule and one olefin molecule. The molar ratio of alkane to olefin for the primary cracking product will be 1 and it will be less than 1 if the cracking reaction proceeds.   However, it is proved that bimolecular reaction pathways exist between surface carbenium ions and the feed molecules. The products of this bimolecular disproportionation reaction could be an alkane molecule and a newly formed carbenium ion. The better understanding of the reaction chemistry of FCC process based on monomolecular pathways and bimolecular pathways should be the basis for searching approaches to the improvement of FCC gasoline quality. In the complicated reaction scheme of the FCC process, the isomerization reaction leading to the formation of iso-alkanes is obviously a target reaction, which favors both olefin reduction and octane enhancement.   The cracking of small paraffin molecules, due to its limited number of reaction pathways and products, has been used to investigate cracking mechanism. In the present work the

  13. 47 CFR 76.1714 - FCC rules and regulations.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false FCC rules and regulations. 76.1714 Section 76.1714 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) BROADCAST RADIO SERVICES MULTICHANNEL VIDEO AND CABLE TELEVISION SERVICE Documents to be Maintained for Inspection § 76.1714 FCC...

  14. 47 CFR 73.4000 - Listing of FCC policies.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Listing of FCC policies. 73.4000 Section 73... BROADCAST SERVICES Rules Applicable to All Broadcast Stations § 73.4000 Listing of FCC policies. The following sections list, solely for the purpose of reference and convenience, certain Policies of the...

  15. Tracking Simulation for Beam Loss Studies with Application to FCC

    CERN Document Server

    Boscolo, M

    2015-01-01

    We present first results on FCC-ee beam losses using a tracking simulation tool originally developed and successfully applied to Flav or Factories designs. After a brief description of the tool, we discuss first results obtained for FCC-ee at top energy, both for the Touschek effect and radiative Bhabha scattering.

  16. Major Technical Measures for Revamp of FCC Units in China

    Institute of Scientific and Technical Information of China (English)

    Li Wenjie

    2003-01-01

    FCC units are playing an important role at refineries, in particular at Chinese refineries. To cope with the current demand for better economic benefits, environmental protection and product slate adjustment, a host of FCC units need to be technically revamped. This article describes the practical processes, technologies and equipment to serve different revamp targets with analysis of two examples on revamp of commercial units.

  17. Lattice Green functions: the seven-dimensional face-centred cubic lattice

    Science.gov (United States)

    Zenine, N.; Hassani, S.; Maillard, J. M.

    2015-01-01

    We present a recursive method to generate the expansion of the lattice Green function of the d-dimensional face-centred cubic (fcc) lattice. We produce a long series for d = 7. Then we show (and recall) that, in order to obtain the linear differential equation annihilating such a long power series, the most economic way amounts to producing the non-minimal order differential equations. We use the method to obtain the minimal order linear differential equation of the lattice Green function of the seven-dimensional fcc lattice. We give some properties of this irreducible order-eleven differential equation. We show that the differential Galois group of the corresponding operator is included in SO(11, {C}). This order-eleven operator is non-trivially homomorphic to its adjoint, and we give a ‘decomposition’ of this order-eleven operator in terms of four order-one self-adjoint operators and one order-seven self-adjoint operator. Furthermore, using the Landau conditions on the integral, we forward the regular singularities of the differential equation of the d-dimensional lattice and show that they are all rational numbers. We evaluate the return probability in random walks in the seven-dimensional fcc lattice. We show that the return probability in the d-dimensional fcc lattice decreases as d-2 as the dimension d goes to infinity.

  18. Angular distortive matrices of phase transitions in the fcc-bcc-hcp system

    OpenAIRE

    Cayron, Cyril

    2016-01-01

    This work generalizes the one-step model previously developed on fcc-bcc martensitic transformations to the larger family of phase transitions in the fcc-bcc-hcp system. The angular distortive matrices are calculated for the bcc-fcc, bcc-hcp and fcc-hcp transitions, and for fcc-fcc mechanical twinning. The analytical expressions of the continuous atomic displacements, lattice distortion and lattice correspondence matrices result directly from the orientation relationships; the unique assumpti...

  19. 47 CFR 95.225 - (R/C Rule 25) How do I contact the FCC?

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (R/C Rule 25) How do I contact the FCC? 95.225... (R/C Rule 25) How do I contact the FCC? (a) FCC National Call Center at 1-888-225-5322. (b) FCC World Wide Web homepage: http://www.fcc.gov. (c) In writing, to FCC, Attention: R/C, 1270 Fairfield...

  20. Precision measurements of the top quark couplings at the FCC

    CERN Document Server

    AUTHOR|(CDS)2051271

    2015-01-01

    The design study of the Future Circular Colliders (FCC) in a 100-km ring in the Geneva area has started at CERN at the beginning of 2014, as an option for post-LHC particle accelerators. The study has an emphasis on proton-proton and electron-positron high-energy frontier machines. In the current plans, the first step of the FCC physics programme would exploit a high-luminosity e+e- collider called FCC-ee, with centre-of-mass energies ranging from below the Z pole to the t-tbar threshold and beyond, followed by 100\\,TeV proton-proton collisions as ultimate goal. When combined, these two steps offer a large palette of complementary measurements and sensitivity for new physics. In particular, the association of the FCC-ee and the FCC-hh allows measurements of the top-quark electroweak and Yukawa couplings to be performed with unrivaled precision.

  1. Boron fullerenes B(32+8k) with four-membered rings and B32 solid phases: geometrical structures and electronic properties.

    Science.gov (United States)

    Sheng, Xian-Lei; Yan, Qing-Bo; Zheng, Qing-Rong; Su, Gang

    2009-11-14

    Based on ab initio calculations, we have studied the geometrical, electronic properties and chemical bonding of boron fullerenes B(32+8k) (0 cubic (sc), face-centered cubic (fcc), body-centered cubic (bcc), and body-centered tetragonal (bct) structures, where the bct phase is observed to be the most stable. Electronic structure calculations reveal that the sc, fcc and bcc phases of B(32) solids are metallic, but the bct phase is a semimetal.

  2. A Cubic Tree Taper Model

    National Research Council Canada - National Science Library

    Goodwin, Adrian N

    2009-01-01

    A flexible tree taper model based on a cubic polynomial is described. It is algebraically invertible and integrable, and can be constrained by one or two diameters, neither of which need be diameter at breast height (DBH...

  3. Use of Shape Memory Alloys in the Robust Control of Smart Structures

    Science.gov (United States)

    1993-08-01

    o.W w’,. Xi) 18 2.3.4 Phase Transformation and Shape Recovery In-TI alloys in a certain composition range have a FCC structure as a parent phase and...Alloy Films Alloys in the composition range of 15-30 at% thallium are known to have a face centered cubic( FCC ) structure as a parent phase which...24 Structure of as-deposited alloys In-TI alloys in a certain composition range have a face centered cubic( FCC ) structure as a parent phase and

  4. Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

    DEFF Research Database (Denmark)

    Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

    2012-01-01

    In this work, we extend the activity volcano for oxygen reduction from the face-centered cubic (fcc) metal (111) facet to the (100) facet. Using density functional theory calculations, we show that the recent findings of constant scaling between OOH* and OH* holds on the fcc metal (100) facet, as...

  5. Fabrications of Photonic Bandgap Structures in Si and Ge Substrates Using Laser-Assisted Nanoimprinting of Self-Assembled Nanoparticles

    Science.gov (United States)

    2006-09-01

    and FDTD. The PBG structures were modeled as face center cubic ( FCC ) structure , illustrated in Fig. 19, with different geometry and refractive index...normal incidence to (111) plane of FCC structure (indicated as red arrows in Fig. 23) is labeled in the diagram as red band. When the incident angle is

  6. Deformed lattice states in a Zn{sub 0.9}V{sub 0.1}Se cubic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Maksimov, V. I., E-mail: kokailo@rambler.ru; Dubinin, S. F.; Surkova, T. P.; Parkhomenko, V. D. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation)

    2016-01-15

    Neutron scattering patterns have been recorded for a bulk Zn{sub 0.9}V{sub 0.1}Se cubic crystal at room temperature; they are indicative of macroscopic deformation in the material and its significant inhomogeneity. Specific features of the previously found state, preceding the fcc ↔ hcp structural transformation of the sphalerite lattice upon strong destabilization induced by vanadium ions in the doped ZnSe matrix, are discussed taking into account the data obtained.

  7. Adaptive GPC controller applied to FCC units; Controlador GPC adaptativo aplicado em unidades FCC

    Energy Technology Data Exchange (ETDEWEB)

    Melo Junior, Wilson S.; Rodrigues, Luiz Carlos A.; Arruda, L. Valeria R.; Neves Junior, Flavio [Centro Federal de Educacao Tecnologica do Parana, Curitiba, PR (Brazil). Programa de Pos-graduacao em Engenharia Eletrica e Informatica Industrial]. E-mail: melo, lcar, arruda, neves@cpgei.cefetpr.br

    2003-07-01

    This paper presents a predictive controller implementation applied on FCC unit. It is based on GPC (Generalized Predictive Control) algorithm and uses an adaptive model generated by real time identification using RLS (Recursive Least Squares) algorithm. A Kellogg Orthoflow F unit model is used to validate this implementation. In a FCC unit, the main reactions happen in riser and there are two regeneration stages. The controller is tuning to two manipulated variables and two controlled variables. The manipulated variables are the regenerated catalytic flow and the airflow rate to regenerator. The controlled variables are the riser temperature and the second stage regenerator temperature. The controller performance is evaluated by simulation and the obtained results assert the applicability of the proposed approach. (author)

  8. Spin-driven symmetry breaking in the frustrated fcc pyrite MnS2.

    Science.gov (United States)

    Kimber, Simon A J; Chatterji, Tapan

    2015-06-10

    We report the characterisation of natural samples of the cubic pyrite mineral MnS2 using very high resolution synchrotron x-ray diffraction techniques. At low temperatures we find a new low temperature polymorph, which results from coupling between magnetic and lattice degrees of freedom. Below the magnetic ordering temperature T(N) = 48 K, we detect a pseudo-tetragonal distortion with a tiny c/a ratio of 1.0006. The structure can be refined in the space group Pbca The symmetry lowering reduces magnetic frustration in the fcc Mn(2+) lattice and is likely responsible for the previously reported lock-in of the magnetic propagation vector. This behaviour is similar to the spin-Peierls phase transitions reported in other three-dimensional Heisenberg magnets like the chromate spinels.

  9. A simple model for large-scale simulations of fcc metals with explicit treatment of electrons

    Science.gov (United States)

    Mason, D. R.; Foulkes, W. M. C.; Sutton, A. P.

    2010-01-01

    The continuing advance in computational power is beginning to make accurate electronic structure calculations routine. Yet, where physics emerges through the dynamics of tens of thousands of atoms in metals, simplifications must be made to the electronic Hamiltonian. We present the simplest extension to a single s-band model [A.P. Sutton, T.N. Todorov, M.J. Cawkwell and J. Hoekstra, Phil. Mag. A 81 (2001) p.1833.] of metallic bonding, namely, the addition of a second s-band. We show that this addition yields a reasonable description of the density of states at the Fermi level, the cohesive energy, formation energies of point defects and elastic constants of some face-centred cubic (fcc) metals.

  10. Precision Electroweak Measurements at FCC-ee

    CERN Document Server

    Tenchini, Roberto

    2014-01-01

    The prospects for electroweak precision measurements at the Future Circular Collider with electron-positron beams (FCC-ee) are discussed. The Z mass and width, as well as the value of the electroweak mixing angle, can be measured with very high precision at the Z pole thanks to an instantaneous luminosity five to six order of magnitudes larger than LEP. At centre-of-mass energies around 160 GeV, corresponding to the WW production threshold, the W mass can be determined very precisely with high-statistics cross section measurements at several energy points. Similarly, a very precise determination of the top mass can be provided by an energy scan at the $\\mathrm{t \\bar t}$ production threshold, around 350 GeV.

  11. 9th FCC-ee (TLEP) Physics Workshop

    CERN Document Server

    2015-01-01

    This is the 9th in the series of FCCee/TLEP-related workshops. It follows on from the sucessful 8th TLEP workshop that took place in Paris on 27-29 October 2014, and the FCC kick-off meeting held on 12-15 February 2014 at University of Geneva. The workshop is open to all FCC-ee /TLEP design study members, and more generally to all interested in a precision Z, W, H, top factory. The focus will be on physics and experiments at the FCC-ee, but a more general session is organized the first day (Tuesday 3 February afternoon) with presentations about the FCC design study as a whole, and on machine and physics for the FCC-ee and the FCC-hh, with synergies and complementarities. This session is aimed at a larger audience, towards improving the project visibility in Italy. It will be followed by a social dinner in the evening. The workshop starts on Tuesday at 13:30 and ends on Thursday 16:00. Registration is now open, please proceed at your earliest convenience! Please visit the FCC-ee / TLEP web site, and subscrib...

  12. FCC-ee Physics workshop | 19-21 June 2014

    CERN Multimedia

    2014-01-01

    The 7th FCC-ee/TLEP workshop, the first after the FCC kick-off in February 2014, will be focused on physics and experiments.     It will take place on 19-21 June at CERN in the TH auditorium. The registration is open and the agenda is available on the indico web page: http://indico.cern.ch/event/313708/. You are all cordially invited to attend! This will be the first in a series of workshops that will lead us to the first FCC-ee physics milestone, a document defining the physics landscape and study plans, required for March 2015. More information can be found here. FCC-ee is a high-luminosity Z, W, Higgs and top factory, to be hosted in a 100km tunnel, possibly as the first step towards a 100 TeV pp collider FCC-hh. These two machines are being studied within the FCC design study. High precision, high statistics and a clean environment are the tools available in FCC-ee to shed light on the unknown physics that underlies present mysteries: dark matter, the baryon asymmetry of th...

  13. Microemulsion-mediated synthesis of cobalt (pure fcc and hexagonal phases) and cobalt-nickel alloy nanoparticles.

    Science.gov (United States)

    Ahmed, Jahangeer; Sharma, Shudhanshu; Ramanujachary, Kandalam V; Lofland, Samuel E; Ganguli, Ashok K

    2009-08-15

    By choosing appropriate microemulsion systems, hexagonal cobalt (Co) and cobalt-nickel (1:1) alloy nanoparticles have been obtained with cetyltrimethylammonium bromide as a cationic surfactant at 500 degrees C. This method thus stabilizes the hcp cobalt even at sizes (fcc cobalt is predicted to be stable. On annealing the hcp cobalt nanoparticles in H(2) at 700 degrees C we could transform them to fcc cobalt nanoparticles. Microscopy studies show the formation of spherical nanoparticles of hexagonal and cubic forms of cobalt and Co-Ni (1:1) alloy nanoparticles with the average size of 4, 8 and 20 nm, respectively. Electrochemical studies show that the catalytic property towards oxygen evolution is dependent on the applied voltage. At low voltage (less than 0.65 V) the Co (hexagonal) nanoparticles are superior to the alloy (Co-Ni) nanoparticles while above this voltage the alloy nanoparticles are more efficient catalysts. The nanoparticles of cobalt (hcp and fcc) and alloy (Co-Ni) nanoparticles show ferromagnetism. The saturation magnetization of Co-Ni nanoparticles is reduced compared to the bulk possibly due to surface oxidation.

  14. Universal Reconfiguration of (Hyper-)cubic Robots

    OpenAIRE

    Abel, Zachary; Kominers, Scott D.

    2008-01-01

    We study a simple reconfigurable robot model which has not been previously examined: cubic robots comprised of three-dimensional cubic modules which can slide across each other and rotate about each others' edges. We demonstrate that the cubic robot model is universal, i.e., that an n-module cubic robot can reconfigure itself into any specified n-module configuration. Additionally, we provide an algorithm that efficiently plans and executes cubic robot motion. Our results directly extend to a...

  15. 47 CFR 95.422 - (CB Rule 22) How do I answer correspondence from the FCC?

    Science.gov (United States)

    2010-10-01

    ... from the FCC? 95.422 Section 95.422 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.422 (CB Rule 22) How do I answer correspondence from the FCC? (a) If it appears to the FCC that you have violated the Communications Act or these rules, the FCC may send you...

  16. 76 FR 6473 - Sunshine Act; FCC To Hold Open Commission Meeting Tuesday, February 8, 2011

    Science.gov (United States)

    2011-02-04

    ... COMMISSION Sunshine Act; FCC To Hold Open Commission Meeting Tuesday, February 8, 2011 February 1, 2011. The... Competition Title: Reform of the FCC Form 477 Data Program (WC Docket No. 11-10); Development of Nationwide... impossible to fill. Send an e-mail to: fcc504@fcc.gov or call the Consumer & Governmental Affairs Bureau...

  17. 76 FR 20976 - Wireline Competition Bureau Releases 2011 Annual Telecommunications Reporting Worksheet (FCC Form...

    Science.gov (United States)

    2011-04-14

    ... COMMISSION Wireline Competition Bureau Releases 2011 Annual Telecommunications Reporting Worksheet (FCC Form... Reporting Worksheet (FCC Form 499-A) and accompanying instructions. Filers may now submit their FCC Form 499-A to the Universal Service Administrative Company. DATES: Filers must submit the FCC Form...

  18. Elastic and magnetic properties of cubic Fe$_{4}$C from first-principles

    OpenAIRE

    Rahman, Gul; Jan, Haseen Ullah

    2014-01-01

    First-principles based on density functional theory is used to study the phase stability, elastic, magnetic, and electronic properties of cubic (c)-Fe$_4$C. Our results show that c-Fe$_{4}$C has a ferromagnetic (FM) ground state structure compared with antiferromagnetic (AFM) and nonmagnetic (NM)states. To study the phase stability of c-Fe$_4$C, BCC Fe$_4$C, FCC Fe$_4$C, and BCC Fe$_{16}$C, where C is considered at tetrahedral and octahedral interstitial sites, are also considered. Although, ...

  19. Study on Reduction of Sulfur Content in FCC Gasoline

    Institute of Scientific and Technical Information of China (English)

    Hou Dianguo

    2003-01-01

    Reduction of sulfur content in FCC gasoline was studied in a fixed fluid bed (FFB) unit by using metal-modified LV-23 FCC catalyst. The results showed that the sulfur content in FCC gasoline could be reduced with LV-23 catalyst modified with zinc, palladium, zinc-palladium, zinc-cobalt, and zinc-nickel. Among these metals or metal combinations, palladium-containing catalyst was the most effective. Desulfurization of the heavy fraction of FCC gasoline was more effective than full-range gasoline under the same conditions with palladium-containing catalysts. A high reaction temperature was favorable to desulfurization, but it would reduce the yield of liquid product. After desulfurization reaction, the olefin content of product gasoline decreased while the aromatic and iso-alkane contents increased. Removal of thiophene and benzothiophene is higher.

  20. FCC Catalysts to Meet Demand of New Era

    Institute of Scientific and Technical Information of China (English)

    Yu Daping

    2008-01-01

    The CGP series FCC catalysts for manufacture of clean gasoline and propylene and the catalyst RSC-2006 for processing inferior residuum with high yield of light distillates are novel catalysts jointly developed by Qilu Catalyst Branch Company of SINOPEC Corp. and the Research Institute of Petroleum Processing (RIPP). The results of commercial application of these catalysts have revealed that they can satisfactorily meet the requirements for environmental protection, good economic benefits and capability for processing inferior FCC feed under new circumstances.

  1. Spent FCC catalyst for improving early strength Portland cement

    OpenAIRE

    Borrachero Rosado, María Victoria; Monzó Balbuena, José Mª; Paya Bernabeu, Jorge Juan; Vunda, Christian; VELÁZQUEZ RODRÍGUEZ, SERGIO; Soriano Martinez, Lourdes

    2014-01-01

    Spent fluid catalytic cracking (FCC) catalyst from the petrol industry has proven to be a very active pozzolanic material. This behavior leads to an additional increase in the strength of the mortar that contains this catalyst. Pozzolanic effects tend to be considered for periods above three days, whereas in shorter times, the influence of pozzolan is usually negligible. The reactivity of FCC is so high, however, that both pozzolanic effects and acceleration of cement hydration are evident in...

  2. Selective Hydrodesulfurization of FCC Gasoline Using LH-07 Catalyst

    Institute of Scientific and Technical Information of China (English)

    Da Jianwen; Han Xinzhu; Liu Aihua; Xu Xinzhong

    2002-01-01

    @@ 1.Introduction Since the environmental regulations are increasingly strin gent than ever, the production of clean automobile fuel is a vital target in China, especially after China has become a WTO member. However, the sulfur content in gasoline pool of China is still very high. Over 95% of the sulfur in gaso line pool comes from FCC naphtha. It is necessary to remove sulfur in FCC naphtha.

  3. Study on Disproportionation Reaction of FCC Gasoline on Acid Catalyst

    Institute of Scientific and Technical Information of China (English)

    Xu Youhao; Wang Xieqing

    2004-01-01

    Based on the experimental data relating to the reaction of FCC gasoline on acid catalyst the analysis of product distribution, and composition of gasoline and diesel fractions have been analyzed. The occurrence of disproportionation reaction of FCC gasoline on acid catalyst and the network of disproportionation reaction have been identified. Study has also shown that different reaction temperatures can result in different pathways of disproportionation reactions on acid catalyst.

  4. Neutron Scattering from fcc Pr and Pr3Tl

    DEFF Research Database (Denmark)

    Birgeneau, R. J.; Als-Nielsen, Jens Aage; Bucher, E.

    1972-01-01

    Elastic-neutron-scattering measurements on the singlet-ground-state ferromagnets fcc Pr and Pr3 Tl are reported. Both exhibit magnetic phase transitions, possibly to a simple ferromagnetic state at 20 and 11.6 °K, respectively. The transitions appear to be of second order although that in fcc Pr...... is clearly anomalous. Additional information on the inelastic scattering studies of the Γ1-Γ4 excitons in these systems is presented. dhcp Pr is also briefly discussed....

  5. Nanotwinned fcc metals: Strengthening versus softening mechanisms

    Science.gov (United States)

    Stukowski, A.; Albe, K.; Farkas, D.

    2010-12-01

    The strengthening effect of twins in nanocrystalline metals has been reported both in experiment and simulation. While twins are mostly considered as effective barriers to dislocation slip transfer, they can also provide nucleation sites for dislocations or migrate during the deformation process, thereby contributing to plasticity. By comparing twinned and nontwinned samples, we study the effect of twins on the deformation behavior of nanocrystalline Cu and Pd using atomistic simulations. While Cu shows hardening due to the presence of twins, Pd shows the opposite effect. A quantitative dislocation analysis method is applied, which allows to analyze dislocation interactions with twin planes and grain boundaries and to measure dislocation, stacking fault, and twin-boundary densities as functions of strain. A statistical analysis of the occurring dislocation types provides direct evidence for the role of twin boundaries as effective sources for twinning dislocations, which are the reason for the observed softening in some fcc materials. In addition, we discuss how the orientation of the loading direction with respect to the twin planes affects the response of nanotwinned Cu and Pd.

  6. Outline and Status of the FCC-ee Design Study

    CERN Document Server

    Zimmermann, Frank

    2015-01-01

    The Update of the European Strategy for Particle Physics in 2013 [1] declared as its second highest priority that “…to propose an ambitious post-LHC accelerator project….., CERN should undertake design studies for accelerator projects in a global context,…with emphasis on proton-proton and electron-positron high-energy frontier machines…”. In response to this request, the global Future Circular Collider (FCC) study is designing a 100-TeV proton collider (FCC-hh) in a new ~100 km tunnel near Geneva, a high-luminosity electron-positron collider (FCC-ee) as a potential intermediate step, and a lepton-hadron option (FCC-he). The FCC study comprises accelerators, technology, infrastructure, detector, physics, concepts for worldwide data services, international governance models, and implementation scenarios. The FCC study is mandated to deliver a Conceptual Design Report and preliminary cost estimate by the time of the next European Strategy Update expected for 2019. As of July 2015, 58 institutes from...

  7. Cubication of Conservative Nonlinear Oscillators

    Science.gov (United States)

    Belendez, Augusto; Alvarez, Mariela L.; Fernandez, Elena; Pascual, Immaculada

    2009-01-01

    A cubication procedure of the nonlinear differential equation for conservative nonlinear oscillators is analysed and discussed. This scheme is based on the Chebyshev series expansion of the restoring force, and this allows us to approximate the original nonlinear differential equation by a Duffing equation in which the coefficients for the linear…

  8. Cryptographic Analysis in Cubic Time

    DEFF Research Database (Denmark)

    Nielson, Flemming; Nielson, Hanne Riis; Seidl, H.

    2004-01-01

    The spi-calculus is a variant of the polyadic pi-calculus that admits symmetric cryptography and that admits expressing communication protocols in a precise though still abstract way. This paper shows that context-independent control flow analysis can be calculated in cubic time despite the fact ...

  9. The diagonalization of cubic matrices

    Science.gov (United States)

    Cocolicchio, D.; Viggiano, M.

    2000-08-01

    This paper is devoted to analysing the problem of the diagonalization of cubic matrices. We extend the familiar algebraic approach which is based on the Cardano formulae. We rewrite the complex roots of the associated resolvent secular equation in terms of transcendental functions and we derive the diagonalizing matrix.

  10. The evolution of machining-induced surface of single-crystal FCC copper via nanoindentation.

    Science.gov (United States)

    Zhang, Lin; Huang, Hu; Zhao, Hongwei; Ma, Zhichao; Yang, Yihan; Hu, Xiaoli

    2013-05-04

    The physical properties of the machining-induced new surface depend on the performance of the initial defect surface and deformed layer in the subsurface of the bulk material. In this paper, three-dimensional molecular dynamics simulations of nanoindentation are preformed on the single-point diamond turning surface of single-crystal copper comparing with that of pristine single-crystal face-centered cubic copper. The simulation results indicate that the nucleation of dislocations in the nanoindentation test on the machining-induced surface and pristine single-crystal copper is different. The dislocation embryos are gradually developed from the sites of homogeneous random nucleation around the indenter in the pristine single-crystal specimen, while the dislocation embryos derived from the vacancy-related defects are distributed in the damage layer of the subsurface beneath the machining-induced surface. The results show that the hardness of the machining-induced surface is softer than that of pristine single-crystal copper. Then, the nanocutting simulations are performed along different crystal orientations on the same crystal surface. It is shown that the crystal orientation directly influences the dislocation formation and distribution of the machining-induced surface. The crystal orientation of nanocutting is further verified to affect both residual defect generations and their propagation directions which are important in assessing the change of mechanical properties, such as hardness and Young's modulus, after nanocutting process.

  11. Nucleation of liquid droplets and voids in a stretched Lennard-Jones fcc crystal.

    Science.gov (United States)

    Baidakov, Vladimir G; Tipeev, Azat O

    2015-09-28

    The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal-liquid phase equilibrium when the melting line comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one.

  12. Inferring elastic properties of an fcc crystal from displacement correlations: subspace projection and statistical artifacts.

    Science.gov (United States)

    Hasan, A; Maloney, C E

    2014-12-01

    We compute the effective dispersion and vibrational density of states (DOS) of two-dimensional subregions of three-dimensional face-centered-cubic crystals using both a direct projection-inversion technique and a Monte Carlo simulation based on a common underlying Hamiltonian. We study both a (111) and (100) plane. We show that for any given direction of wave vector, both (111) and (100) show an anomalous ω(2)∼q regime at low q where ω(2) is the energy associated with the given mode and q is its wave number. The ω(2)∼q scaling should be expected to give rise to an anomalous DOS, D(ω), at low ω: D(ω)∼ω(3) rather than the conventional Debye result: D(ω)∼ω(2). The DOS for (100) looks to be consistent with D(ω)∼ω(3), while (111) shows something closer to the conventional Debye result at the smallest frequencies. In addition to the direct projection-inversion calculation, we perform Monte Carlo simulations to study the effects of finite sampling statistics. We show that finite sampling artifacts act as an effective disorder and bias D(ω), giving a behavior closer to D(ω)∼ω(2) than D(ω)∼ω(3). These results should have an important impact on the interpretation of recent studies of colloidal solids where the two-point displacement correlations can be obtained directly in real-space via microscopy.

  13. Monte Carlo Simulation of the (100 Surface of the fcc Lattice of Platinum and Gold

    Directory of Open Access Journals (Sweden)

    G. A. Parsafar

    1997-04-01

    Full Text Available   In this work, the (100 surface of Au and Pts face centered cubic lattice, has been simulated in Monte-Carlo method, using a 486-DX2 computer. The potential equation that was used for the interaction among atoms in the metal surfaces is called Sutton and Chen potential. This potential is introduced for the interaction of floating nuclei in the electron sea, and attractive term is a many body potential.   Surface atoms are allowed to move to their adjacent unoccupied sites. These movements occur when temperature increases by which surface configuration, coordination number and the solid surface will be changed. In primary movements, we have large flactuations for the energy, but when the number of movements become large enough (order of hunders of thouands, we may ignore the small energy flactuation and therefore stable configuration can obtained.   In this calculation, we have taken into account the interaction between any particle with its first and second neighbouring atoms. Probability of acceptance of any movement is equal to the Boltzman factor. Finally, an equation, that is temperature dependency of surface magnitude, was abtained.

  14. Coherent potential approximation for the absorption spectra and the densities of states of cubic Frenkel exciton systems with Gaussian diagonal disorder

    Science.gov (United States)

    Avgin, I.; Boukahil, A.; Huber, D. L.

    2015-11-01

    Using the coherent potential approximation, we investigate the optical absorption and the density of states of Frenkel exciton systems on simple, body centered, and face centered cubic lattices with nearest-neighbor interactions and a Gaussian distribution of transition frequencies (i.e. Gaussian diagonal disorder). The analysis is based on an elliptic integral approach with a variety of variances. The results for the simple cubic lattice are in good agreement with the finite array calculations of Schreiber and Toyozawa. Our findings suggest that the coherent potential approximation can be useful in interpreting the optical properties of cubic crystals where the optically excited states are Frenkel excitons with the dominant interactions limited to nearest-neighbors.

  15. Coherent potential approximation for the absorption spectra and the densities of states of cubic Frenkel exciton systems with Gaussian diagonal disorder

    Energy Technology Data Exchange (ETDEWEB)

    Avgin, I. [Department of Electrical and Electronics Engineering, Ege University, Bornova 35100, Izmir (Turkey); Boukahil, A. [Physics Department, University of Wisconsin-Whitewater, Whitewater, WI 53190 (United States); Huber, D.L., E-mail: dhuber@src.wisc.edu [Physics Department, University of Wisconsin-Madison, Madison, WI 53706 (United States)

    2015-11-15

    Using the coherent potential approximation, we investigate the optical absorption and the density of states of Frenkel exciton systems on simple, body centered, and face centered cubic lattices with nearest-neighbor interactions and a Gaussian distribution of transition frequencies (i.e. Gaussian diagonal disorder). The analysis is based on an elliptic integral approach with a variety of variances. The results for the simple cubic lattice are in good agreement with the finite array calculations of Schreiber and Toyozawa. Our findings suggest that the coherent potential approximation can be useful in interpreting the optical properties of cubic crystals where the optically excited states are Frenkel excitons with the dominant interactions limited to nearest-neighbors.

  16. Downflow - the FCC of the future; Downflow - o FCC do futuro

    Energy Technology Data Exchange (ETDEWEB)

    Pinho, Andrea de Rezende; Huziwara, Wilson Kenzo [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES). Tecnologias de FCC]. E-mail: gerla@cenpes.petrobras.com.br; Ramos, Jose Geraldo Furtado; Silva, Mauro [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES). Engenharia Basica de FCC, Coque e Separacao]. E-mail: jgramos@cenpes.petrobras.com.br

    2002-03-01

    Thermal cracking reactions are not selective in prime products such as naphtha and LPG, which favors the formation of coke and fuel gas in the RISER reactor of the FCC. For this reason, thermal cracking is gradually being reduced and, consequently, the participation of catalytic cracking in this process is being increased. One of the ways to minimize thermal cracking in the reactor is to promote flow the closest possible to plug flow, through downward flow reactors, more commonly known as DOWNER or DOWNFLOW. Innumerable studies already done at CENPES in hot pilot units have demonstrated the attractiveness of this technology, through the utilization of cold demonstration units and through a complete knowledge of fluidization and Engineering techniques at PETROBRAS. The DOWNFLOW presents significant conversion gains, of 2.2% wt, basically due to the increase in gasoline and LPG production, resulting in a specific profitability increase of 6.7 US$/t of feed. This is possible due to the low selectivity of the DOWNFLOW to the coke. This technology offers a promising alternative for the future, keeping in mind the gradual increase in the participation of national petroleum from the Campos Basin in the list of feeds processed at the FCC units. (author)

  17. Cubic-to-Tetragonal Phase Transitions in Ag–Cu Nanorods

    Directory of Open Access Journals (Sweden)

    Francesco Delogu

    2012-01-01

    Full Text Available Molecular dynamics simulations have been used to investigate the structural behavior of nanorods with square cross section. The nanorods consist of pure Ag and Cu phases or of three Ag and Cu domains in the sequence Ag–Cu–Ag or Cu–Ag–Cu. Ag and Cu domains are separated by coherent interfaces. Depending on the side length and the size of individual domains, Ag and Cu can undergo a transition from the usual face-centered cubic structure to a body-centered tetragonal one. Such transition can involve the whole nanorod, or only the Ag domains. In the latter case, the transition is accompanied by a loss of coherency at the Ag–Cu interfaces, with a consequent release of elastic energy. The observed behaviors are connected with the stresses developed at the nanorod surfaces.

  18. The sintering behavior of close-packed spheres

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Tikare, V.; Frandsen, Henrik Lund

    2012-01-01

    The sintering behavior of close-packed spheres is investigated using a numerical model. The investigated systems are the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed spheres (hcp). The sintering behavior is found to be ideal, with no grain growth until full dens...

  19. Melting line of Yukawa system by computer simulation

    NARCIS (Netherlands)

    Meijer, E.J.; Frenkel, D.

    1991-01-01

    We located the melting line of the Yukawa system by determining the free energy of both fluid and solid phases by computer simulations. At the high densities the fluid freezes into a body-centered-cubic (bcc) solid, whereas for low densities it freezes into a face-centered-cubic (fcc) solid. For bot

  20. Bond-Energy and Surface-Energy Calculations in Metals

    Science.gov (United States)

    Eberhart, James G.; Horner, Steve

    2010-01-01

    A simple technique appropriate for introductory materials science courses is outlined for the calculation of bond energies in metals from lattice energies. The approach is applied to body-centered cubic (bcc), face-centered cubic (fcc), and hexagonal-closest-packed (hcp) metals. The strength of these bonds is tabulated for a variety metals and is…

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

    DEFF Research Database (Denmark)

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

    2009-01-01

    The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling....

  2. Spectroscopy and Dynamics of Molecular and Ionic Impurities Embedded in Solid Hydrogen

    Science.gov (United States)

    1993-09-01

    hexagonal close packed (hcp) or face centered cubic ( fcc ) structure . Fundamental properties of solid hydrogen are sum- marized in a review by Silvera... fcc structure in which each molecular site is a center of symmetry. This is because each neighbor molecule has its counterpart at the position diamet...and found no other spectral features. This indicates that our crystal has a purely hcp structure. A crystal with mixed hcp and fcc structure would give

  3. Cubication of conservative nonlinear oscillators

    Energy Technology Data Exchange (ETDEWEB)

    Belendez, Augusto; Alvarez, Mariela L [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain); Fernandez, Elena; Pascual, Inmaculada [Departamento de Optica, FarmacologIa y Anatomia, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain)], E-mail: a.belendez@ua.es

    2009-09-15

    A cubication procedure of the nonlinear differential equation for conservative nonlinear oscillators is analysed and discussed. This scheme is based on the Chebyshev series expansion of the restoring force, and this allows us to approximate the original nonlinear differential equation by a Duffing equation in which the coefficients for the linear and cubic terms depend on the initial amplitude, A, while in a Taylor expansion of the restoring force these coefficients are independent of A. The replacement of the original nonlinear equation by an approximate Duffing equation allows us to obtain an approximate frequency-amplitude relation as a function of the complete elliptic integral of the first kind. Some conservative nonlinear oscillators are analysed to illustrate the usefulness and effectiveness of this scheme.

  4. Cubic Matrix, Nambu Mechanics and Beyond

    OpenAIRE

    Kawamura, Y

    2002-01-01

    We propose a generalization of cubic matrix mechanics by introducing a canonical triplet and study its relation to Nambu mechanics. The generalized cubic matrix mechanics we consider can be interpreted as a “quantum” generalization of Nambu mechanics.

  5. Cubical sets and the topological topos

    DEFF Research Database (Denmark)

    Spitters, Bas

    2016-01-01

    Coquand's cubical set model for homotopy type theory provides the basis for a computational interpretation of the univalence axiom and some higher inductive types, as implemented in the cubical proof assistant. This paper contributes to the understanding of this model. We make three contributions...... show that it can also be a target for cubical realization by showing that Coquand's cubical sets classify the geometric theory of flat distributive lattices. As a side result, we obtain a simplicial realization of a cubical set. 2. Using the internal `interval' in the topos of cubical sets, we...... construct a Moore path model of identity types. 3. We construct a premodel structure internally in the cubical type theory and hence on the fibrant objects in cubical sets....

  6. Numbers for reducible cubic scrolls

    Directory of Open Access Journals (Sweden)

    Israel Vainsencher

    2004-12-01

    Full Text Available We show how to compute the number of reducible cubic scrolls of codimension 2 in (math blackboard symbol Pn incident to the appropriate number of linear spaces.Mostramos como calcular o número de rolos cúbicos redutíveis de codimensão 2 em (math blackboard symbol Pn incidentes a espaços lineares apropriados.

  7. 47 CFR 95.219 - (R/C Rule 19) How do I answer correspondence from the FCC?

    Science.gov (United States)

    2010-10-01

    ... from the FCC? 95.219 Section 95.219 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.219 (R/C Rule 19) How do I answer correspondence from the FCC? (a) If it appears to the FCC that you have violated the Communications Act or FCC rules, the FCC may send you...

  8. Phase-field-crystal model for fcc ordering.

    Science.gov (United States)

    Wu, Kuo-An; Adland, Ari; Karma, Alain

    2010-06-01

    We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to and reciprocal lattice vectors, which are chosen to form triads so as to produce a simple free-energy landscape with coexistence of crystal and liquid phases. The feasibility of the approach is demonstrated with numerical examples of polycrystalline and (111) twin growth. We use a two-mode amplitude expansion to characterize analytically the free-energy landscape of the model, identifying parameter ranges where fcc is stable or metastable with respect to bcc. In addition, we derive analytical expressions for the elastic constants for both fcc and bcc. Those expressions show that a nonvanishing amplitude of [200] density waves is essential to obtain mechanically stable fcc crystals with a nonvanishing tetragonal shear modulus (C11-C12)/2. We determine the model parameters for specific materials by fitting the peak liquid structure factor properties and solid-density wave amplitudes following the approach developed for bcc [K.-A. Wu and A. Karma, Phys. Rev. B 76, 184107 (2007)]. This procedure yields reasonable predictions of elastic constants for both bcc Fe and fcc Ni using input parameters from molecular dynamics simulations. The application of the model to two-dimensional square lattices is also briefly examined.

  9. Cubic colloids : Synthesis, functionalization and applications

    NARCIS (Netherlands)

    Castillo, S.I.R.

    2015-01-01

    This thesis is a study on cubic colloids: micron-sized cubic particles with rounded corners (cubic superballs). Owing to their shape, particle packing for cubes is more efficient than for spheres and results in fascinating phase and packing behavior. For our cubes, the particle volume fraction when

  10. Cubic colloids : Synthesis, functionalization and applications

    NARCIS (Netherlands)

    Castillo, S.I.R.

    2015-01-01

    This thesis is a study on cubic colloids: micron-sized cubic particles with rounded corners (cubic superballs). Owing to their shape, particle packing for cubes is more efficient than for spheres and results in fascinating phase and packing behavior. For our cubes, the particle volume fraction when

  11. Solving Cubic Equations by Polynomial Decomposition

    Science.gov (United States)

    Kulkarni, Raghavendra G.

    2011-01-01

    Several mathematicians struggled to solve cubic equations, and in 1515 Scipione del Ferro reportedly solved the cubic while participating in a local mathematical contest, but did not bother to publish his method. Then it was Cardano (1539) who first published the solution to the general cubic equation in his book "The Great Art, or, The Rules of…

  12. Cubic Icosahedra? A Problem in Assigning Symmetry

    Science.gov (United States)

    Lloyd, D. R.

    2010-01-01

    There is a standard convention that the icosahedral groups are classified separately from the cubic groups, but these two symmetry types have been conflated as "cubic" in some chemistry textbooks. In this note, the connection between cubic and icosahedral symmetries is examined, using a simple pictorial model. It is shown that octahedral and…

  13. Migration mechanism for oversized solutes in cubic lattices: The case of yttrium in iron

    Science.gov (United States)

    Bocquet, Jean-Louis; Barouh, Caroline; Fu, Chu-Chun

    2017-06-01

    Substitutional solutes in metals generally diffuse by successive exchanges with vacancies, that is, via the so called vacancy mechanism. However, recent density functional theory (DFT) calculations predicted an atypical behavior for the oversized solute atoms (OSAs) in bcc and fcc iron. These solutes exhibit a very strong attraction with a nearby vacancy (V) at a first neighbor (1nn) distance. The attraction is so large that the 1nn OSA-V pair is no longer stable and relaxes spontaneously towards a new configuration where the OSA sits in the middle of the two half-vacancies (V/2). As a consequence, the diffusion of OSAs cannot be described by the standard vacancy mechanism. A new migration mechanism with a new formulation of correlation effects is required. The present study rests on a revised expression of the diffusion coefficient of the OSAs in bcc and fcc lattices, which introduces the concept of macrojumps. The formalism is applied presently to the case of yttrium (Y: a principal alloying element of advanced steels) in iron, using DFT data. But it is directly transferable to other OSAs in cubic metal lattices. At variance with the standard substitutional solutes, the Y atom is found to diffuse more rapidly than iron at all temperatures by orders of magnitude in the two cubic-Fe structures. This finding is opposite to the recent common belief that yttrium is a slow diffusing species in Fe alloys, based on experimental evidences. Several suggestions are proposed to solve this apparent inconsistency.

  14. Color Octet Electron Search Potential of the FCC Based e-p Colliders

    CERN Document Server

    Acar, Y C; Oner, B B; Sultansoy, S

    2016-01-01

    Resonant production of color octet electron, e_{8}, at the FCC based ep colliders has been analyzed. It is shown that e-FCC will cover much a wider region of e_{8} masses compared to the LHC. Moreover, with highest electron beam energy, e_{8} search potential of the e-FCC exceeds that of FCC pp collider. If e_{8} is discovered earlier by the FCC pp collider, e-FCC will give opportunity to handle very important additional information. For example, compositeness scale can be probed up to hundreds TeV region.

  15. Development of FCC Naphtha Hydrodesulfurization and Aromatization Process

    Institute of Scientific and Technical Information of China (English)

    Zhu Huaxing; Zhu Jianhua; Liu Jinlong; Sun Diancheng; Gong Xuhui

    2005-01-01

    This articles refers to the development of the technology for hydrodesulfurization (HDS) and aromatization of FCC naphtha This technology adopts a catalyst with aromatization performance, which does not reduce the octane rating of gasoline in the course of HDS of FCC naphtha. Experimental results have shown that the sulfur removal rate of FCC naphtha could reach over 85%, with the RON of gasoline increased by 0.2-0.6 units, the MON increased by 1.3-1.8 units and the antiknock index of the gasoline increased by around one unit. The total C5+ liquid yield was over 95%. The activity of regenerated catalyst could be restored to be equal to that of fresh one after coke burning on the spent catalyst.

  16. Cubic metaplectic forms and theta functions

    CERN Document Server

    Proskurin, Nikolai

    1998-01-01

    The book is an introduction to the theory of cubic metaplectic forms on the 3-dimensional hyperbolic space and the author's research on cubic metaplectic forms on special linear and symplectic groups of rank 2. The topics include: Kubota and Bass-Milnor-Serre homomorphisms, cubic metaplectic Eisenstein series, cubic theta functions, Whittaker functions. A special method is developed and applied to find Fourier coefficients of the Eisenstein series and cubic theta functions. The book is intended for readers, with beginning graduate-level background, interested in further research in the theory of metaplectic forms and in possible applications.

  17. Impact of FCC regenerator design in the NOx emissions

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, Hugo Borges; Sandes, Emanuel Freire; Gilbert, William Richard; Roncolatto, Rodolfo Eugenio; Gobbo, Rodrigo; Casavechia, Luiz Carlos; Candido, William Victor Carlos [Petroleo Brasileiro S.A. (PETROBRAS), Rio de Janeiro, RJ (Brazil); Bridi, Patricia Elaine [Possebon Engenharia, Sao Mateus do Sul, PR (Brazil)

    2012-07-01

    Fluid Catalytic Cracking (FCC) is the main point source of NOx in the refinery and it is responsible for at least 20% of the total NOx emissions from the refineries. The thermal NOx formation in the FCC regenerator is negligible. However, half of the feed nitrogen is converted to coke, and is burned in the regenerator. The majority of coke nitrogen is reduced to N2 and less than 10% is converted to NOx. This number may vary significantly with the oxygen excess in the flue gas and other operational conditions. With the purpose of evaluating the impact of different regenerator designs in NOx formation, several tests were carried out in the PETROBRAS FCC prototype unit. The test unit is equipped with adiabatic insulation and a CO boiler, allowing it to reproduce the heat balance of a commercial FCC and to operate either in full combustion or partial combustion. Two different designs of FCC regenerators were evaluated: single stage regenerator (the existing configuration) and two stage regenerator, with the catalyst bed divided into two sections by a structured packing baffle. It was observed in the tests that the combustion regime had a very strong effect on NOx formation. In full combustion, the effect of the FCC operating variables: excess oxygen, combustion promoter content in catalyst and regenerator design could be identified. The two stage configuration was capable of decreasing NOx emissions by 30%. In partial combustion, the effect of the CO-boiler variables on NOx emissions was overwhelming, but the use of the structured packing baffle was able to improve the catalyst regeneration.(author)

  18. FCC FAMILY TECHNOLOGY BRIDGING PETROLEUM REFINING WITH PETROCHEMICAL INDUSTRY

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    FCC family technologies,such as DCC,MGG and CPP,take the advantages of both thermal and catalytic reactions. A zeolite containing material is acted as heat carrier and catalyst as well. Versatile objectives can be achieved through regulating the catalyst formulation and optimizing the process variables. The ethylene,propylene and isobutylene yields from these FCC family technologies can be 24.3%, 22.9% and 6.1%,respectively,with heavy feeds. The cracked naphtha is rich in toluene and xylenes.

  19. Impact of magnetic fluctuations on lattice excitations in fcc nickel.

    Science.gov (United States)

    Körmann, Fritz; Ma, Pui-Wai; Dudarev, Sergei L; Neugebauer, Jörg

    2016-02-24

    The spin-space averaging formalism is applied to compute atomic forces and phonon spectra for magnetically excited states of fcc nickel. Transverse and longitudinal magnetic fluctuations are taken into account by a combination of magnetic special quasi random structures and constrained spin-density-functional theory. It turns out that for fcc Ni interatomic force constants and phonon spectra are almost unaffected by both kinds of spin fluctuations. Given the computational expense to simulate coupled magnetic and atomic fluctuations, this insight facilitates computational modeling of magnetic alloys such as Ni-based superalloys.

  20. Quantitative comparison between simulated and experimental FCC rolling textures

    DEFF Research Database (Denmark)

    Wronski, M.; Wierzbanowski, K.; Leffers, Torben

    2015-01-01

    The degree of similarity between simulated and experimental fcc rolling textures is characterized by a single scalar parameter. The textures are simulated with a relatively simple and efficient 1-point model which allows us to vary the strength of the interaction between the grains and the surrou......The degree of similarity between simulated and experimental fcc rolling textures is characterized by a single scalar parameter. The textures are simulated with a relatively simple and efficient 1-point model which allows us to vary the strength of the interaction between the grains...

  1. Weighted cubic and biharmonic splines

    Science.gov (United States)

    Kvasov, Boris; Kim, Tae-Wan

    2017-01-01

    In this paper we discuss the design of algorithms for interpolating discrete data by using weighted cubic and biharmonic splines in such a way that the monotonicity and convexity of the data are preserved. We formulate the problem as a differential multipoint boundary value problem and consider its finite-difference approximation. Two algorithms for automatic selection of shape control parameters (weights) are presented. For weighted biharmonic splines the resulting system of linear equations can be efficiently solved by combining Gaussian elimination with successive over-relaxation method or finite-difference schemes in fractional steps. We consider basic computational aspects and illustrate main features of this original approach.

  2. Evaluation of 2,4-D removal via activated carbon from pomegranate husk/polymer composite hydrogel: Optimization of process parameters through face centered composite design

    Energy Technology Data Exchange (ETDEWEB)

    Taktak, Fulya; Ilbay, Zeynep [Usak Univ, Usak (Turkmenistan); Sahin, Selin [Istanbul University, Istanbul (Turkmenistan)

    2015-09-15

    A new type of polymer composite hydrogel was prepared by introducing activated carbons from pomegranate husk into poly ((2-dimethylamino) ethyl methacrylate) network. The removal of 2,4-dichlorophenoxyacetic acid (2,4-D) from aqueous solution was studied with respect to pH of the media, initial 2,4-D concentration and activated carbon content into the polymeric network. Face centered composite design (FCCD) through response surface methodology (RSM) was used for designing the experiments as well as for studying the effects of the process parameters. A quadratic model and a two factor interaction design model were developed for the removal of 2,4-D and adsorption capacity, respectively. The optimum pH of the pesticide solution, activated carbon content into the polymeric network and initial concentration of 2,4-D were found as 3, 2.5 wt% and 100mg/L. 63.245% and 68.805 (mg/g) for the removal of 2,4-D and adsorption capacity were obtained by using Simplex optimization method. Furthermore, the surface characteristics of the adsorbent prepared under optimized conditions were examined by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR).

  3. Transparent polycrystalline cubic silicon nitride

    Science.gov (United States)

    Nishiyama, Norimasa; Ishikawa, Ryo; Ohfuji, Hiroaki; Marquardt, Hauke; Kurnosov, Alexander; Taniguchi, Takashi; Kim, Byung-Nam; Yoshida, Hidehiro; Masuno, Atsunobu; Bednarcik, Jozef; Kulik, Eleonora; Ikuhara, Yuichi; Wakai, Fumihiro; Irifune, Tetsuo

    2017-01-01

    Glasses and single crystals have traditionally been used as optical windows. Recently, there has been a high demand for harder and tougher optical windows that are able to endure severe conditions. Transparent polycrystalline ceramics can fulfill this demand because of their superior mechanical properties. It is known that polycrystalline ceramics with a spinel structure in compositions of MgAl2O4 and aluminum oxynitride (γ-AlON) show high optical transparency. Here we report the synthesis of the hardest transparent spinel ceramic, i.e. polycrystalline cubic silicon nitride (c-Si3N4). This material shows an intrinsic optical transparency over a wide range of wavelengths below its band-gap energy (258 nm) and is categorized as one of the third hardest materials next to diamond and cubic boron nitride (cBN). Since the high temperature metastability of c-Si3N4 in air is superior to those of diamond and cBN, the transparent c-Si3N4 ceramic can potentially be used as a window under extremely severe conditions. PMID:28303948

  4. Fcc-bcc transition for Yukawa interactions determined by applied strain deformation

    OpenAIRE

    Hoy, Robert S.; Robbins, Mark O.

    2004-01-01

    Calculations of the work required to transform between bcc and fcc phases yield a high-precision bcc-fcc transition line for monodisperse point Yukawa (screened-Couloumb) systems. Our results agree qualitatively but not quantitatively with previously published simulations and phenomenological criteria for the bcc-fcc transition. In particular, the bcc-fcc-fluid triple point lies at a higher inverse screening length than previously reported.

  5. Effect of hydrotreating FCC feedstock on product distribution

    Energy Technology Data Exchange (ETDEWEB)

    Salazar-Sotelo, D.; Maya-Yescas, R.; Mariaca-Dominguez, E.; Rodriguez-Salomon, S.; Aguilera-Lopez, M. [Programa de Tratamiento de Crudo Maya, Instituto Mexicano del Petroleo, Lazaro Cardenas 152, San Bartolo Atepehuacan, 07730 Mexico, D.F. (Mexico)

    2004-11-24

    The demand of low-sulfur fuels has been increasing during the last 20 years due to environmental concerns about SO{sub x} emissions from processing plants and engines. Due to its high contribution to the gasoline pool, hydrotreating fluid catalytic cracking (FCC) feedstock offers several advantages, such as the increase of conversion and yields of gasoline and liquid-phase gas, meanwhile sulfur content in fuels is diminished. However, there are more important factors to be considered when hydrotreating FCC feedstock.In this work, two FCC feedstocks, typical and hydrotreated, were converted in a microactivity test (MAT) reactor, as described by ASTM D-3907-92, at different severities and using two commercial catalysts. Feedstock conversion, product yields and selectivity to valuable products were compared against industrial-scale results predicted by using commercial FCC simulation software. Expected increment in conversion and yield to profitable products was observed when hydrotreated feedstock was used; simulation results follow acceptably MAT results. Some recommendations are given for looking closely at the overall behavior (riser-regenerator), using reliable kinetic models and simulation programs.

  6. QCD and $\\gamma\\,\\gamma$ studies at FCC-ee

    CERN Document Server

    Skands, Peter

    2016-01-01

    The Future Circular Collider (FCC) is a post-LHC project aiming at searches for physics beyond the SM in a new 80--100~km tunnel at CERN. Running in its first phase as a very-high-luminosity electron-positron collider (FCC-ee), it will provide unique possibilities for indirect searches of new phenomena through high-precision tests of the SM. In addition, by collecting tens of ab$^{-1}$ integrated luminosity in the range of center-of-mass energies $\\sqrt{s}$~=90--350~GeV, the FCC-ee also offers unique physics opportunities for precise measurements of QCD phenomena and of photon-photon collisions through, literally, billions of hadronic final states as well as unprecedented large fluxes of quasireal $\\gamma$'s radiated from the $\\rm e^+e^-$ beams. We succinctly summarize the FCC-ee perspectives for high-precision extractions of the QCD coupling, for detailed analyses of parton radiation and fragmentation, and for SM and BSM studies through $\\gamma\\gamma$ collisions.

  7. DISLOCATION STRUCTURE OF FCC COPPER/BCC IRON INTERPHASE INTERFACES

    OpenAIRE

    C Forwood

    1990-01-01

    The Burgers vectors and geometry of the interfacial dislocation structure in fcc/bcc interfaces in a Cu+25 wt.% Fe alloy are analysed using TEM and the technique of image matching. The Burgers vectors are shown to be differences of the Cu and Fe lattice vectors and the interfacial structure is interpreted in terms of a CSL/DSC model.

  8. Cross-twinning model of fcc crystal growth

    NARCIS (Netherlands)

    Waal, van de Benjamin W.

    1996-01-01

    The theory developed in 1960 by Wagner, Hamilton and Seidensticker (WHS-theory) to explain observed crystal growth phenomena in Ge is critically reviewed and shown to be capable of explaining preservation of ABC stacking order in two dimensions in fcc crystals of effectively spherical closed shell m

  9. FCC-hh Hadron Collider - Parameter Scenarios and Staging Options

    CERN Document Server

    Benedikt, Michael; Schulte, Daniel; Zimmermann, F; Syphers, M J

    2015-01-01

    FCC-hh is a proposed future energy-frontier hadron collider, based on dipole magnets with a field around 16 T installed in a new tunnel with a circumference of about 100 km, which would provide proton collisions at a centre-of-mass energy of 100 TeV, as well as heavy-ion collisions at the equivalent energy. The FCC-hh should deliver a high integrated proton-proton luminosity at the level of several 100 fb−1 per year, or more. The challenges for operating FCC-hh with high beam current and at high luminosity include the heat load from synchrotron radiation in a cold environment, the radiation from collision debris around the interaction region, and machine protection. In this paper, starting from the FCC-hh design baseline parameters we explore different approaches for increasing the integrated luminosity, and discuss the impact of key individual pa- rameters, such as the turnaround time. We also present some injector considerations and options for early hadron-collider operation.

  10. Deformation microstructure and orientation of F.C.C. crystals

    DEFF Research Database (Denmark)

    Liu, Q.; Hansen, N.

    1995-01-01

    The effect of crystallographic orientation on the microstructural evolution in f.c.c. metals with medium to high stacking fault energy is analyzed. This analysis is based on a literature review of the behaviour of single crystals and polycrystals supplemented with an experimental study of cold...

  11. 47 CFR 97.27 - FCC modification of station license grant.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false FCC modification of station license grant. 97... RADIO SERVICES AMATEUR RADIO SERVICE General Provisions § 97.27 FCC modification of station license grant. (a) The FCC may modify a station license grant, either for a limited time or for the duration...

  12. Congress, the FCC and Children's Television Regulation: A Shift in the Balance of Power.

    Science.gov (United States)

    Markin, Karen

    The Federal Communications Commission (FCC) of the late 1980s appeared to pursue its own agenda of broadcast deregulation, notwithstanding congressional pressures. The apparent power shift is evident in a case study of the interactions between Congress and the FCC on the subject of children's television. In the early 1970s, the FCC tended to…

  13. 47 CFR 11.21 - State and Local Area plans and FCC Mapbook.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false State and Local Area plans and FCC Mapbook. 11... (EAS) General § 11.21 State and Local Area plans and FCC Mapbook. EAS plans contain guidelines which... are consistent with national plans, FCC regulations, and EAS operation. (a) The State plan...

  14. 47 CFR 73.1226 - Availability to FCC of station logs and records.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Availability to FCC of station logs and records... Availability to FCC of station logs and records. The following shall be made available to any authorized representative of the FCC upon request: (a) Station records and logs shall be made available for inspection...

  15. 47 CFR 0.409 - Commission policy on private printing of FCC forms.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false Commission policy on private printing of FCC... ORGANIZATION General Information General § 0.409 Commission policy on private printing of FCC forms. The Commission has established a policy regarding the printing of blank FCC forms by private companies if...

  16. 76 FR 12308 - Modernizing the FCC Form 477 Data Program; Correction

    Science.gov (United States)

    2011-03-07

    ... COMMISSION 47 CFR Parts 1, 20, and 43 Modernizing the FCC Form 477 Data Program; Correction AGENCY: Federal... FCC Form 477. Inadvertently the Comment Filing Procedures section of the February 28, 2011 publication... February 28, 2011 (76 FR 10827) relating to the modernization of the FCC Form 477. The document (FR...

  17. Commercial Test of Multi-functional Desulfurizing Agent TS-01 for Gasoline in FCC Process

    Institute of Scientific and Technical Information of China (English)

    Cai Zhi; Wu Yingjian; Yu Weisheng

    2003-01-01

    Experimental use of multi-functional desulfurizing agent TS-01 for FCC gasoline in the FCC unitof SINOPEC Jiujiang Company shows that the multi-functional desulfurizing agent can effectivelyremove various kinds of sulfur in FCC gasoline and diesel fuel and fulfill passivation on heavy metals.

  18. Tame Kernels of Pure Cubic Fields

    Institute of Scientific and Technical Information of China (English)

    Xiao Yun CHENG

    2012-01-01

    In this paper,we study the p-rank of the tame kernels of pure cubic fields.In particular,we prove that for a fixed positive integer m,there exist infinitely many pure cubic fields whose 3-rank of the tame kernel equal to m.As an application,we determine the 3-rank of their tame kernels for some special pure cubic fields.

  19. Two-dimensional cubic convolution.

    Science.gov (United States)

    Reichenbach, Stephen E; Geng, Frank

    2003-01-01

    The paper develops two-dimensional (2D), nonseparable, piecewise cubic convolution (PCC) for image interpolation. Traditionally, PCC has been implemented based on a one-dimensional (1D) derivation with a separable generalization to two dimensions. However, typical scenes and imaging systems are not separable, so the traditional approach is suboptimal. We develop a closed-form derivation for a two-parameter, 2D PCC kernel with support [-2,2] x [-2,2] that is constrained for continuity, smoothness, symmetry, and flat-field response. Our analyses, using several image models, including Markov random fields, demonstrate that the 2D PCC yields small improvements in interpolation fidelity over the traditional, separable approach. The constraints on the derivation can be relaxed to provide greater flexibility and performance.

  20. Ginzburg-Landau-type multiphase field model for competing fcc and bcc nucleation.

    Science.gov (United States)

    Tóth, G I; Morris, J R; Gránásy, L

    2011-01-28

    We address crystal nucleation and fcc-bcc phase selection in alloys using a multiphase field model that relies on Ginzburg-Landau free energies of the liquid-fcc, liquid-bcc, and fcc-bcc subsystems, and determine the properties of the nuclei as a function of composition, temperature, and structure. With a realistic choice for the free energy of the fcc-bcc interface, the model predicts well the fcc-bcc phase-selection boundary in the Fe-Ni system.

  1. New FCC Mg–Zr and Mg–Zr–ti deuterides obtained by reactive milling

    Energy Technology Data Exchange (ETDEWEB)

    Guzik, Matylda N., E-mail: matylda.guzik@ife.no; Deledda, Stefano; Sørby, Magnus H.; Yartys, Volodymyr A.; Hauback, Bjørn C.

    2015-03-15

    Results for binary Mg–Zr and ternary Mg–Zr–Ti mixtures ball milled at room temperature under reactive deuterium atmosphere (5.6–6.7 MPa) are reported. X-ray and neutron powder diffraction combined with Rietveld refinements show that two new cubic phases were formed during milling. Mg{sub 0.40}Zr{sub 0.60}D{sub 1.78} and Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98} crystallize with disordered face centered cubic metal atom arrangements. Results of differential scanning calorimetry and termogravimetric measurements demonstrate that both deuterides desorb deuterium at lower temperatures than MgD{sub 2}, ZrD{sub 2} or TiD{sub 2}; 528 and 575 K in the Mg–Zr–D and Mg–Zr–Ti–D system, respectively. Interestingly, Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98} stores deuterium reversibly at 673 K and 10 MPa of D{sub 2}. - Graphical abstract: High resolution SR-PXD patterns obtained for Mg{sub 0.40}Zr{sub 0.60}D{sub 1.78} and first time reported Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98}. - Highlights: • Synthesis and characterization of Mg{sub 0.40}Zr{sub 0.60}D{sub 1.78} and Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98}. • New deuterides obtained by milling under H{sub 2} gas pressure in the order of a few MPa. • Phases desorb deuterium at temperature lower than corresponding binary deuterides. • Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98} stores hydrogen reversibly at 673 K and 10 MPa of D{sub 2}.

  2. Cubical local partial orders on cubically subdivided spaces - Existence and construction

    DEFF Research Database (Denmark)

    Fajstrup, Lisbeth

    2006-01-01

    The geometric models of higher dimensional automata (HDA) and Dijkstra's PV-model are cubically subdivided topological spaces with a local partial order. If a cubicalization of a topological space is free of immersed cubic Möbius bands, then there are consistent choices of direction in all cubes...

  3. Cubical local partial orders on cubically subdivided spaces - existence and construction

    DEFF Research Database (Denmark)

    Fajstrup, Lisbeth

    The geometric models of Higher Dimensional Automata and Dijkstra's PV-model are cubically subdivided topological spaces with a local partial order. If a cubicalization of a topological space is free of immersed cubic Möbius bands, then there are consistent choices of direction in all cubes...

  4. CLASSIFICATION OF CUBIC PARAMETERIZED HOMOGENEOUS VECTOR FIELDS

    Institute of Scientific and Technical Information of China (English)

    Karnal H.Yasir; TANG Yun

    2002-01-01

    In this paper the cubic homogeneous parameterized vector fields are studied.The classification of the phase portrait near the critical point is presented. This classification is an extension of the result given by Takens to the cubic homogeneous parameterized vector fields with six parameters.

  5. CLASSIFICATION OF CUBIC PARAMETERIZED HOMOGENEOUS VECTOR FIELDS

    Institute of Scientific and Technical Information of China (English)

    KamalH.Yasir; TNAGYun

    2002-01-01

    In this paper the cubic homogeneous parameterized vector fields are studied.The classification of the phase portrait near the critical point is presented.This classification is an extension of the result given by takens to the cubic homogeneous parameterized vector fields with six parameters.

  6. Magnetization and Coercivity in Ferromagnetic Films with Cubic Lattices%具有立方格点结构的铁磁薄膜的磁化强度和矫顽力

    Institute of Scientific and Technical Information of China (English)

    袁敏; 张君霞; 陈洪

    2005-01-01

    Using the variational cumulant expansion, the authors examine the magnetization and coercivity for spin1/2 ferromagnetic films of simple cubic, body-centered-cubic and face-centered-cubic lattices. It is shown that the magnetization and coercivity depend on the lattice structures as well as the temperature and the number of spin layers in the film.%使用变分累积展开法.计算了简单立方、体心立方、面心立方格点上自旋1/2的铁磁薄膜的磁化强度和矫玩力.显示磁化强度和矫顽力不仅依赖于温度和自旋层数,而且还依赖于格点结构.

  7. The FCC-ee design study: luminosity and beam polarization

    CERN Document Server

    Koratzinos, M

    2015-01-01

    The FCC-ee accelerator is considered within the FCC design study as a possible first step towards the ultimate goal of a 100 TeV hadron collider. It is a high luminosity e+e- storage ring collider, designed to cover energies of around 90, 160, 240 and 350GeV ECM (for the Z peak, the WW threshold, the ZH and ttbar cross-section maxima respectively) leading to different operating modes. We report on the current status of the design study, on the most promising concepts and relevant challenges. The expected luminosity performance at all energies, and first studies on transverse polarization for beam energy calibrations will be presented.

  8. Martensitic transformation fcc(γ)→hcp(ε)

    Institute of Scientific and Technical Information of China (English)

    徐祖耀

    1997-01-01

    Criteria of the thermoelastic martensitic transformation are suggested, on the basis of which the martensitic transformation fcc(γ)→hcp(ε) in Fe-Mn-Si based alloys is classified as a semi-thermoelastic transformation In contrast with the martensitic transformation fcc(γ)→bct(bcc)α’ in iron-based alloys, the thermoelastic transformation in Cu-based alloys and the t→m transformation in ceramics containing ZrO2, in γ→ε of Fe-Mn-Si, the strengthening and grain size of the parent phase will not markedly affecl the Ms and the internal friction peak indicating the martensitic Transformation does not correspond to a significant lowering of the elastic modulus, implying that the nucleation of ε-martensite may occur directly through the stacking fault and may not strongly depend on soft mode. A comparison between the thermal and stress induced ε martensites is made and a brief discussion is given.

  9. Advance on dynamic aperture at injection for FCC-hh

    CERN Document Server

    Dalena, Barbara; Chance, Antoine

    2017-01-01

    In the Hadron machine option, proposed in the context of the Future Circular Colliders (FCC) study, the first evaluation of dipole field quality, based on the Nb$_{3}$Sn technology, has shown a Dynamic Aperture at injection above the LHC target value. In this paper the effect of field imperfections on the dynamic aperture, using the updated lattice design, is presented. Tolerances on the main multipole components are evaluated including feed-down effect.

  10. FCC-ee final focus with chromaticity correction

    CERN Document Server

    Garcia, H; Tomás, R

    2014-01-01

    A 100 km circular electron-positron collider is considered as one of the possible future high energy facilities. In order to achieve a high luminosity, strong beam focusing at the Interaction Point (IP) is used requiring the correction of the chromatic aberrations. In this paper we study preliminary designs of a Final Focus System (FFS) for the FCC-ee collider with chromatic correction. Beam orbit stability and dynamic aperture calculations are also presented.

  11. Volume variation of Gruneisen parameters of fcc transition metals

    Indian Academy of Sciences (India)

    C V Pandya; P R Vyas; T C Pandya; V B Gohel

    2002-02-01

    The volume variation of the Gruneisen parameters of ten fcc transition metals, up to 40% compression, has been studied on the basis of a model approach proposed by Antonov et al. The results are reasonably good for six metals except for Rh, Ag, Au and Ni when compared with available experimental and other theoretical values. The model requires an appropriate modification for Rh, Ag, Au and Ni.

  12. Dynamic Aperture Studies for the FCC-ee

    CERN Document Server

    Medina, L; Tomas, R; Zimmermann, F

    2015-01-01

    Dynamic aperture (DA) studies have been conducted on the latest Future Circular Collider – ee (FCC-ee) lattices as a function of momentum deviation.Two different schemes for the interaction region are used, which are connected to the main arcs: the crab waist approach, developed by BINP, and an update to the CERN design where the use of crab cavities is envisioned. The results presented show an improvement in the performance of both designs.

  13. Physics Perspectives for a Future Circular Collider: FCC-ee

    CERN Document Server

    CERN. Geneva

    2017-01-01

    The lectures will briefly discuss the parameters of a Future Circular Collider, before addressing in detail the physics perspectives and the challenges for the experiments and detector systems. The main focus will be on ee and pp collisions, but opportunities for e—p physics will also be covered. The FCC physics perspectives will be presented with reference to the ongoing LHC programme, including the physics potential from future upgrades to the LHC in luminosity and possibly energy.  

  14. First results for a FCC-hh ring optics design

    CERN Document Server

    Chance, Antoine; Payet, Jacques; Alemany Fernandez, Reyes; Holzer, Bernhard; Schulte, Daniel

    2015-01-01

    The first order considerations of the optics for the FCC-hh ring are presented. The arc cell is generated taking into account some general considerations like the whole circumference, maximum gradients and lengths of the elements in the cell. The integration of the insertion regions started. Three types of Dispersion Suppressors (DIS) are studied. The sensitivity of the arc parameters to these layout considerations is studied in more detail. An alternative layout is shown as well.

  15. Magnetism in bcc and fcc Fe with carbon and manganese

    Energy Technology Data Exchange (ETDEWEB)

    Medvedeva, N I [Institute of Solid State Chemistry, Yekaterinburg 620990 (Russian Federation); Van Aken, D [Department of Materials Science and Engineering, Missouri University of Science and Technology, Rolla, MO 65409 (United States); Medvedeva, J E [Department of Physics, Missouri University of Science and Technology, Rolla, MO 65409 (United States)

    2010-08-11

    Density functional theory calculations were performed to study the structure and magnetic properties of bcc ({alpha}) and fcc ({gamma}) Fe with 3 at.% carbon and manganese impurities. We find that all bcc-based Fe, Fe-C and Fe-Mn-C phases exhibit a ferromagnetic (FM) ground state, while the antiferromagnetic double-layer (AFMD) state is lowest in energy within the collinear spin approach in fcc Fe, Fe-C and Fe-Mn-C phases. However, the carbon and manganese impurities affect the local magnetic interactions significantly. The states with opposite manganese magnetic moments are quasi-degenerate in bcc Fe-Mn alloy, whereas octa-site carbon stabilizes ferromagnetic coupling of the nearest manganese atom with the Fe host. We demonstrate that the antiferromagnetic (AFM) fcc Fe-C and Fe-Mn-C alloys are intrinsically inhomogeneous magnetic systems. Carbon frustrates the local magnetic order by reorientation of magnetic moments of the nearest Mn and Fe atoms, and favors their ferromagnetic coupling. The competition between ferromagnetic and antiferromagnetic Fe-Fe and Fe-Mn interactions and the local magnetovolume instability near carbon may give rise to the spin-glass-like regions observed in austenitic Fe-Mn-C alloys.

  16. Magnetism in bcc and fcc Fe with carbon and manganese.

    Science.gov (United States)

    Medvedeva, N I; Van Aken, D; Medvedeva, J E

    2010-08-11

    Density functional theory calculations were performed to study the structure and magnetic properties of bcc (α) and fcc (γ) Fe with 3 at.% carbon and manganese impurities. We find that all bcc-based Fe, Fe-C and Fe-Mn-C phases exhibit a ferromagnetic (FM) ground state, while the antiferromagnetic double-layer (AFMD) state is lowest in energy within the collinear spin approach in fcc Fe, Fe-C and Fe-Mn-C phases. However, the carbon and manganese impurities affect the local magnetic interactions significantly. The states with opposite manganese magnetic moments are quasi-degenerate in bcc Fe-Mn alloy, whereas octa-site carbon stabilizes ferromagnetic coupling of the nearest manganese atom with the Fe host. We demonstrate that the antiferromagnetic (AFM) fcc Fe-C and Fe-Mn-C alloys are intrinsically inhomogeneous magnetic systems. Carbon frustrates the local magnetic order by reorientation of magnetic moments of the nearest Mn and Fe atoms, and favors their ferromagnetic coupling. The competition between ferromagnetic and antiferromagnetic Fe-Fe and Fe-Mn interactions and the local magnetovolume instability near carbon may give rise to the spin-glass-like regions observed in austenitic Fe-Mn-C alloys.

  17. Beam Optics for FCC-ee Collider Ring

    CERN Document Server

    Oide, Katsunobu; Aumon, S; Benedikt, M; Blondel, A; Bogomyagkov, A V; Boscolo, M; Burkhardt, H; Cai, Y; Doblhammer, A; Haerer, B; Holzer, B; Koop, I; Koratzinos, M; Jowett, John M; Levichev, E B; Medina, L; Ohmi, K; Papaphilippou, Y; Piminov, P A; Shatilov, D N; Sinyatkin, S V; Sullivan, M; Wenninger, J; Wienands, U; Zhou, D; Zimmermann, F

    2017-01-01

    A beam optics scheme has been designed [ 1 ] for the Future Circular Collider- e + e − (FCC-ee). The main characteristics of the design are: beam energy 45 to 175 GeV, 100 km circumference with two interaction points (IPs) per ring, horizontal crossing angle of 30 mrad at the IP and the crab-waist scheme [ 2 ] with local chromaticity correction. The crab-waist scheme is implemented within the local chromaticity correction system without additional sextupoles, by reducing the strength of one of the two sextupoles for vertical chromatic correction at each side of the IP. So- called “tapering" of the magnets is applied, which scales all fields of the magnets according to the local beam energy to compensate for the effect of synchrotron radiation (SR) loss along the ring. An asymmetric layout near the interaction region reduces the critical energy of SR photons on the incoming side of the IP to values below 100 keV, while matching the geometry to the beam line of the FCC proton collider (FCC-hh) [ 3 ] as clos...

  18. Attrition Resistant Fischer-Tropsch Catalysts Based on FCC Supports

    Energy Technology Data Exchange (ETDEWEB)

    Adeyiga, Adeyinka

    2010-02-05

    Commercial spent fluid catalytic cracking (FCC) catalysts provided by Engelhard and Albemarle were used as supports for Fe-based catalysts with the goal of improving the attrition resistance of typical F-T catalysts. Catalysts with the Ruhrchemie composition (100 Fe/5 Cu/4.2 K/25 spent FCC on mass basis) were prepared by wet impregnation. XRD and XANES analysis showed the presence of Fe{sub 2}O{sub 3} in calcined catalysts. FeC{sub x} and Fe{sub 3}O{sub 4} were present in the activated catalysts. The metal composition of the catalysts was analyzed by ICP-MS. F-T activity of the catalysts activated in situ in CO at the same conditions as used prior to the attrition tests was measured using a fixed bed reactor at T = 573 K, P = 1.38 MPa and H{sub 2}:CO ratio of 0.67. Cu and K promoted Fe supported over Engelhard provided spent FCC catalyst shows relatively good attrition resistance (8.2 wt% fines lost), high CO conversion (81%) and C{sub 5}+ hydrocarbons selectivity (18.3%).

  19. Concentration Transitions on the Crystalline Lattices

    Directory of Open Access Journals (Sweden)

    N.A. Gorenko

    2014-07-01

    Full Text Available Results of numerical modeling of dilute 2D and 3D crystalline lattices are presented. The percolation thresholds for face-centered cubic (fcc, body-centered cubic (bcc and the simple cubic (sc lattices for the first, second and third coordination spheres are obtained by means of Monte Carlo (MC method. It is shown, that the mean value of the percolation cluster density has a minimum value at the percolation threshold.

  20. Pressure Profile in the experimental area of FCC-hh and FCC-ee calculated by an analytical code

    CERN Multimedia

    Aichinger, Ida

    2017-01-01

    Ultra high vacuum in the beam pipe is a basic requirement for the Future Circular Colliders (FCC). The dimension of the FCC and the high energy of the particles will make this requirement challenging. Simulations that predict the vacuum quality due to material and beam induced effects will allow to evaluate different designs and to choose an optimal solution. The mathematical model behind the simulations will be shown. Four coupled differential equations describe the mass conservation of the residual gas particles in the beam pipe. The sinks include all kind of distributed and local pumping. The sources are caused by synchrotron radiation, electron clouds, thermal outgassing and ion-induced desorption. The equation system is solved by an analytical method. This requires a transformation to first order equations for which a general valid solution exists. Adding a particular solution and the inclusion of appropriate boundary conditions define the solution function. The big advantage here is that an analytical...

  1. Formation of bcc and fcc during the coalescence of free and supported Fe and Ni clusters.

    Science.gov (United States)

    Li, Guojian; Wang, Qiang; Sui, Xudong; Wang, Kai; Wu, Chun; He, Jicheng

    2015-09-07

    The formation of bcc and fcc during the coalescence of free and supported Fe and Ni clusters has been studied by molecular dynamics simulation using an embedded atom method. Structural evolution of the clusters, coalesced under varying temperature, Ni content and substrate conditions, was explored by interatomic energy, snapshots, pair distribution functions and bond order parameters. The results show that the formation of bcc and fcc is strongly related to Ni content, substrate and coalescence temperature. Free clusters coalesced at 1200 K form bcc at lower Ni contents with fcc forming at higher Ni concentrations and no observable coexistence of bcc and fcc. Differences in coalescence at 1000 K result from the coexistence of bcc and fcc within the Ni range of 50-70%. Free clusters supported on disordered Ni substrates were shown to transform from spherical morphology to islands of supported clusters with preferred epitaxial orientation. The Ni content required to form bcc and fcc coexistence on supported clusters at 1000 K decreased to 30-50% Ni. Free clusters possessing bcc and fcc generally stacked along the bcc (110) and fcc (111) facets, whereas supported clusters stacked along the (111) bcc and (100) fcc planes. Structural transformation was induced by clusters containing greater numbers of atoms. Spread over the substrate enhanced interatomic energy, order substrates affect the epitaxial growth direction and increase the melting points of the supported clusters. This study can be used to predict the nature of fcc and bcc formation in Fe-Ni films.

  2. Ultrahard nanotwinned cubic boron nitride.

    Science.gov (United States)

    Tian, Yongjun; Xu, Bo; Yu, Dongli; Ma, Yanming; Wang, Yanbin; Jiang, Yingbing; Hu, Wentao; Tang, Chengchun; Gao, Yufei; Luo, Kun; Zhao, Zhisheng; Wang, Li-Min; Wen, Bin; He, Julong; Liu, Zhongyuan

    2013-01-17

    Cubic boron nitride (cBN) is a well known superhard material that has a wide range of industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by virtue of the Hall-Petch effect--the tendency for hardness to increase with decreasing grain size. Polycrystalline cBN materials are often synthesized by using the martensitic transformation of a graphite-like BN precursor, in which high pressures and temperatures lead to puckering of the BN layers. Such approaches have led to synthetic polycrystalline cBN having grain sizes as small as ∼14 nm (refs 1, 2, 4, 5). Here we report the formation of cBN with a nanostructure dominated by fine twin domains of average thickness ∼3.8 nm. This nanotwinned cBN was synthesized from specially prepared BN precursor nanoparticles possessing onion-like nested structures with intrinsically puckered BN layers and numerous stacking faults. The resulting nanotwinned cBN bulk samples are optically transparent with a striking combination of physical properties: an extremely high Vickers hardness (exceeding 100 GPa, the optimal hardness of synthetic diamond), a high oxidization temperature (∼1,294 °C) and a large fracture toughness (>12 MPa m(1/2), well beyond the toughness of commercial cemented tungsten carbide, ∼10 MPa m(1/2)). We show that hardening of cBN is continuous with decreasing twin thickness down to the smallest sizes investigated, contrasting with the expected reverse Hall-Petch effect below a critical grain size or the twin thickness of ∼10-15 nm found in metals and alloys.

  3. Cubic III-nitrides: potential photonic materials

    Science.gov (United States)

    Onabe, K.; Sanorpim, S.; Kato, H.; Kakuda, M.; Nakamura, T.; Nakamura, K.; Kuboya, S.; Katayama, R.

    2011-01-01

    The growth and characterization of some cubic III-nitride films on suitable cubic substrates have been done, namely, c- GaN on GaAs by MOVPE, c-GaN and c-AlGaN on MgO by RF-MBE, and c-InN and c-InGaN (In-rich) on YSZ by RFMBE. This series of study has been much focused on the cubic-phase purity as dependent on the respective growth conditions and resulting electrical and optical properties. For c-GaN and c-InN films, a cubic-phase purity higher than 95% is attained in spite of the metastable nature of the cubic III-nitrides. However, for c-AlGaN and c-InGaN films, the cubic-phase purity is rapidly degraded with significant incorporation of the hexagonal phase through stacking faults on cubic {111} faces which may be exposed on the roughened growing or substrate surface. It has been shown that the electron mobilities in c-GaN and c-AlGaN films are much related to phase purity.

  4. Perfect cubic texture, structure, and mechanical properties of nonmagnetic copper-based alloy ribbon substrates

    Science.gov (United States)

    Khlebnikova, Yu. V.; Rodionov, D. P.; Gervas'eva, I. V.; Egorova, L. Yu.; Suaridze, T. R.

    2015-03-01

    A sharp cubic texture is formed in a number of copper alloys subjected to cold deformation by rolling by 98.6-99% followed by recrystallization annealing, which opens up fresh opportunities for long thin ribbons made of these alloys to be used as substrates in the production of second-generation high- T c superconductor (2G HTSC) cables. The possibility of creating ternary alloys based on a binary Cu-30 at % Ni alloy with additional elements that harden its fcc matrix (iron, chromium) is shown. The measurements of the mechanical properties of textured ribbons made of these alloys demonstrate that their yield strength is higher than that of a textured ribbon made of pure copper by a factor of 2.5-4.5.

  5. Compression Stress Effect on Dislocations Movement and Crack propagation in Cubic Crystal

    CERN Document Server

    Suprijadi,; Yusfi, Meiqorry

    2012-01-01

    Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this is very important to characterize the material. In FCC crystal structure the competition between crack propagation and dislocation wake is very interesting, in a ductile material like copper (Cu) dislocation can be seen in room temperature, but in a brittle material like Si only cracks can be seen observed. Different techniques were applied to material to study the mechanical properties, in this study we did compression test in one direction. Combination of simulation and experimental on cubic material are reported in this paper. We found that the deflection of crack direction in Si caused by vacancy of lattice,while compression stress on Cu cause the atoms displacement in one direction. Some evidence of dislocation wake in Si crystal under compression stress at high tempera...

  6. Evaluation of multiaxial stress in textured cubic films by x-ray diffraction

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian-Min; Xu Ke-Wei

    2005-01-01

    X-ray diffraction is used extensively to determine the residual stress in bulk or thin film materials on the assumptions that the material is composed of fine crystals with random orientation and the stress state is biaxial and homogeneous through the x-ray penetrating region. The stress is calculated from the gradient of ε~ sin2 ψ linear relation. But the method cannot be used in textured films due to nonlinear relation. In this paper, a novel method is proposed for measuring the multiaxial stresses in cubic films with any [hkl] fibre texture. As an example, a detailed analysis is given for measuring three-dimensional stresses in FCC films with [111] fibre texture.

  7. Deformation twinning in small-sized face-centred cubic single crystals: Experiments and modelling

    Science.gov (United States)

    Liang, Z. Y.; Huang, M. X.

    2015-12-01

    Small-sized crystals generally show deformation behaviour distinct from their bulk counterparts. In addition to dislocation slip, deformation twinning in small-sized face-centred cubic (FCC) single crystals has been reported to follow a different mechanism which involves coherent emission of partial dislocations on successive { 111 } planes from free surface. The present work employed a twinning-induced plasticity (TWIP) steel with a low stacking fault energy to systematically investigate the twin evolution in small-sized FCC single crystals. Micrometre-sized single crystal pillars of TWIP steel were fabricated by focus ion beam and then strained to different levels by compression experiments. Detailed transmission electron microscopy characterization was carried out to obtain a quantitative evaluation of the deformation twins, which contribute to most of the plastic strain. Emissions of partial dislocations from free surface (surface sources) and pre-existing perfect dislocations inside the pillar (inner sources) are found as the essential processes for the formation of deformation twins. Accordingly, a physically-based model, which integrates source introduction methods and source activation criterions for partial dislocation emission, is developed to quantitatively predict the twin evolution. The model is able to reproduce the experimental twin evolution, in terms of the total twin formation, the twin morphology and the occurrence of twinning burst.

  8. Cubic Curves, Finite Geometry and Cryptography

    CERN Document Server

    Bruen, A A; Wehlau, D L

    2011-01-01

    Some geometry on non-singular cubic curves, mainly over finite fields, is surveyed. Such a curve has 9,3,1 or 0 points of inflexion, and cubic curves are classified accordingly. The group structure and the possible numbers of rational points are also surveyed. A possible strengthening of the security of elliptic curve cryptography is proposed using a `shared secret' related to the group law. Cubic curves are also used in a new way to construct sets of points having various combinatorial and geometric properties that are of particular interest in finite Desarguesian planes.

  9. Generalized Vaidya spacetime for cubic gravity

    CERN Document Server

    Ruan, Shan-Ming

    2015-01-01

    We present a kind of generalized Vaidya solutions of a new cubic gravity in five dimensions whose field equations in spherically spacetime are always second order like the Lovelock gravity. We also study the thermodynamics of its apparent horizon and get its entropy expression and generalized Misner-Sharp energy. Finally we present the first law and second law hold in this gravity. Although all the results are analogue to those in Lovelock gravity, we in fact introduce the contribution of new cubic term in five dimensions where cubic Lovelock term is just zero.

  10. Cubical sets as a classifying topos

    DEFF Research Database (Denmark)

    Spitters, Bas

    Coquand’s cubical set model for homotopy type theory provides the basis for a computational interpretation of the univalence axiom and some higher inductive types, as implemented in the cubical proof assistant. We show that the underlying cube category is the opposite of the Lawvere theory of De...... Morgan algebras. The topos of cubical sets itself classifies the theory of ‘free De Morgan algebras’. This provides us with a topos with an internal ‘interval’. Using this interval we construct a model of type theory following van den Berg and Garner. We are currently investigating the precise relation...

  11. 材料类期刊中值得注意的几个问题

    Institute of Scientific and Technical Information of China (English)

    黄劲松; 杨兵; 彭超群

    2002-01-01

    @@ 1. 在金属晶体学中,有3种最常见的晶体结构:BCC(body centered cubic)体心立方, FCC(face centered cubic)面心立方,HCP(hexagonal close packed)密排六方.在来稿中, 有的作者如用小写bcc, fcc, hcp,建议改为大写,如BCC, FCC, HCP,这样更醒目,特别是在英文版中容易与单词相区别.

  12. On the Convergence of the Electronic Structure Properties of the FCC Americium (001) Surface

    OpenAIRE

    Gao, Da; Ray, Asok K.

    2006-01-01

    Electronic and magnetic properties of the fcc Americium (001) surface have been investigated via full-potential all-electron density-functional electronic structure calculations at both scalar and fully relativistic levels. Effects of various theoretical approximations on the fcc Am (001) surface properties have been thoroughly examined. The ground state of fcc Am (001) surface is found to be anti-ferromagnetic with spin-orbit coupling included (AFM-SO). At the ground state, the magnetic mome...

  13. MOVING SCREW DISLOCATION IN CUBIC QUASICRYSTAL

    Institute of Scientific and Technical Information of China (English)

    ZHOU Wang-min; SONG Yu-hai

    2005-01-01

    The elasticity theory of the dislocation of cubic quasicrystals is developed.The governing equations of anti-plane elasticity dynamics problem of the quasicrystals were reduced to a solution of wave equations by introducing displacement functions,and the analytical expressions of displacements, stresses and energies induced by a moving screw dislocation in the cubic quasicrystalline and the velocity limit of the dislocation were obtained. These provide important information for studying the plastic deformation of the new solid material.

  14. 2-rational Cubic Spline Involving Tension Parameters

    Indian Academy of Sciences (India)

    M Shrivastava; J Joseph

    2000-08-01

    In the present paper, 1-piecewise rational cubic spline function involving tension parameters is considered which produces a monotonic interpolant to a given monotonic data set. It is observed that under certain conditions the interpolant preserves the convexity property of the data set. The existence and uniqueness of a 2-rational cubic spline interpolant are established. The error analysis of the spline interpolant is also given.

  15. Semisymmetric Cubic Graphs of Order 162

    Indian Academy of Sciences (India)

    Mehdi Alaeiyan; Hamid A Tavallaee; B N Onagh

    2010-02-01

    An undirected graph without isolated vertices is said to be semisymmetric if its full automorphism group acts transitively on its edge set but not on its vertex set. In this paper, we inquire the existence of connected semisymmetric cubic graphs of order 162. It is shown that for every odd prime , there exists a semisymmetric cubic graph of order 162 and its structure is explicitly specified by giving the corresponding voltage rules generating the covering projections.

  16. Cubical version of combinatorial differential forms

    DEFF Research Database (Denmark)

    Kock, Anders

    2010-01-01

    The theory of combinatorial differential forms is usually presented in simplicial terms. We present here a cubical version; it depends on the possibility of forming affine combinations of mutual neighbour points in a manifold, in the context of synthetic differential geometry.......The theory of combinatorial differential forms is usually presented in simplicial terms. We present here a cubical version; it depends on the possibility of forming affine combinations of mutual neighbour points in a manifold, in the context of synthetic differential geometry....

  17. Structural transformation between bcc and fcc in Fe-Ni nanoparticle during heating process

    Science.gov (United States)

    Li, Guojian; Sui, Xudong; Qin, Xuesi; Ma, Yonghui; Wang, Kai; Wang, Qiang

    2016-10-01

    Phase transformation between bcc and fcc in Fe-Ni nanoparticle has been studied by using molecular dynamics simulation with an embedded atom method. The transformation has been explored by designing the nanoparticles with different initial structures, sizes and elemental distributions at various Ni concentrations. The results show that the structural transformation is strongly related to the Ni content and elemental distribution. Initial fcc structure transforms to bcc for a lower Ni content and bcc transforms to fcc for a higher Ni content. The transformation is accompanied with a sharp reduction in energy even for the nanoparticle with a large size. Furthermore, lattice distortion first occurs before the transformation. The transformation from fcc to bcc is occurred by elongating fcc (100) to bcc (110) and that from bcc to fcc by compressing bcc (110) to fcc (100). The reason is that the nanoparticle has a low energy state for bcc structure with a lower Ni content and also for fcc structure with a higher Ni content. The coexistence of bcc and fcc phases appears with the change of elemental distribution.

  18. FLEXIBLE NEW FCC TECHNOLOGY TO MEET THE EVER CHANGING MARKET DEMAND

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Being a main conversion process,FCC is evolving toward processing more heavier and dirtier feeds,and to produce varied product slates to meet the local market demands.Frequently many of the product demands made on the FCC process operator are seemingly contradictory.However,with the advance of FCC process and catalyst manufacture technology over the past few years,these contradictories can be solved profitbaly.Daqing VR FCC,maximized distillate production(MDP) technique and the maximizing gas and distillate(MGD) process are the examples.Specific data of each example will be revealed and shown on the poster.

  19. Effect of vanadium on the deactivation of FCC catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Roncolatto, R.E.; Lam, Y.L. [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas. Div. de Catalisadores]. E-mail: roncolatto@cenpes.petrobras.com.br; y12@cenpes.petrobras.com.br

    1998-06-01

    This work provides concrete evidence that causes the destruction of the zeolite in the FCC catalysts by a mechanism of acid attack or solid-solid transformation, as well as additional dealumination of the zeolite framework in the presence of steam and at high temperature. While these effects resulted in the reduction in crystallinity (zeolite Y content), specific area and unit cell size of the Y zeolite as the amount of vanadium in the catalysts increased, the reduction in activity was the most pronounced. The differences in these behaviors were interpreted and the model can be used for better catalyst formulation or screening. (author)

  20. Alkali cation specific adsorption onto fcc(111) transition metal electrodes.

    Science.gov (United States)

    Mills, J N; McCrum, I T; Janik, M J

    2014-07-21

    The presence of alkali cations in electrolyte solutions is known to impact the rate of electrocatalytic reactions, though the mechanism of such impact is not conclusively determined. We use density functional theory (DFT) to examine the specific adsorption of alkali cations to fcc(111) electrode surfaces, as specific adsorption may block catalyst sites or otherwise impact surface catalytic chemistry. Solvation of the cation-metal surface structure was investigated using explicit water models. Computed equilibrium potentials for alkali cation adsorption suggest that alkali and alkaline earth cations will specifically adsorb onto Pt(111) and Pd(111) surfaces in the potential range of hydrogen oxidation and hydrogen evolution catalysis in alkaline solutions.

  1. Polarization at TLEP/FCC-ee: ideas and estimates

    CERN Document Server

    Mane, S R

    2014-01-01

    I examine various ideas for radiative polarization at TLEP/FCC-ee and formulate some estimates for the polarization buildup time and the asymptotic polarization. Using wigglers, a useful degree of polarization (for energy calibration), with a time constant of about 1 h, may be possible up to the threshold of $W$ pair production. At higher energies such as the threshold of Higgs production, attaining a useful level of polarization may be difficult in a planar ring. With Siberian Snakes, wigglers and some imagination, polarization of reasonable magnitude, with a reasonable time constant (of not more than about 1 h), may be achievable at very high energies.

  2. Synchrotron radiation backgrounds for the FCC-hh experiments

    CERN Document Server

    Collamati, Francesco; Burkhardt, Helmut; Kersevan, Roberto

    2017-01-01

    In this paper we present a detailed analysis of the Synchrotron Radiation emitted by the 50 TeV protons of the FCC-hh in the last bending and quadrupole magnets upstream of the interaction region. We discuss the characteristics of this radiation in terms of power, flux, photon spectrum and fans with and without crossing angle for comparison. We mainly focus our study on the fraction of photons that may hit the detector, with a full tracking in GEANT4 that simulates the interaction within the central beam pipe.

  3. Polarization Issues in the $e\\pm$ FCC

    Energy Technology Data Exchange (ETDEWEB)

    Gianfelice-Wendt, E.

    2015-08-10

    After the Higgs boson discovery at LHC, the international physics community is considering the next energy frontier circular collider (FCC). A pp collider of 100 km with a center of mass energy of about 100 TeV is believed to have the necessary discovery potential. The same tunnel could host first a e+e- collider with beam energy ranging between 45 and 175 GeV. In this paper preliminary considerations on the possibility of self-polarization for the e± beams are presented.

  4. Enhanced propylene production in FCC by novel catalytic materials

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, C.P.; Harris, D.; Xu, M.; Fu, J. [BASF Catalyst LLC, Iselin, NJ (United States)

    2007-07-01

    Fluid catalytic cracking is expected to increasingly supply the additional incremental requirements for propylene. The most efficient route to increase propylene yield from an FCC unit is through the use of medium pore zeolites such as ZSM-5. ZSM-5 zeolite cracks near linear olefins in the gasoline range to LPG olefins such as propylene and butylenes. This paper will describe catalytic approaches to increase gasoline range olefins and the chemistry of ZSM-5 to crack those olefins. The paper will also describe novel catalytic materials designed to increase propylene. (orig.)

  5. Beam-beam studies for FCC-hh

    CERN Document Server

    Barranco Garcia, Javier; Buffat, Xavier; Furuseth, Sondre Vik

    2017-01-01

    The Future Circular Collider hadron-hadron (FCC-hh) design study is currently exploring different IR design possibilities including round and flat optics or different crossing schemes. The present study intends to evaluate each scenario from the beam-beam effects point of view. In particular the single particle long term stability to maximize beam lifetimes and luminosity reach is used to quantify the differences. The impact of strong head on interactions on the beam quality and lifetime is addressed by means of GPU accelerated simulations code featuring a weak-strong 6-dimensional beam-beam interaction.

  6. EFFECT OF VANADIUM ON THE DEACTIVATION OF FCC CATALYSTS

    Directory of Open Access Journals (Sweden)

    Roncolatto R.E

    1998-01-01

    Full Text Available This work provides concrete evidence that vanadium causes the destruction of the zeolite in the FCC catalysts by a mechanism of acid attack or solid-solid transformation, as well as additional dealumination of the zeolite framework in the presence of steam and at high temperature. While these effects resulted in the reduction in crystallinity (zeolite Y content, specific area and unit cell size of the Y zeolite as the amount of vanadium in the catalysts increased, the reduction in activity was the most pronounced. The differences in these behaviors were interpreted and the model can be used for better catalyst formulation or screening.

  7. Properties of the FCC Catalyst Additive Prepared from Guizhou Kaoline

    Directory of Open Access Journals (Sweden)

    Xianlun Xu

    2006-09-01

    Full Text Available The properties of a FCC catalyst additive prepared from Guizhou kaoline were extensively investigated. The samples were characterized by N2 adsorption, X-ray diffraction, IR spectrometry, and scanning electron microscope (SEM. The results showed that the crystallinity of NaY zeolite synthesized from this kaoline was 25% and the silica alumina ratio was rk/s ˇ m = 5.05. The catalyst additive prepared from above crystallization product exhibited excellent performance of nickel and vanadium passivation, offered 21% lower coke versus base catalyst, while maintaining high bottoms upgrading selectivity.

  8. Investigation of Fatigue Crack Initiation from a Non Metallic Inclusion via High Energy X Ray Diffraction Microscopy (Postprint)

    Science.gov (United States)

    2017-07-14

    heat treated coarse grain variant of RR1000, a polycrystalline Ni-based super- alloy with a face centered cubic (FCC) crystal structure elease (PA...directly used as input into the simulations. The perimeter of the volume in the directions perpendicular to loading had a buffer of a dummy/gas phase (all

  9. Towards a complete photonic band gap in the visible

    NARCIS (Netherlands)

    Velikov, K.P.

    2002-01-01

    The first part of the thesis describes the fabrication and the characterization of face-centered-cubic (fcc) photonic crystals (PCs) of dielectric (core-shell) spheres in a low-dielectric host (air). We demonstrate the synthesis and optical characterization of the PC's building blocks: well-defined

  10. Electrochemical evaluation of Pt-Based binary catalysts on various supports for the direct methanol fuel cell

    CSIR Research Space (South Africa)

    Khotseng, L

    2016-01-01

    Full Text Available patterns similar to that of the Pt/C electrocatalyst, an indication that the catalysts have predominantly the Pt face-centered cubic (fcc) crystal structure. High-resolution transmission electron microscopy (HRTEM) images showed spherical PtRu and Pt...

  11. High Strain-Rate and Quasi-Static Ductile Failure Mechanisms in Porous Materials

    Science.gov (United States)

    2007-11-02

    detailed understanding of the interrelated physical mechanisms that can result in ductile material failure in rate-dependent porous crystalline materials subjected...strains and slip-rates, and hydrostatic stresses on failure paths and ligament damage in face centered cubic (f.c.c.) crystalline materials have been

  12. Operation of FCC with mixtures of regenerated and deactivated catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Spretz, R.; Sedran, U. [INCAPE, FIQ, UNL - CONICET, Instituto de Investigaciones en Catalisis y Petroquimica, Santiago del Estero 2654, 3000 Santa Fe (Argentina)

    2001-07-13

    The operation of FCC with mixtures of coked and regenerated catalyst was studied with a riser simulator reactor on two equilibrium catalysts at 550C. The coked catalysts maintain an activity level that enables them to be used in the mixtures. The catalytic performances of the regenerated catalysts were used as references against which the behaviors of 25:75 and 50:50 (coked:regenerated) mixtures were compared. It was observed that overall catoil has to be increased to maintain conversion. While the yields of gases, gasoline and LCO showed to be independent of the operative mode, changes were observed in the selectivity to light olefins C4-C6 that are mainly due to changes in the yields of the isoparaffins in the groups. In turn, these changes could be the consequence of the resulting density of paired acid sites in the zeolite components on hydrogen transfer reactions, due to the contributions by the coked and regenerated portions of catalysts. Coke yields in mixtures of coked and regenerated catalysts are not higher, which would allow increasing catalyst circulation without impacting on heat balance. The particularities of this new operation of FCC are very dependent on catalyst properties.

  13. Multivariable Control and Online State Estimation of an FCC Unit

    Directory of Open Access Journals (Sweden)

    A. T. Boum

    2015-10-01

    Full Text Available The purpose of this paper is to realize multivariable control , tuning and online state estimation of some parameters of the FCC unit . We implemented two control structures with the manipulated variables being the air inlet flow rate in the regenerator, the regenerated catalyst flow rate and the feed flow rate and, the controlled variable being the temperatures in the riser and in the densed bed of the regenerator. A novel four transfer function is built and used for controllability studies. Hard constraints are imposed with respect to the manipulated variables. Simulation results show that the configuration made of two inputs and two outputs is more easy to tune for control purposes. Althought there are important dynamic interactions between the components of the FCC and important nonlinearities, linear model predictive control is able to maintain a smooth multivariable control of the plant, while taking into account the different constraints. Tuning strategy is implemented to improve the tracking of the set point. Online state estimation is carried out with the use of the extended Kalman filter. The estimation gives results that can be used for monitoring purposes even in the presence of model mismatch.

  14. A method to measure vacuum birefringence at FCC-ee

    CERN Document Server

    Uggerhøj, Ulrik I

    2016-01-01

    It is well-known that the Heisenberg-Euler-Schwinger effective Lagrangian predicts that a vacuum with a strong static electromagnetic field turns birefringent. We propose a scheme that can be implemented at the planned FCC-ee, to measure the nonlinear effect of vacuum birefringence in electrodynamics arising from QED corrections. Our scheme employs a pulsed laser to create Compton backscattered photons off a high energy electron beam, with the FCC-ee as a particularly interesting example. These photons will pass through a strong static magnetic field, which changes the state of polarization of the radiation - an effect proportional to the photon energy. This change will be measured by the use of an aligned single-crystal, where a large difference in the pair production cross-sections can be achieved. In the proposed experimental setup the birefringence effect gives rise to a difference in the number of pairs created in the analyzing crystal, stemming from the fact that the initial laser light has a varying st...

  15. Formation of fivefold axes in the FCC-metal nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Myasnichenko, Vladimir S., E-mail: virtson@gmail.com [Altai State Technical University, 46 Lenina av., Barnaul 656038 (Russian Federation); Starostenkov, Mikhail D. [Altai State Technical University, 46 Lenina av., Barnaul 656038 (Russian Federation)

    2012-11-01

    Highlights: Black-Right-Pointing-Pointer Formation of fcc-metal nanoclusters having the fivefold symmetry. Black-Right-Pointing-Pointer Formation of the cores of icosahedral symmetry in the gold, silver and copper nanoparticles. Black-Right-Pointing-Pointer Construction of bimetallic clusters with icosahedral symmetry and increased fractal dimensionality. - Abstract: Formation of atomistic structures of metallic Cu, Au, Ag clusters and bimetallic Cu-Au clusters was studied with the help of molecular dynamics using the many-body tight-binding interatomic potential. The simulation of the crystallization process of clusters with the number of atoms ranging from 300 to 1092 was carried out. The most stable configurations of atoms in the system, corresponding to the minimum of potential energy, was found during super-fast cooling from 1000 K. Atoms corresponding to fcc, hcp, and Ih phases were identified by the method of common neighbor analysis. Incomplete icosahedral core can be discovered at the intersection of one of the Ih axes with the surface of monometallic cluster. The decahedron-shaped structure of bimetallic Cu-Au cluster with seven completed icosahedral cores was obtained. The principles of the construction of small bimetallic clusters with icosahedral symmetry and increased fractal dimensionality were offered.

  16. Electronic Structure of Crystalline Buckyballs: fcc-C60

    Science.gov (United States)

    Jalali-Asadabadi, Saeid; Ghasemikhah, E.; Ouahrani, T.; Nourozi, B.; Bayat-Bayatani, M.; Javanbakht, S.; Aliabad, H. A. Rahnamaye; Ahmad, Iftikhar; Nematollahi, J.; Yazdani-Kachoei, M.

    2016-01-01

    The electronic properties of pristine fcc-C60 are calculated by utilizing a variety of density functional theory (DFT) approaches including the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA), PBE-GGA+DFT-D3(vdW), Engel and Vosko GGA (EV-GGA), GGA plus Hubbard U parameter (GGA+U), hybrids Becke-Perdew-Wang hybrid functional (B3PW91), Becke-Lee-Yang-Parr hybrid functional (B3LYP), the PBE exchange-correlation functional (PBE0), and Tran and Blaha regular and non-regular modified Becke and Johnson (TB-mBJ) potential within a DFT frame work using augmented plane waves plus local orbital method. The comparison of the calculated results with the experimental values shows that the non-regular TB-mBJ method reproduces a correct experimental direct band gap of 2.12 eV at X symmetry for this compound. The effectiveness of this theoretical approach in the reproduction of the experimental band gap is due to the proper treatment of the electrons in the interstitial region of the crystal. Our results show that the C60 clusters are weakly interacting with each other in the fcc crystal. This study also reveals that the five-fold degeneracies of the isolated C60 molecule due to its icosahedral symmetry are completely lifted at an X symmetry point by the crystal field.

  17. Precision Electroweak measurements at the FCC-ee

    CERN Document Server

    Dam, Mogens

    2016-01-01

    Because of a luminosity of up to five orders of magnitude larger than at LEP, electroweak precision measurements at the FCC-ee -- the Future Circular Collider with electron-positron beams -- would provide improvements by orders of magnitude over the present status and constitute a broad search for the existence of new, weakly interacting particles up to very high energy scales. The FCC-ee will address centre-of-mass energies ranging from below the Z pole to the $\\mathrm{t\\bar{t}}$ threshold and above. At energies around the Z pole, the Z-boson mass and width can be measured to better than 100 keV each. Asymmetry measurements at the Z pole allow improvements in the determination of the weak mixing angle by at least a factor 30 to $\\delta\\sin^2\\theta\\mathrm{_W^{eff}}\\simeq 6\\times 10^{-6}$. A determination of the electromagnetic coupling constant at the Z energy scale, $\\alpha_\\mathrm{QED}(m_\\mathrm{Z}^2)$, to a relative precision of $3\\times 10^{-5}$ can be obtained via measurement of the forward-backward asym...

  18. Iron Contamination Mechanism and Reaction Performance Research on FCC Catalyst

    Directory of Open Access Journals (Sweden)

    Zhaoyong Liu

    2015-01-01

    Full Text Available FCC (Fluid Catalytic Cracking catalyst iron poisoning would not only influence units’ product slate; when the poisoning is serious, it could also jeopardize FCC catalysts’ fluidization in reaction-regeneration system and further cause bad influences on units’ stable operation. Under catalytic cracking reaction conditions, large amount of iron nanonodules is formed on the seriously iron contaminated catalyst due to exothermic reaction. These nodules intensify the attrition between catalyst particles and generate plenty of fines which severely influence units’ smooth running. A dense layer could be formed on the catalysts’ surface after iron contamination and the dense layer stops reactants to diffuse to inner structures of catalyst. This causes extremely negative effects on catalyst’s heavy oil conversion ability and could greatly cut down gasoline yield while increasing yields of dry gas, coke, and slurry largely. Research shows that catalyst’s reaction performance would be severely deteriorated when iron content in E-cat (equilibrium catalyst exceeds 8000 μg/g.

  19. Interpolation by two-dimensional cubic convolution

    Science.gov (United States)

    Shi, Jiazheng; Reichenbach, Stephen E.

    2003-08-01

    This paper presents results of image interpolation with an improved method for two-dimensional cubic convolution. Convolution with a piecewise cubic is one of the most popular methods for image reconstruction, but the traditional approach uses a separable two-dimensional convolution kernel that is based on a one-dimensional derivation. The traditional, separable method is sub-optimal for the usual case of non-separable images. The improved method in this paper implements the most general non-separable, two-dimensional, piecewise-cubic interpolator with constraints for symmetry, continuity, and smoothness. The improved method of two-dimensional cubic convolution has three parameters that can be tuned to yield maximal fidelity for specific scene ensembles characterized by autocorrelation or power-spectrum. This paper illustrates examples for several scene models (a circular disk of parametric size, a square pulse with parametric rotation, and a Markov random field with parametric spatial detail) and actual images -- presenting the optimal parameters and the resulting fidelity for each model. In these examples, improved two-dimensional cubic convolution is superior to several other popular small-kernel interpolation methods.

  20. Cellular Phone Towers - TOWERS_CELLUAR_FCC_ULS_IN: Cellular Towers in Indiana (Bernardin, Lochmueller & Associates, Derived from FCC ULS, Point Shapefile)

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This dataset is a point shapefile of licensed cellular towers downloaded as part of the FCC ULS database of cellular towers in Indiana. The ground condition of this...

  1. First Principles on Spinodal Decomposition of Fcc-Cr1-xSixN%第一性原理计算Fcc-Cr1-xSixN的调幅分解

    Institute of Scientific and Technical Information of China (English)

    高巍; 谢飞

    2010-01-01

    基于通过第一性原理计算方法,计算了三元固溶体Fcc-Cr1-xSixN总能,在此基础上计算了其分离能和调幅分解线.结果说明,Fcc-Cr1-xSixN是亚稳相,能够经调幅分解机制分解为Fcc-CrN和Fcc-SiN.组元相形成的应变能小于分离能,不会抑制Fcc-Cr1-xSixN的调幅分解.Fcc-Cr1-xSixN的Si含量为渗透阈值时,不会发生调幅分解.Fcc-Cr1-xSixN可能经调幅分解生成Fcc-SiN.

  2. Impurity modes in Frenkel exciton systems with dipolar interactions and cubic symmetry.

    Science.gov (United States)

    Avgin, I; Huber, D L

    2013-04-28

    We introduce a continuum model for impurity modes of Frenkel excitons in fully occupied face-centered and body-centered cubic lattices with dipole-dipole interactions and parallel moments. In the absence of impurities, the model reproduces the small-k behavior found in numerical calculations of dipolar lattice sums. The exciton densities of states near the upper and lower band edges are calculated and compared with the corresponding results for a random array of dipoles. The Green function obtained with the continuum model, together with a spherical approximation to the Brillouin zone, is used to determine the conditions for the formation of a localized exciton mode associated with a shift in the transition energy of a single chromophore. The dependence of the local mode energy on the magnitude of the shift is ascertained. The formation of impurity bands at high concentrations of perturbed sites is investigated using the coherent potential approximation. The contribution of the impurity bands to the optical absorption is calculated in the coherent potential approximation. The locations of the optical absorption peaks of the dipolar system are shown to depend on the direction of propagation of the light relative to the dipolar axis, a property that is maintained in the presence of short-range interactions.

  3. The FCC, The Coverage Principle of the Fairness Doctrine and the First Amendment.

    Science.gov (United States)

    Chamberlin, Bill F.

    This review of the history of the coverage principle developed by the Federal Communications Commission (FCC) concludes that government regulation of mass media program content can be dangerous and that the coverage principle needs to be abolished. The first section of the report discusses the FCC's interpretation of the 1934 Communications Act…

  4. Inequities in Mass Communication Law: The FCC's Application of the Duopoly Rule to Public Broadcasting.

    Science.gov (United States)

    Avery, Robert K.

    A three-part petition was filed in December 1974 with the Federal Communications Commission (FCC) which presented the first serious threat to public broadcasters' exemption from the FCC's multiple-ownership rules. The petition requested a revision of the rules that permit multiple ownership of noncommercial educational stations within a single…

  5. 47 CFR Appendix A to Subpart A of... - Locations Where GMRS Is Regulated by the FCC

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Locations Where GMRS Is Regulated by the FCC A Appendix A to Subpart A of Part 95 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY.... A, App. A Appendix A to Subpart A of Part 95—Locations Where GMRS Is Regulated by the FCC In...

  6. Theory of alkali-metal-induced reconstructions of fcc(100) surfaces

    DEFF Research Database (Denmark)

    Christensen, Ole Bøssing; Jacobsen, Karsten Wedel

    1992-01-01

    Calculations of missing-row reconstruction energies of the fcc(100) surfaces of the metals Al, Ni, Pd, Pt, Cu, Ag, and Au have been performed with the effective-medium theory with and without the presence of a potassium overlayer. It is shown that the tendency to reconstruct in the presence......-metal-induced reconstruction of fcc(110) surfaces are pointed out....

  7. 47 CFR 64.1110 - State notification of election to administer FCC rules.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 3 2010-10-01 2010-10-01 false State notification of election to administer FCC rules. 64.1110 Section 64.1110 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... Telecommunications Service Providers § 64.1110 State notification of election to administer FCC rules. (a)...

  8. 47 CFR 2.1076 - FCC inspection and submission of equipment for testing.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC inspection and submission of equipment for testing. 2.1076 Section 2.1076 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY... Declaration of Conformity § 2.1076 FCC inspection and submission of equipment for testing. (a)...

  9. 78 FR 34099 - FCC Extends Pleading Cycle for Indecency Cases Policy

    Science.gov (United States)

    2013-06-06

    ... COMMISSION FCC Extends Pleading Cycle for Indecency Cases Policy AGENCY: Federal Communications Commission.... until 11:30 a.m. on Friday at the FCC Reference Information Center, Portals II, Room CY- A257, 445 12th...-B402, Washington, DC 20554, telephone (800) 378- 3160, facsimile (202) 488-5563, email...

  10. 47 CFR 2.956 - FCC inspection and submission of equipment for testing.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC inspection and submission of equipment for testing. 2.956 Section 2.956 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY... Verification § 2.956 FCC inspection and submission of equipment for testing. (a) Each responsible party...

  11. Nature of nitrogen specie in coke and their role in NOx formation during FCC catalyst regeneration.

    NARCIS (Netherlands)

    Babych, Igor V.; Seshan, Kulathuiyer; Lefferts, Leonardus

    2005-01-01

    NOx emission during the regeneration of coked fluid catalytic cracking (FCC) catalysts is an environmental problem. In order to follow the route to NOx formation and try to find ways to suppress it, a coked industrial FCC catalyst has been prepared using model N-containing compounds, e.g., pyridine,

  12. On Campus Web-Monitoring Rules, Colleges and the FCC Have a Bad Connection

    Science.gov (United States)

    Hartle, Terry W.

    2006-01-01

    A regulation issued by the US Federal Communications Commission (FCC) requires facilities-based Internet services providers who operate their own equipment, including colleges, to make their Internet systems compliant with a statute known as the Communications Assistance for Law Enforcement Act (Calea) by April 2007. However, the FCC does not…

  13. 76 FR 69738 - Revised 2011 Annual Telecommunications Reporting Worksheet (FCC Form 499-A) and Accompanying...

    Science.gov (United States)

    2011-11-09

    ... COMMISSION Revised 2011 Annual Telecommunications Reporting Worksheet (FCC Form 499-A) and Accompanying... Competition Bureau released the revised Telecommunications Reporting Worksheet (FCC Form 499-A) and... Competition Bureau, Telecommunications Access Policy Division, at (202) 418-7400 or via the Internet...

  14. Diversity of Voice? The FCC's Bright-Line "Anti-Monopoly" Rule.

    Science.gov (United States)

    Haddock, David D.; Polsby, Daniel D.

    The Federal Communications Commission (FCC) has long had rules that prohibit anyone from owning more than one television station in any given location. Two of the stated purposes behind the FCC's anti-monopoly rules are to foster diversity of programming for the sake of First Amendment interests, and to promote programming among media outlets in…

  15. Superhard BC(3) in cubic diamond structure.

    Science.gov (United States)

    Zhang, Miao; Liu, Hanyu; Li, Quan; Gao, Bo; Wang, Yanchao; Li, Hongdong; Chen, Changfeng; Ma, Yanming

    2015-01-01

    We solve the crystal structure of recently synthesized cubic BC(3) using an unbiased swarm structure search, which identifies a highly symmetric BC(3) phase in the cubic diamond structure (d-BC(3)) that contains a distinct B-B bonding network along the body diagonals of a large 64-atom unit cell. Simulated x-ray diffraction and Raman peaks of d-BC(3) are in excellent agreement with experimental data. Calculated stress-strain relations of d-BC(3) demonstrate its intrinsic superhard nature and reveal intriguing sequential bond-breaking modes that produce superior ductility and extended elasticity, which are unique among superhard solids. The present results establish the first boron carbide in the cubic diamond structure with remarkable properties, and these new findings also provide insights for exploring other covalent solids with complex bonding configurations.

  16. Cubical Cohomology Ring of 3D Photographs

    CERN Document Server

    Gonzalez-Diaz, Rocio; Medrano, Belen; 10.1002/ima.20271

    2011-01-01

    Cohomology and cohomology ring of three-dimensional (3D) objects are topological invariants that characterize holes and their relations. Cohomology ring has been traditionally computed on simplicial complexes. Nevertheless, cubical complexes deal directly with the voxels in 3D images, no additional triangulation is necessary, facilitating efficient algorithms for the computation of topological invariants in the image context. In this paper, we present formulas to directly compute the cohomology ring of 3D cubical complexes without making use of any additional triangulation. Starting from a cubical complex $Q$ that represents a 3D binary-valued digital picture whose foreground has one connected component, we compute first the cohomological information on the boundary of the object, $\\partial Q$ by an incremental technique; then, using a face reduction algorithm, we compute it on the whole object; finally, applying the mentioned formulas, the cohomology ring is computed from such information.

  17. Diffusion-controlled anisotropic growth of stable and metastable crystal polymorphs in the phase-field crystal model.

    Science.gov (United States)

    Tegze, G; Gránásy, L; Tóth, G I; Podmaniczky, F; Jaatinen, A; Ala-Nissila, T; Pusztai, T

    2009-07-17

    We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka-Asaro-Tiller-Grinfeld-type instability.

  18. FCC Based Lepton-Hadron and Photon-Hadron Colliders: Luminosity and Physics

    CERN Document Server

    Acar, Y C; Beser, S; Karadeniz, H; Kaya, U; Oner, B B; Sultansoy, S

    2016-01-01

    Construction of future electron-positron colliders (or dedicated electron linac) and muon colliders (or dedicated muon ring) tangential to Future Circular Collider (FCC) will give opportunity to utilize highest energy proton and nucleus beams for lepton-hadron and photon-hadron collisions. Luminosity values of FCC based ep, \\mup, eA, \\muA, \\gammap and \\gammaA colliders are estimated. Multi-TeV center of mass energy ep colliders based on the FCC and linear colliders (LC) are considered in detail. Parameters of upgraded versions of the FCC proton beam are determined to optimize luminosity of electron-proton collisions keeping beam-beam effects in mind. Numerical calculations are performed using a currently being developed collision point simulator. It is shown that L_{ep}\\sim10^{32}\\,cm^{-2}s^{-1} can be achieved with LHeC-like upgrade of the FCC parameters.

  19. Purely cubic action for string field theory

    Science.gov (United States)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.

    1986-01-01

    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  20. Purely cubic action for string field theory

    Science.gov (United States)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.

    1986-01-01

    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  1. Cellular Phone Towers, FCC registered communications towers. Points were generated from FCC data latlong. Originally created as a basis of comparison for Appraiser's cell tower points, bu comparison was inconclusive. Represented all registered FCC sites as of 6/26/2003. No, Published in 2003, 1:1200 (1in=100ft) scale, Sedgwick County Government.

    Data.gov (United States)

    NSGIC Local Govt | GIS Inventory — Cellular Phone Towers dataset current as of 2003. FCC registered communications towers. Points were generated from FCC data latlong. Originally created as a basis of...

  2. 47 CFR Appendix 1 to Part 97 - Places Where the Amateur Service is Regulated by the FCC

    Science.gov (United States)

    2010-10-01

    ... by the FCC 1 Appendix 1 to Part 97 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... the Amateur Service is Regulated by the FCC In ITU Region 2, the amateur service is regulated by the FCC within the territorial limits of the 50 United States, District of Columbia, Caribbean...

  3. 78 FR 23563 - FCC Reduces Backlog of Broadcast Indecency Complaints by 70% (More Than One Million Complaints...

    Science.gov (United States)

    2013-04-19

    ... COMMISSION FCC Reduces Backlog of Broadcast Indecency Complaints by 70% (More Than One Million Complaints...., Monday through Thursday or from 8 a.m. until 11:30 a.m. on Friday at the FCC Reference Information Center... (202) 488-5563, email FCC@BCPIWEB.com , or you may contact BCPI via its Web site,...

  4. Lattice mechanical properties of some fcc f-shell metals

    Indian Academy of Sciences (India)

    J K Baria; A R Jani

    2003-06-01

    A pseudopotential depending on an effective core radius is proposed to study the binding energy, equation of state, ion–ion interaction, phonon dispersion curves (q-space and r-space analysis), mode Gr¨uneisen parameters and dynamical elastic constants of some fcc f-shell metals La, Yb, Ce and Th. The contribution of the s-like electrons is calculated in the second-order perturbation theory for the potential while d- and f-like electron is taken into account by introducing repulsive short-range Born–Mayer term. The parameter of the potential is evaluated by zero pressure condition. An excellent agreement between theoretical investigations and experimental findings is achieved which confirms the present formalism.

  5. The FCC-ee Interaction Region Magnet Design

    CERN Document Server

    Koratzinos, M; Bogomyagkov, A; Sinyatkin, S; Benedikt, M; Holzer, B; van Nugteren, J; Zimmermann, F; Oide, K

    2016-01-01

    The design of the region close to the interaction point of the FCC-ee experiments is especially challenging. The beams collide at an angle (+-15 mrad) in the high-field region of the detector solenoid. Moreover, the very low vertical beta_y* of the machine necessitates that the final focusing quadrupoles have a distance from the IP (L*) of around 2 m and therefore are inside the main detector solenoid. The beams should be screened from the effect of the detector magnetic field, and the emittance blow-up due to vertical dispersion in the interaction region should be minimized, while leaving enough space for detector components. Crosstalk between the two final focus quadrupoles, only about 6 cm apart at the tip, should also be minimized.

  6. Electrical conductance through nanocontacts between fcc(100) electrodes of gold

    Energy Technology Data Exchange (ETDEWEB)

    Koudela, Daniela; Lopez-Acevedo, Olga; Walter, Michael [Department of Physics, Nanoscience Center, P.O. Box 35, FIN-40014 University of Jyvaeskylae (Finland); Haekkinen, Hannu [Department of Physics, Nanoscience Center, P.O. Box 35, FIN-40014 University of Jyvaeskylae (Finland); Department of Chemistry, P.O. Box 35, FIN-40014 University of Jyvaeskylae (Finland)

    2008-07-01

    Both experimental and theoretical work has been done to explain conductance curves for metal nanowires, giving presently a good model that allows to explain experimental results microscopically. For one atom contacts it has moreover been shown, theoretically and experimentally, a strong relation between the number of valence orbitals of the single atom and the maximum value of the conductance that can be obtained. We have studied Au nanowires of different lengths connected to fcc(100) tips corresponding to possible configurations in the elongation process. For those systems we have calculated the self-consistent potential obtained with Density Functional Theory and used it to calculate the conductance using the recursion-transfer-matrix method. Our results show that though gold has formally only one valence electron (6s), for wires shorter than 3 atoms there are 3 (partially) open eigenmodes.

  7. Diffusion and segregation of niobium in fcc-nickel.

    Science.gov (United States)

    Connétable, Damien; Ter-Ovanessian, Benoît; Andrieu, Éric

    2012-03-01

    Niobium is one of the major alloying elements, among the refractory elements, contributing to the strengthening of superalloys. Consequently, data about its behavior and its migration mechanism in fcc-Ni are essential knowledge to understand and control the strengthening in such alloys. We present in this work Nb interactions, solubility and diffusion in Ni performed by using the GGA approximation of the density functional theory. The substituted site is found to be the most favorable configuration in comparison to the tetrahedral and octahedral sites. The effect of temperature on solubility is discussed taking into account the thermal expansion of the lattice parameter and the vibrational contribution. Its diffusion mechanism is also discussed and compared to the literature. We finally discuss the segregation of Nb atoms on a Σ(5)-(012) symmetric tilt grain boundary.

  8. DEFICIENT CUBIC SPLINES WITH AVERAGE SLOPE MATCHING

    Institute of Scientific and Technical Information of China (English)

    V. B. Das; A. Kumar

    2005-01-01

    We obtain a deficient cubic spline function which matches the functions with certain area matching over a greater mesh intervals, and also provides a greater flexibility in replacing area matching as interpolation. We also study their convergence properties to the interpolating functions.

  9. Counting rational points on cubic curves

    Institute of Scientific and Technical Information of China (English)

    HEATH-BROWN; Roger; TESTA; Damiano

    2010-01-01

    We prove upper bounds for the number of rational points on non-singular cubic curves defined over the rationals.The bounds are uniform in the curve and involve the rank of the corresponding Jacobian.The method used in the proof is a combination of the "determinant method" with an m-descent on the curve.

  10. CONSTRAINED RATIONAL CUBIC SPLINE AND ITS APPLICATION

    Institute of Scientific and Technical Information of China (English)

    Qi Duan; Huan-ling Zhang; Xiang Lai; Nan Xie; Fu-hua (Frank) Cheng

    2001-01-01

    In this paper, a kind of rational cubic interpolation functionwith linear denominator is constructed. The constrained interpolation with constraint on shape of the interpolating curves and on the second-order derivative of the interpolating function is studied by using this interpolation, and as the consequent result, the convex interpolation conditions have been derived.

  11. Anisotropy of a cubic ferromagnet at criticality

    Science.gov (United States)

    Kudlis, A.; Sokolov, A. I.

    2016-10-01

    Critical fluctuations change the effective anisotropy of cubic ferromagnet near the Curie point. If the crystal undergoes phase transition into orthorhombic phase and the initial anisotropy is not too strong, reduced anisotropy of nonlinear susceptibility acquires at Tc the universal value δ4*=2/v* 3 (u*+v*) where u* and v* are coordinates of the cubic fixed point on the flow diagram of renormalization group equations. In the paper, the critical value of the reduced anisotropy is estimated within the pseudo-ɛ expansion approach. The six-loop pseudo-ɛ expansions for u*, v*, and δ4* are derived for the arbitrary spin dimensionality n . For cubic crystals (n =3 ) higher-order coefficients of the pseudo-ɛ expansions obtained turn out to be so small that use of simple Padé approximants yields reliable numerical results. Padé resummation of the pseudo-ɛ series for u*, v*, and δ4* leads to the estimate δ4*=0.079 ±0.006 , indicating that detection of the anisotropic critical behavior of cubic ferromagnets in physical and computer experiments is certainly possible.

  12. Binomial Squares in Pure Cubic Number Fields

    CERN Document Server

    Lemmermeyer, Franz

    2011-01-01

    Let K = Q(\\omega) with \\omega^3 = m be a pure cubic number field. We show that the elements\\alpha \\in K^\\times whose squares have the form a - \\omega form a group isomorphic to the group of rational points on the elliptic curve E_m: y^2= x^3 - m.

  13. The cactus rank of cubic forms

    CERN Document Server

    Bernardi, Alessandra

    2011-01-01

    We prove that the smallest degree of an apolar 0-dimensional scheme to a general cubic form in $n+1$ variables is at most $2n+2$, when $n\\geq 8$, and therefore smaller than the rank of the form. When n=8 we show that the bound is sharp, i.e. the smallest degree of an apolar subscheme is 18.

  14. On Groups Whose Proper Quotients Are FCc-Groups with the Maximal Condition%其真商群为满足极大条件的FCc-群的群

    Institute of Scientific and Technical Information of China (English)

    张志让; 邢世奇

    2012-01-01

    如果FCc-群满足极大条件,那么称之为(FCc) max群;如果群G的所有真商群都是(FCc) max-群,但是G本身不是(FCc) max-群,那么称群G为外(FCc)-max群.主要利用外FNc-群的结果,给出外(FCc)max群的结构描述,同时还推广了群的上下中心列的有限性条件.%A group is an (FCc )max-group if it is an FCc-group with the maximal condition. Group G is said to be a just non-(FCc )max-group if all of its proper quotients are (FCc )max-groups, but G itself is not. The main purpose of this article is to give a description of the structure of just non-(FCc )max-groups by making use of the results of just non-FNc-groups. Hall on finiteness conditions of upper and lower central series of groups is given.

  15. Synthesis and the Structural Transformation of fcc to hcp in Ni-Graphene Nanocomposite by Simple Chemical Route via Sonication

    Directory of Open Access Journals (Sweden)

    N. K. Mahale

    2014-01-01

    Full Text Available We report the synthesis and structural transformation of fcc to hcp in Ni-graphene (Ni-Gr composite by simple chemical route via sonication. The syntheses of Ni-Gr composite by simultaneous reduction method, and the effect of different composition ratio on morphology and crystal structure were examined in our present study. The results indicated that the graphene ratio played an important role in crystal structure and d-spacing in nickel crystals. Different compositions have shown different behavior. The nanonickel clusters of various shapes with coated graphene and decorated as nickel on graphene sheets are observed. The synthesized composites were characterized using X-ray diffraction (XRD, field emission scanning electron microscopy (FE-SEM, and transmission electron microscope (TEM. The XRD patterns indicated crystal lattice modifications in some composites while composites with a higher graphene ratio produced very small crystals with uniform lattice parameter and d-spacing. FE-SEM images indicated the growth of Datura fruit like shapes of nickel clusters in higher composition of nickel while the composites with least concentration of nickel were composed of cubical nanoparticles grown on graphene sheets. TEM analysis revealed many Ni nanoparticles surrounding the smooth petals like surface of graphene, with average diameters of spiky nickel nanoparticles being about 50 nm and 124 nm, respectively, on 200 nm of scale.

  16. 催化裂化汽提技术的发展%THE DEVELOPMENT OF FCC STRIPPING TECHNOLOGY

    Institute of Scientific and Technical Information of China (English)

    张振千

    2003-01-01

    This article briefly describes the major patents domestic and the abroad, and the current situation and achievements of FCC stripping technology in China. The developing trend of FCC stripping technology is presented, including further developments of FCC stripper to improve unit performance, combination of the stripper and pre-stripper within disengager to form a complete high-efficiency FCC stripping system. In addition to high efficiency, simple structure and easiness of installation and maintenance for a new FCC stripper are all of consideration.

  17. First-principles calculations of free energies of unstable phases: the case of fcc W.

    Science.gov (United States)

    Ozolins, V

    2009-02-13

    Ab initio molecular dynamics simulations are used to solve the long-standing problem of calculating the free energies of unstable phases, such as fcc W. We find that fcc W is mechanically unstable with respect to long-wavelength shear at all temperatures considered (T>2500 K), while the short-wavelength phonon modes are anharmonically stabilized. The calculated fcc-bcc enthalpy and entropy differences at T=3500 K (308 meV and 0.74k_{B} per atom, respectively) agree well with the recent values derived from analysis of experimental data.

  18. Antiferromagnetic resonance in the Mott insulator fcc-Cs3C60.

    Science.gov (United States)

    Suzuki, Yuta; Shibasaki, Seiji; Kubozono, Yoshihiro; Kambe, Takashi

    2013-09-11

    The magnetic ground state of the fcc phase of the Mott insulator Cs3C60 was studied using a low-temperature electron spin resonance technique, and antiferromagnetic resonance (AFMR) below 1.57 K was directly observed at ambient pressure. The AFMR modes for the fcc phase of Cs3C60 were investigated using a conventional two-sublattice model with uniaxial anisotropy, and the spin-flop field was determined to be 4.7 kOe at 1.57 K. The static magnetic exchange interactions and anisotropy field for fcc-Cs3C60 were also estimated.

  19. Study on Metal-Passivating Elements in FCC Operation and Their Migration

    Institute of Scientific and Technical Information of China (English)

    Liu Xiaodong; Cui Yan; Zhang Ruichi; Chen Zupi

    2004-01-01

    Elements including P, Sb, Ce, La, B, Sn, Ti, Bi and Mg that could passivate Ni and V were studied on their migration on FCC catalysts and carriers under simulated commercial FCC operating conditions.Test results had shown that P, Sb, B and Sn compounds exhibited migration activity. The effects of temperature, fluidizing medium and contact time on migration of antimony compounds were investigated,and the mechanism regarding antimony migration was proposed. Meanwhile, it was disclosed that Ni on catalyst could stimulate Sb contained in the metal passivator to move onto FCC catalyst in tandem with the interaction between nickel and antimony.

  20. Controlled FCC/on-top binding of H/Pt(111) using surface stress

    Science.gov (United States)

    Shuttleworth, I. G.

    2016-08-01

    The preferred binding site of H/Pt(111) has been shown to be change from the on-top to FCC as the Pt(111) surface goes approximately from a state of compressive to tensile strain. A chemical analysis of the system has shown that for both FCC and on-top bound cases the H ssbnd Pt s and H ssbnd Pt d interactions have a similar importance in determining the preferred binding position. It has been seen that FCC-bound H forms a distinct state below the Pt d-band, whereas the on-top bound H does not.

  1. Cubic Polynomials with Rational Roots and Critical Points

    Science.gov (United States)

    Gupta, Shiv K.; Szymanski, Waclaw

    2010-01-01

    If you want your students to graph a cubic polynomial, it is best to give them one with rational roots and critical points. In this paper, we describe completely all such cubics and explain how to generate them.

  2. Use of Pom Pons to Illustrate Cubic Crystal Structures.

    Science.gov (United States)

    Cady, Susan G.

    1997-01-01

    Describes a method that uses olefin pom pons to illustrate cubic crystal structure. Facilitates hands-on examination of different packing arrangements such as hexagonal close-packed and cubic close-packed structures. (JRH)

  3. Shape preserving rational bi-cubic function

    Directory of Open Access Journals (Sweden)

    Malik Zawwar Hussain

    2012-11-01

    Full Text Available The study is dedicated to the development of shape preserving interpolation scheme for monotone and convex data. A rational bi-cubic function with parameters is used for interpolation. To preserve the shape of monotone and convex data, the simple data dependent constraints are developed on these parameters in each rectangular patch. The developed scheme of this paper is confined, cheap to run and produce smooth surfaces.

  4. Cubic Lienard Equations with Quadratic Damping (Ⅱ)

    Institute of Scientific and Technical Information of China (English)

    Yu-quan Wang; Zhu-jun Jing

    2002-01-01

    Applying Hopf bifurcation theory and qualitative theory, we show that the general cubic Lienard equations with quadratic damping have at most three limit cycles. This implies that the guess in which the system has at most two limit cycles is false. We give the sufficient conditions for the system has at most three limit cycles or two limit cycles. We present two examples with three limit cycles or two limit cycles by using numerical simulation.

  5. Superstructures in cubic A{sup II}B{sup VI} crystals heavily doped with Ni and V ions

    Energy Technology Data Exchange (ETDEWEB)

    Maksimov, V. I., E-mail: kokailo@rambler.ru; Dubinin, S. F.; Surkova, T. P. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation)

    2016-01-15

    Specific features of the crystal structure of bulk sphalerite-type Zn{sub 0.9}Ni{sub 0.1}S, Zn{sub 0.9}V{sub 0.1}Se, and Zn{sub 0.997}Ni{sub 0.003}Te crystals have been investigated in detail by thermal-neutron diffraction at room temperature. Fine effects (indicative of the existence of distortion microdomains, nucleation of long- and short-wavelength modulations, and tendencies toward local lowering of the symmetry based on the initial cubic structure) can be observed in the obtained scattering patterns. Various states preceding the fcc ↔ hcp phase transition have been revealed in these crystals. They depend on the elemental composition and are formed upon the reaction of the initial lattice to perturbations induced by foreign ions with an incomplete 3d shell.

  6. Nonlinearities in composition dependence of structure parameters and magnetic properties of nanocrystalline fcc/bcc-mixed Co-Ni-Fe thin films

    NARCIS (Netherlands)

    Chechenin, N. G.; Khomenko, E. V.; Vainchtein, D. I.; De Hosson, J. Th. M.

    2008-01-01

    In this report, the nonlinearities are analyzed in fcc-to-bcc (fcc/bcc) population ratio, lattice parameters (a(exp)(fcc)/a(ideal)(fcc) and a(exp)(bcc)/a(ideal)(bcc)) and saturation magnetization (I(S)(obs)/I(S)(a)) of the electrodeposited thin Co-Fe-Ni films as a function of average number of elect

  7. Local atomic structure in cubic stabilized zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Villella, P.; Conradson, S. D.; Espinosa-Faller, F. J.; Foltyn, S. R.; Sickafus, K. E.; Valdez, J. A.; Degueldre, C. A.

    2001-09-01

    X-ray-absorption fine structure measurements have been used to elucidate the local atomic structure of quaternary Zr, Y, Er, Ce/U cubic stabilized zirconia. These compounds display more complicated local environments than those reported for simpler binary systems. While the shortest cation-O distances are similar to those found in the binary cubic stabilized compounds, responding to the different sizes of the cations, we have identified large distortions in the first-shell oxygen distribution involving long, 2.8--3.2 {angstrom} cation-O distances that are similar to those found in the amorphous phase of zirconium. The cation-cation distributions are also found to be quite complicated (non-Gaussian) and element specific. The U-near neighbor distances are expanded relative to the Ce ions for which it substitutes, consistent with the larger size of the actinide, and the U-cation distribution is also more complicated. In terms of the effects of this substitution on the other cation sites, the local environment around Y is altered while the Zr and Er local environments remain unchanged. These results point out the importance of collective and correlated interactions between the different pairs of cations and the host lattice that are mediated by the local strain fields generated by the different cations. The presence of pair-specific couplings has not been commonly included in previous analyses and may have implications for the stabilization mechanisms of cubic zirconia.

  8. The special symplectic structure of binary cubics

    CERN Document Server

    Slupinski, Marcus

    2009-01-01

    Let $k$ be a field of characteristic not 2 or 3. Let $V$ be the $k$-space of binary cubic polynomials. The natural symplectic structure on $k^2$ promotes to a symplectic structure $\\omega$ on $V$ and from the natural symplectic action of $\\textrm{Sl}(2,k)$ one obtains the symplectic module $(V,\\omega)$. We give a complete analysis of this symplectic module from the point of view of the associated moment map, its norm square $Q$ (essentially the classical discriminant) and the symplectic gradient of $Q$. Among the results are a symplectic derivation of the Cardano-Tartaglia formulas for the roots of a cubic, detailed parameters for all $\\textrm{Sl}(2,k)$ and $\\textrm{Gl}(2,k)$-orbits, in particular identifying a group structure on the set of $\\textrm{Sl}(2,k)$-orbits of fixed nonzero discriminant, and a purely symplectic generalization of the classical Eisenstein syzygy for the covariants of a binary cubic. Such fine symplectic analysis is due to the special symplectic nature inherited from the ambient excepti...

  9. Method of synthesizing cubic system boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Yuzu, S.; Sumiya, H.; Degawa, J.

    1987-10-13

    A method is described for synthetically growing cubic system boron nitride crystals by using boron nitride sources, solvents for dissolving the boron nitride sources, and seed crystals under conditions of ultra-high pressure and high temperature for maintaining the cubic system boron nitride stable. The method comprises the following steps: preparing a synthesizing vessel having at least two chambers, arrayed in order in the synthesizing vessel so as to be heated according to a temperature gradient; placing the solvents having different eutectic temperatures in each chamber with respect to the boron nitride sources according to the temperature gradient; placing the boron nitride source in contact with a portion of each of the solvents heated at a relatively higher temperature and placing at least a seed crystal in a portion of each of the solvents heated at a relatively lower temperature; and growing at least one cubic system boron nitride crystal in each of the solvents in the chambers by heating the synthesizing vessel for establishing the temperature gradient while maintaining conditions of ultra-high pressure and high temperature.

  10. Workshop summary, future prospects and FCC-ee impact on $\\alpha_s$

    CERN Document Server

    d'Enterria, David

    2015-01-01

    The workshop on “High-precision α s measurements from LHC to FCC-ee” –organized in the con- text of the preparation of the Future Circular Collider (FCC) Conceptual Design Report, within the FCC-e + e − “QCD and photon-photon” physics working group activities– discussed the latest advances in the measurement of the strong interaction coupling α s . The meeting brought together leading experts in the field to explore in depth recent theoretical and experimental developments on the determination of α s , new ways to measure this coupling in lepton-lepton, lepton-hadron and hadron-hadron collisions, and in particular the improvements expected at the proposed Future Circular Collider e + e − (FCC-ee) facility.

  11. Development of New Generation Catalysts for Selective Hydrodesulfurization of FCC Naphtha

    Institute of Scientific and Technical Information of China (English)

    Chu Yang; Li Mingfeng; Li Huifeng; Qu Jinhua; Nie Hong; Li Dadong

    2009-01-01

    The influence of active metal components of catalyst, additives and catalyst preparation method on the reactiv-ity of catalyst for selective hydrodesulfurization (HDS) of FCC naphtha was investigated, and the RSDS-21 catalyst with high HDS performance and the RSDS-22 catalyst with high selectivity were developed by RIPP. The composite loading of a new series of catalysts for selective HDS of FCC gasoline has demonstrated excellent desulfurization activity and selectivity and can under conventional hydrotreating conditions manufacture clean gasoline product meeting the national Ⅳ emission standard and the Euro Ⅴ emission standard with less loss in antiknock index. The finalized new series of FCC catalysts upon being adopted for selective HDS of FCC naphtha have good adaptability to different feedstocks along with good stability.

  12. Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

    OpenAIRE

    DAĞISTANLI, Hamdi; MUTLU, R. Haluk

    2008-01-01

    The partial occupation numbers and density of states (DOS), and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linear-muffin-tin-orbital (LMTO) method. By means of the abrupt changes obtained in the partial and total DOS values at the Fermi level, good agreement with regard to experiment were found in predicting the bcc-fcc transition volumes of the alkali metals.

  13. The FCC Flue Gas SOx Transfer Additive RFS Developed by RIPP

    Institute of Scientific and Technical Information of China (English)

    Chen Beiyan; Jiang Wenbin; Song Haitao; Shen Ningyuan; Tian Huiping; He Mingyuan

    2007-01-01

    The present paper introduces the development of FCC flue gas SOx transfer additives by RIPP with a brief discussion of SOx transfer mechanism. The second-generation SOx transfer additives of the RFS series are RIPP's proprietary additives with significantly improved performances. The results of commercial tests indicate that the RFS additive can effectively control SOx emission of the FCC regenerator while maintaining product yields and product quality when the additive is used in a proper concentration range.

  14. Exploring the $Z' \\rightarrow t\\overline{t}$ heavy resonance at FCC-hh

    CERN Document Server

    Smith, Rachel Emma Clarke

    2017-01-01

    My summer student project explored the feasibility of detecting final states with boosted top quarks at 100 TeV with the baseline FCC-hh detector. I focused specifically on the $Z' \\rightarrow t\\overline{t}$ hadronic process. I determined the exclusion cross-section of $Z' \\rightarrow t\\overline{t}$ and the integrated luminosity required to make a discovery at the baseline FCC detector at 95% confidence level.

  15. Main changes to LHC layout for reuse as FCC-hh High Energy Booster

    CERN Document Server

    AUTHOR|(SzGeCERN)396044; Wolfgang Bartmann; Werner Herr; Philippe Lebrun; Attilio Milanese

    2015-01-01

    Reuse of the LHC is one option being investigated for a High Energy Booster for injection of 3.3 TeV protons (and heavy ions at equivalent rigidity) into the proposed 100 TeV centre of mass FCC-hh collider. In this note the major changes required to the LHC layout are listed, assuming beam transfer to the FCC collider is required from both LHC Points 1 and 8.

  16. Scenario for Precision Beam Energy Calibration in FCC-ee

    CERN Document Server

    Koop, I A

    2015-01-01

    The resonance depolarization method was very successfully used in the experiments at LEP, where the mass of the Z-boson was determined with the relative uncertainty [1, 2]. In the future FCC-ee circular electron-positron collider the luminosity at Z-peak (beam energy 45.5 GeV) is expected be 4-5 orders of magnitude higher and one goal is to perform the same experiments as at LEP, but with much greater accuracy, approaching the level of [3]. Obviously this can be done only by measuring the spin precession frequency. But there are many problems which still need to be solved on the way towards a complete design. The first one: the self-polarization takes too long a time. The Sokolov-Ternov polarization time is about 250 hours at Z-peak. One approach is to install the special field-asymmetric polarizing wigglers to make the self-polarization time much shorter [4, 5] and to utilize only few percent of the polarization degree to measure the resonance spin precession frequency. But these very strong wigglers substan...

  17. Scaling Laws and Critical Properties for fcc and hcp Metals.

    Science.gov (United States)

    Desgranges, Caroline; Widhalm, Leanna; Delhommelle, Jerome

    2016-06-16

    The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically, because of the many-body interactions that take place in metals. Moreover, experiments have shown that these systems exhibit an unusually strong asymmetry of their binodal. Recent theoretical work has led to new similarity laws, based on the calculation of the Zeno line and of the underlying Boyle parameters, which provided results for the critical properties of atomic and molecular systems in excellent agreement with experiments. Using the recently developed expanded Wang-Landau (EWL) simulation method, we evaluate the grand-canonical partition function, over a wide range of conditions, for 11 fcc and hcp metals (Ag, Al, Au, Be, Cu, Ir, Ni, Pb, Pd, Pt, and Rh), modeled with a many-body interaction potential. This allows us to calculate the binodal, Zeno line, and Boyle parameters and, in turn, obtain the critical properties for these systems. We also propose two scaling laws for the enthalpy and entropy of vaporization, and identify critical exponents of 0.4 and 1.22 for these two laws, respectively.

  18. Microcalorimetry of oxygen adsorption on fcc Co{110}.

    Science.gov (United States)

    Liao, Kristine; Fiorin, Vittorio; Jenkins, Stephen J; King, David A

    2012-05-28

    The coverage dependent heats of adsorption and sticking probabilities for oxygen on fcc Co{110} have been measured at 300 K using single crystal adsorption calorimetry (SCAC). Initial adsorption is consistent with dissociative chemisorption at low coverage followed by oxide formation above 0.6 ML coverage. The initial heat of adsorption of 633 kJ mol(-1) is similar to heat values calorimetrically measured on other ferromagnetic metal surfaces, such as nickel and iron. As the coverage increases, the heat of adsorption and sticking probability drop very rapidly up to the onset of oxidation. As already observed for other oxygen-metal surface systems, strong lateral adatom repulsions are responsible for the transition from the chemisorption regime to oxide film formation at higher coverage. The heat of oxide formation at the onset is 475 kJ mol(-1), which is consistent with the formation of CoO crystallites. The oxide film formation is discussed in terms of nucleation and island growth, and the Mott-Cabrera mechanisms, the latter being evidenced by the relatively constant heat of adsorption and sticking probability in contrast to the nickel and iron oxidation cases.

  19. Orbitide Composition of the Flax Core Collection (FCC).

    Science.gov (United States)

    Burnett, Peta-Gaye Gillian; Olivia, Clara Marisa; Okinyo-Owiti, Denis Paskal; Reaney, Martin John Tarsisius

    2016-06-29

    The flax (Linum usitatissimum L.) core collection (FCC) was regenerated in Saskatoon, Saskatchewan and Morden, Manitoba in 2009. Seed orbitide content and composition from successfully propagated plants of 391 accessions were analyzed using high-throughput analyses employing high-performance liquid chromatography (HPLC) with reverse-phase monolithic HPLC columns and diode array detection (HPLC-DAD). Seed from plants regenerated in Morden had comparatively higher orbitide content than those grown in Saskatoon. Concentrations of orbitides encoded by contig AFSQ01016651.1 (1, 3, and 8) were higher than those encoded by AFSQ01025165.1 (6, 13, and 17) for most accessions in both locations. The cultivar 'Primus' from Poland and an unnamed accession (CN 101580 of unknown origin) exhibited the highest ratio of sum of [1,3,8] to a sum of [6,13,17]. Conversely, the lowest orbitide concentrations and ratio of [1,3,8] to [6,13,17] were observed in cultivars 'Hollandia' and 'Z 11637', both from The Netherlands. Orbitide expression did not correlate with flax morphological and other chemical traits.

  20. Post-riser Regeneration Technology in FCC Unit

    Institute of Scientific and Technical Information of China (English)

    Liu Xiancheng; Lu Chunxi; Shi Mingxian

    2007-01-01

    In our present work,a post-riser regeneration technology (PRRT) for fluid catalytic cracking (FCC) units was developed to deal with increasingly heavier feedstock and hereby the larger amount of coke deposited on the catalyst particles during reaction.This technology can make full use of the advantages of riser regenerator,such as high coke-burning efficiency and low residual carbon,and at the same time overcome its disadvantages,such as difficulty in starting combustion.The average particles concentration on the cross section of the system was studied on a large scale cold model experimental set-up.Also a necessary software was developed by combining the hydrodynamics research results in our work with the coke-burning kinetics model and the heat and mass transfer model developed by previous researchers.The simulation results showed that the PRRT could increase regeneration capability by 16.28%-26.24% over the conventional turbulent fluidized bed regenerator under the similar operation conditions,and that the residual carbon could be kept below 0.1 wt%.

  1. Precision Natural SUSY at CEPC, FCC-ee, and ILC

    CERN Document Server

    Fan, JiJi; Wang, Lian-Tao

    2014-01-01

    Testing the idea of naturalness is and will continue to be one of the most important goals of high energy physics experiments. It will play a central role in the physics program of future colliders. In this paper, we present projections of the reach of natural SUSY at future lepton colliders: CEPC, FCC-ee and ILC. We focus on the observables which give the strongest reach, the electroweak precision observables (for left-handed stops), and Higgs to gluon and photon decay rates (for both left- and right-handed stops). There is a "blind spot" when the stop mixing parameter Xt is approximately equal to the average stop mass. We argue that in natural scenarios, bounds on the heavy Higgs bosons from tree-level mixing effects that modify the bottom Yukawa coupling together with bounds from b to s gamma play a complementary role in probing the blind spot region. For specific natural SUSY scenarios such as folded SUSY in which the top partners do not carry Standard Model color charges, electroweak precision observable...

  2. Role of five-fold twin boundary on the enhanced mechanical properties of fcc Fe nanowires.

    Science.gov (United States)

    Wu, J Y; Nagao, S; He, J Y; Zhang, Z L

    2011-12-14

    The role of 5-fold twin boundary on the structural and mechanical properties of fcc Fe nanowire under tension is explored by classical molecular dynamics. Twin-stabilized fcc nanowire with various diameters (6-24 nm) are examined by tension tests at several temperatures ranging from 0.01 to 1100 K. Significant increase in the Young's modulus of the smaller nanowires is revealed to originate from the central area of quinquefoliolate-like stress-distribution over the 5-fold twin, rather than from the surface tension that is often considered as the main source of such size-effects found in nanostructures. Because of the excess compressive stress caused by crossing twin-boundaries, the atoms in the center behave stiffer than those in bulk and even expand laterally under axial tension, providing locally negative Poisson's ratio. The yield strength of nanowire is also enhanced by the twin boundary that suppresses dislocation nucleation within a fcc twin-domain; therefore, the plasticity of nanowire is initiated by strain-induced fcc→bcc phase transformation that destroys the twin structure. After the yield, the nucleated bcc phase immediately spreads to the entire area, and forms a multigrain structure to realize ductile deformation followed by necking. As temperature elevated close to the critical temperature between bcc and fcc phases, the increased stability of fcc phase competes with the phase transformation under tension, and hence dislocation nucleations in fcc phase are observed exclusively at the highest temperature in our study.

  3. Synthesis, characterization and catalytic evaluation of cubic ordered mesoporous iron-silicon oxides

    Energy Technology Data Exchange (ETDEWEB)

    Martins, T.S., E-mail: tsmartins@unifesp.br [Departamento de Ciencias Exatas e da Terra, Universidade Federal de Sao Paulo, Rua Prof. Artur Riedel 275, 09972-270 Diadema, Sao Paulo (Brazil); Mahmoud, A.; Cides da Silva, L.C. [Instituto de Quimica, Universidade de Sao Paulo, 05508-900 Sao Paulo (Brazil); Cosentino, I.C. [IPEN, Av. Prof. Lineu Prestes 2242, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Tabacniks, M.H. [Instituto de Fisica, Universidade de Sao Paulo 66318, 05315-970 Sao Paulo (Brazil); Matos, J.R. [Instituto de Quimica, Universidade de Sao Paulo, 05508-900 Sao Paulo (Brazil); Freire, R.S. [CEPEMA/USP, Centro de Capacitacao e Pesquisa em Meio Ambiente, Cubatao/SP (Brazil); Instituto de Quimica, Universidade de Sao Paulo, 05508-900 Sao Paulo (Brazil); Fantini, M.C.A. [Instituto de Fisica, Universidade de Sao Paulo 66318, 05315-970 Sao Paulo (Brazil)

    2010-11-01

    Iron was successfully incorporated in FDU-1 type cubic ordered mesoporous silica by a simple direct synthesis route. The (Fe/FDU-1) samples were characterized by Rutherford back-scattering spectrometry (RBS), small angle X-ray scattering (SAXS), N{sub 2} sorption isotherm, X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). The resulting material presented an iron content of about 5%. Prepared at the usual acid pH of -0.3, the composite was mostly formed by amorphous silica and hematite with a quantity of Fe{sup 2+} present in the structure. The samples prepared with adjusted pH values (2 and 3.5) were amorphous. The samples' average pore diameter was around 12.0 nm and BET specific surface area was of 680 m{sup 2} g{sup -1}. Although the iron-incorporated material presented larger lattice parameter, about 25 nm compared to pure FDU-1, the Fe/FDU-1 composite still maintained its cubic ordered fcc mesoporous structure before and after the template removal at 540 deg. C. The catalytic performance of Fe/FDU-1 was investigated in the catalytic oxidation of Black Remazol B dye using a catalytic ozonation process. The results indicated that Fe/FDU-1 prepared at the usual acid pH exhibited high catalytic activity in the mineralization of this pollutant when compared to the pure FDU-1, Fe{sub 2}O{sub 3} and Fe/FDU-1 prepared with higher pH of 2 and 3.5.

  4. Cherenkov and Scintillation Properties of Cubic Zirconium

    Science.gov (United States)

    Christl, M.J.; Adams, J.H.; Parnell, T.A.; Kuznetsov, E.N.

    2008-01-01

    Cubic zirconium (CZ) is a high index of refraction (n =2.17) material that we have investigated for Cherenkov counter applications. Laboratory and proton accelerator tests of an 18cc sample of CZ show that the expected fast Cherenkov response is accompanied by a longer scintillation component that can be separated by pulse shaping. This presents the possibility of novel particle spectrometers which exploits both properties of CZ. Other high index materials being examined for Cherenkov applications will be discussed. Results from laboratory tests and an accelerator exposure will be presented and a potential application in solar energetic particle instruments will be discussed

  5. Tachyon Vacuum in Cubic Superstring Field Theory

    CERN Document Server

    Erler, Theodore

    2008-01-01

    In this paper we give an exact analytic solution for tachyon condensation in the modified (picture 0) cubic superstring field theory. We prove the absence of cohomology and, crucially, reproduce the correct value for the D-brane tension. The solution is surprising for two reasons: First, the existence of a tachyon vacuum in this theory has not been definitively established in the level expansion. Second, the solution {\\it vanishes} in the GSO$(-)$ sector, implying a ``tachyon vacuum'' solution exists even for a {\\it BPS} D-brane.

  6. Generalized fairing algorithm of parametric cubic splines

    Institute of Scientific and Technical Information of China (English)

    WANG Yuan-jun; CAO Yuan

    2006-01-01

    Kjellander has reported an algorithm for fairing uniform parametric cubic splines. Poliakoff extended Kjellander's algorithm to non-uniform case. However, they merely changed the bad point's position, and neglected the smoothing of tangent at bad point. In this paper, we present a fairing algorithm that both changed point's position and its corresponding tangent vector. The new algorithm possesses the minimum property of energy. We also proved Poliakoff's fairing algorithm is a deduction of our fairing algorithm. Several fairing examples are given in this paper.

  7. Fractal Symmetries: Ungauging the Cubic Code

    CERN Document Server

    Williamson, Dominic J

    2016-01-01

    Gauging is a ubiquitous tool in many-body physics. It allows one to construct highly entangled topological phases of matter from relatively simple phases and to relate certain characteristics of the two. Here we develop a gauging procedure for general submanifold symmetries of Pauli Hamiltonians, including symmetries of fractal type. We show a relation between the pre- and post- gauging models and use this to construct short range entangled phases with fractal like symmetries, one of which is mapped to the cubic code by the gauging.

  8. The Exact Limit of Some Cubic Towers

    DEFF Research Database (Denmark)

    Anbar Meidl, Nurdagül; Beelen, Peter; Nguyen, Nhut

    2016-01-01

    Recently, a new explicit tower of function fields was introduced by Bassa, Beelen, Garcia and Stichtenoth (BBGS). This resulted in currently the best known lower bound for Ihara’s constant in the case of non-prime finite fields. In particular over cubic fields, the tower’s limit is at least as good...... as Zink’s bound; i.e. λ(BBGS/Fq3 ) ≥ 2(q2 - 1)/(q + 2). In this paper, the exact value of λ(BBGS/Fq3 ) is computed. We also settle a question stated by Ihara....

  9. Competing structural instabilities in cubic perovskites

    CERN Document Server

    Vanderbilt, D

    1994-01-01

    We study the antiferrodistortive instability and its interaction with ferroelectricity in cubic perovskite compounds. Our first-principles calculations show that coexistence of both instabilities is very common. We develop a first-principles scheme to study the thermodynamics of these compounds when both instabilities are present, and apply it to SrTiO$_3$. We find that increased pressure enhances the antiferrodistortive instability while suppressing the ferroelectric one. Moreover, the presence of one instability tends to suppress the other. A very rich $P$--$T$ phase diagram results.

  10. The study of Cu/Nb interface diffusion using molecular dynamics simulation

    Directory of Open Access Journals (Sweden)

    Ivan V. Nelasov

    2016-06-01

    Full Text Available The peculiarities of interfacial boundary diffusion where the boundary goes between nonmiscible metals with body-centered cubic (BCC and face-centered cubic (FCC lattices have been studied taking, as a case in point, the Cu/Nb system, and using the molecular dynamics method. The diffusion atomic displacements were shown to occur mainly near the mismatch dislocations and their intersections. The diffusion of the high-melting component was found to be characterized by high anisotropy with the predominant atomic displacement along the dense-packed direction in the interfacial boundary plane being common to FCC and BCC lattices with the Kurdyumov–Sachs mutual orientation.

  11. Rheological properties of Cubic colloidal suspensions

    Science.gov (United States)

    Boromand, Arman; Maia, Joao

    2016-11-01

    Colloidal and non-colloidal suspensions are ubiquitous in many industrial application. There are numerous studies on these systems to understand and relate their complex rheological properties to their microstructural evolution under deformation. Although most of the experimental and simulation studies are centered on spherical particles, in most of the industrial applications the geometry of the colloidal particles deviate from the simple hard sphere and more complex geometries exist. Recent advances in microfabrication paved the way to fabricate colloidal particles with complex geometries for applications in different areas such as drug delivery where the fundamental understanding of their dynamics has remained unexplored. In this study, using dissipative particle dynamics, we investigate the rheological properties of cubic (superball) particles which are modeled as the cluster of core-modified DPD particles. Explicit representation of solvent particles in the DPD scheme will conserve the full hydrodynamic interactions between colloidal particles. Rheological properties of these cubic suspensions are investigated in the dilute and semi-dilute regimes. The Einstein and Huggins coefficients for these particles with different superball exponent will be calculate which represent the effect of single particle's geometry and multibody interactions on viscosity, respectively. The response of these suspensions is investigated under simple shear and oscillatory shear where it is shown that under oscillation these particles tend to form crystalline structure giving rise to stronger shear-thinning behavior recently measured experimentally.

  12. Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

    Energy Technology Data Exchange (ETDEWEB)

    Peterman, D.J.

    1980-01-01

    Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH/sub 2/ and YH/sub 2/ were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH/sub 2/ cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 < x < 2.9 are presented which, as expected, indicate a more premature occupation of the octahedral sites in the larger LaH/sub 2/ lattice. These experimental results also suggest that, in contrast to recent calculations, LaH/sub 3/ is a small-band-gap semiconductor.

  13. 降低FCC汽油烯烃的措施%MEASURES FOR DECREASING OLEFINE OF FCC GASOLINE

    Institute of Scientific and Technical Information of China (English)

    郝代军

    2001-01-01

    The measures for decreasing olefin of FCC gasoline were introduced. Selecting FCC feed stock, improving FCCU process schemes, using FCC catalyst or co-catalyst which have function for decreasing FCC gasoline olefin are the effective measure to decrease olefin of FCC gasoline. Etherification of FCC light gasoline and hydrodesulfurization (HDS) of FCC heave gasoline , or hydrodesulfurization of FCC gasoline are also the effective measures for producing clean gasoline.%介绍了降低催化裂化(FCC)汽油烯烃的几项措施。从FCC技术自身来讲,优化原料结构、改善装置操作条件、选择降烯烃催化剂和使用降烯烃助剂等方法是简单易行的。如洛阳石油化工工程公司开发的LAP降低烯烃助剂可降低烯烃10个百分点,且辛烷值略有提高。另外,对FCC轻汽油进行醚化并对重汽油加氢脱硫,或者FCC汽油全馏分加氢脱硫降烯烃,也是降低FCC汽油烯烃的有效措施。

  14. Spinel type twins of the new cubic Er{sub 6}Zn{sub 23}Ge compound

    Energy Technology Data Exchange (ETDEWEB)

    Solokha, Pavlo; De Negri, Serena; Saccone, Adriana [Genova Univ. (Italy). Dipt. di Chimica e Chimica Industriale; Proserpio, Davide M. [Univ. degli Studi di Milano (Italy). Dipt. di Chimica; Samara State Univ. (Russian Federation). Samara Center for Theoretical Materials Science (SCTMS)

    2016-04-01

    The crystal structure of the new Er{sub 6}Zn{sub 23}Ge intermetallic compound was established by X-ray diffraction analysis on a twinned crystal (space group Fm anti 3m, Wyckoff sequence: f{sup 2}edba, cF120-Zr{sub 6}Zn{sub 23}Si, a=12.7726(6) Aa). The crystal is composed of two nearly equal size domains, whose mutual orientation is described by a 180 rotation around the cubic [111] axis, i.e. a spinel-type twinning law, not common for intermetallics. Applying the nanocluster approach, Er{sub 6}Ge octahedra and centered two-shell Zn{sub 45} clusters were found as structural building blocks, filling the crystal space in a NaCl-like arrangement. This description was adopted to interpret the twinning in terms of stacking faults in the fcc cubic close packed arrangement. Moreover, the assembly of the nanocluster units is proposed as a possible mechanism for crystal growth and twin formation, in agreement with the principle of the interface energy minimization. Experimental conditions such as supersaturation and co-formation of other phases are also considered as favorable factors for Er{sub 6}Zn{sub 23}Ge twin formation.

  15. Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations.

    Science.gov (United States)

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2010-11-03

    By classical molecular dynamics simulations employing an embedded atom method potential, we have simulated the bcc to hcp/fcc structural transition in single-crystal iron under uniform compression. Results showed that the transition pressure is different from uniaxial compression and shock loading. The transformation occurs on a picosecond timescale and the transition time decreases along with the increase of pressure. The nucleation and growth of the hcp and fcc phases under constant pressure and temperature are analyzed in detail. The nucleation planes, all belonging to the {110}(bcc) family and parallel to the three compression directions [100], [010], and [001], have been observed. About 20% bcc atoms have transformed to fcc phase under pressure just over the critical point, and under higher pressure the fraction of the fcc phase increases steadily to exceed that of the hcp phase. We have investigated the transition mechanism of iron from initial bcc to hcp/fcc and found that the transition mainly consists of compression, rotation, and shuffle.

  16. All unitary cubic curvature gravities in D dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Sisman, Tahsin Cagri; Guellue, Ibrahim; Tekin, Bayram, E-mail: sisman@metu.edu.tr, E-mail: e075555@metu.edu.tr, E-mail: btekin@metu.edu.tr [Department of Physics, Middle East Technical University, 06531 Ankara (Turkey)

    2011-10-07

    We construct all the unitary cubic curvature gravity theories built on the contractions of the Riemann tensor in D-dimensional (anti)-de Sitter spacetimes. Our construction is based on finding the equivalent quadratic action for the general cubic curvature theory and imposing ghost and tachyon freedom, which greatly simplifies the highly complicated problem of finding the propagator of cubic curvature theories in constant curvature backgrounds. To carry out the procedure we have also classified all the unitary quadratic models. We use our general results to study the recently found cubic curvature theories using different techniques and the string generated cubic curvature gravity model. We also study the scattering in critical gravity and give its cubic curvature extensions.

  17. Bulk Nanostructured FCC Steels With Enhanced Radiation Tolerance

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xinghang; Hartwig, K. Ted; Allen, Todd; Yang, Yong

    2012-10-27

    The objective of this project is to increase radiation tolerance in austenitic steels through optimization of grain size and grain boundary (GB) characteristics. The focus will be on nanocrystalline austenitic Fe-Cr-Ni alloys with an fcc crystal structure. The long-term goal is to design and develop bulk nanostructured austenitic steels with enhanced void swelling resistance and substantial ductility, and to enhance their creep resistance at elevated temperatures via GB engineering. The combination of grain refinement and grain boundary engineering approaches allows us to tailor the material strength, ductility, and resistance to swelling by 1) changing the sink strength for point defects, 2) by increasing the nucleation barriers for bubble formation at GBs, and 3) by changing the precipitate distributions at boundaries. Compared to ferritic/martensitic steels, austenitic stainless steels (SS) possess good creep and fatigue resistance at elevated temperatures, and better toughness at low temperature. However, a major disadvantage of austenitic SS is that they are vulnerable to significant void swelling in nuclear reactors, especially at the temperatures and doses anticipated in the Advanced Burner Reactor. The lack of resistance to void swelling in austenitic alloys led to the switch to ferritic/martensitic steels as the preferred material for the fast reactor cladding application. Recently a type of austenitic stainless steel, HT-UPS, was developed at ORNL, and is expected to show enhanced void swelling resistance through the trapping of point defects at nanometersized carbides. Reducing the grain size and increasing the fraction of low energy grain boundaries should reduce the available radiation-produced point defects (due to the increased sink area of the grain boundaries), should make bubble nucleation at the boundaries less likely (by reducing the fraction of high-energy boundaries), and improve the strength and ductility under radiation by producing a higher

  18. Cubic meter volume optical coherence tomography

    Science.gov (United States)

    WANG, ZHAO; POTSAID, BENJAMIN; CHEN, LONG; DOERR, CHRIS; LEE, HSIANG-CHIEH; NIELSON, TORBEN; JAYARAMAN, VIJAYSEKHAR; CABLE, ALEX E.; SWANSON, ERIC; FUJIMOTO, JAMES G.

    2017-01-01

    Optical coherence tomography (OCT) is a powerful three-dimensional (3D) imaging modality with micrometer-scale axial resolution and up to multi-GigaVoxel/s imaging speed. However, the imaging range of high-speed OCT has been limited. Here, we report 3D OCT over cubic meter volumes using a long coherence length, 1310 nm vertical-cavity surface-emitting laser and silicon photonic integrated circuit dual-quadrature receiver technology combined with enhanced signal processing. We achieved 15 µm depth resolution for tomographic imaging at a 100 kHz axial scan rate over a 1.5 m range. We show 3D macroscopic imaging examples of a human mannequin, bicycle, machine shop gauge blocks, and a human skull/brain model. High-bandwidth, meter-range OCT demonstrates new capabilities that promise to enable a wide range of biomedical, scientific, industrial, and research applications. PMID:28239628

  19. Black holes in Einsteinian cubic gravity

    CERN Document Server

    Hennigar, Robie A

    2016-01-01

    Using numerical and perturbative methods, we construct the first examples of black hole solutions in Einsteinian cubic gravity and study their thermodynamics. Focusing first on four dimensional solutions, we show that these black holes have a novel equation of state in which the pressure is a quadratic function of the temperature. Despite this, they undergo a first order phase transition with associated van der Waals behaviour. We then construct perturbative solutions for general $D \\ge 5$ and study the properties of these solutions for $D=5$ and $D=6$ in particular. We find novel examples of zeroth order phase transitions and find super-entropic behaviour over a large portion of the parameter space. We analyse the specific heat, determining that the black holes are thermodynamically stable over large regions of parameter space.

  20. Triangulation of cubic panorama for view synthesis.

    Science.gov (United States)

    Zhang, Chunxiao; Zhao, Yan; Wu, Falin

    2011-08-01

    An unstructured triangulation approach, new to our knowledge, is proposed to apply triangular meshes for representing and rendering a scene on a cubic panorama (CP). It sophisticatedly converts a complicated three-dimensional triangulation into a simple three-step triangulation. First, a two-dimensional Delaunay triangulation is individually carried out on each face. Second, an improved polygonal triangulation is implemented in the intermediate regions of each of two faces. Third, a cobweblike triangulation is designed for the remaining intermediate regions after unfolding four faces to the top/bottom face. Since the last two steps well solve the boundary problem arising from cube edges, the triangulation with irregular-distribution feature points is implemented in a CP as a whole. The triangular meshes can be warped from multiple reference CPs onto an arbitrary viewpoint by face-to-face homography transformations. The experiments indicate that the proposed triangulation approach provides a good modeling for the scene with photorealistic rendered CPs.

  1. Black holes in a cubic Galileon universe

    CERN Document Server

    Babichev, Eugeny; Lehébel, Antoine; Moskalets, Tetiana

    2016-01-01

    We find and study the properties of black hole solutions for a subclass of Horndeski theory including the cubic Galileon term. The theory under study has shift symmetry but not reflection symmetry for the scalar field. The Galileon is assumed to have linear time dependence characterized by a velocity parameter. We give analytic 3-dimensional solutions that are akin to the BTZ solutions but with a non-trivial scalar field that modifies the effective cosmological constant. We then study the 4-dimensional asymptotically flat and de Sitter solutions. The latter present three different branches according to their effective cosmological constant. For two of these branches, we find families of black hole solutions, parametrized by the velocity of the scalar field. These spherically symmetric solutions, obtained numerically, are different from GR solutions close to the black hole event horizon, while they have the same de-Sitter asymptotic behavior. The velocity parameter represents black hole primary hair.

  2. Finite element differential forms on cubical meshes

    CERN Document Server

    Arnold, Douglas N

    2012-01-01

    We develop a family of finite element spaces of differential forms defined on cubical meshes in any number of dimensions. The family contains elements of all polynomial degrees and all form degrees. In two dimensions, these include the serendipity finite elements and the rectangular BDM elements. In three dimensions they include a recent generalization of the serendipity spaces, and new H(curl) and H(div) finite element spaces. Spaces in the family can be combined to give finite element subcomplexes of the de Rham complex which satisfy the basic hypotheses of the finite element exterior calculus, and hence can be used for stable discretization of a variety of problems. The construction and properties of the spaces are established in a uniform manner using finite element exterior calculus.

  3. Capturing dynamic cation hopping in cubic pyrochlores

    Science.gov (United States)

    Brooks Hinojosa, Beverly; Asthagiri, Aravind; Nino, Juan C.

    2011-08-01

    In direct contrast to recent reports, density functional theory predicts that the most stable structure of Bi2Ti2O7 pyrochlore is a cubic Fd3¯m space group by accounting for atomic displacements. The displaced Bi occupies the 96g(x,x,z) Wyckoff position with six equivalent sites, which create multiple local minima. Using nudged elastic band method, the transition states of Bi cation hopping between equivalent minima were investigated and an energy barrier between 0.11 and 0.21 eV was determined. Energy barriers associated with the motion of Bi between equivalent sites within the 96g Wyckoff position suggest the presence of dielectric relaxation in Bi2Ti2O7.

  4. On the plane-wave cubic vertex

    CERN Document Server

    Lucietti, J; Sinha, A K; Lucietti, James; Schäfer-Nameki, Sakura; Sinha, Aninda

    2004-01-01

    The exact bosonic Neumann matrices of the cubic vertex in plane-wave light-cone string field theory are derived using the contour integration techniques developed in our earlier paper. This simplifies the original derivation of the vertex. In particular, the Neumann matrices are written in terms of \\mu-deformed Gamma-functions, thus casting them into a form that elegantly generalizes the well-known flat-space solution. The asymptotics of the \\mu-deformed Gamma-functions allow one to determine the large-\\mu behaviour of the Neumann matrices including exponential corrections. We provide an explicit expression for the first exponential correction and make a conjecture for the subsequent exponential correction terms.

  5. Polarization conversion in cubic Raman crystals

    Science.gov (United States)

    McKay, Aaron; Sabella, Alexander; Mildren, Richard P.

    2017-01-01

    Nonlinear conversion of unpolarized beams to lower frequencies is generally inefficient in c(2) materials, as it is challenging to achieve phase-matching for input ordinary and extraordinary beams simultaneously in the normal dispersion regime. Here, we show that cubic Raman crystals having doubly and triply degenerate (E and F type) modes provide a method for efficient nonlinear frequency downconversion of an unpolarized beam and yield a linearly polarized output state. Using Mueller calculus, optimal crystal directions for such polarization conversion are determined. Using diamond, an example of an F-class Raman crystal, we have verified that such conversion is possible with near quantum-defect-limited slope efficiency and a linear polarization contrast of more than 23.9 dB. PMID:28169327

  6. On the Stability of Cubic Galileon Accretion

    CERN Document Server

    Bergliaffa, Santiago P E

    2016-01-01

    We examine the stability of steady-state galileon accretion for the case of a Schwarzshild black hole. Considering the galileon action up to the cubic term in a static and spherically symmetric background we obtain the general solution for the equation of motion which is divided in two branches. By perturbing this solution we define an effective metric which determines the propagation of fluctuations. In this general picture we establish the position of the sonic horizon together with the matching condition of the two branches on it. Restricting to the case of a Schwarzschild background, we show, via the analysis of the energy of the perturbations and its time derivative, that the accreting field is linearly stable.

  7. Low pressure growth of cubic boron nitride films

    Science.gov (United States)

    Ong, Tiong P. (Inventor); Shing, Yuh-Han (Inventor)

    1997-01-01

    A method for forming thin films of cubic boron nitride on substrates at low pressures and temperatures. A substrate is first coated with polycrystalline diamond to provide a uniform surface upon which cubic boron nitride can be deposited by chemical vapor deposition. The cubic boron nitride film is useful as a substitute for diamond coatings for a variety of applications in which diamond is not suitable. any tetragonal or hexagonal boron nitride. The cubic boron nitride produced in accordance with the preceding example is particularly well-suited for use as a coating for ultra hard tool bits and abrasives, especially those intended to use in cutting or otherwise fabricating iron.

  8. Shape preserving rational cubic spline for positive and convex data

    Directory of Open Access Journals (Sweden)

    Malik Zawwar Hussain

    2011-11-01

    Full Text Available In this paper, the problem of shape preserving C2 rational cubic spline has been proposed. The shapes of the positive and convex data are under discussion of the proposed spline solutions. A C2 rational cubic function with two families of free parameters has been introduced to attain the C2 positive curves from positive data and C2 convex curves from convex data. Simple data dependent constraints are derived on free parameters in the description of rational cubic function to obtain the desired shape of the data. The rational cubic schemes have unique representations.

  9. Towards a Monochromatization Scheme for Direct Higgs Production at FCC-ee

    CERN Document Server

    Valdivia Garcia, Marco Alan; Zimmermann, Frank

    2016-01-01

    Direct Higgs production in e+e− collisions at the FCC is of interest if the centre-of-mass energy spread can be reduced by at least an order of magnitude. A monochromatization scheme, to accomplish this, can be realized with horizontal dispersion of opposite sign for the two colliding beams at the interaction point (IP). We recall historical approaches to monochromatization, then derive a set of IP parameters which would provide the required performance in FCC e+e− collisions at 62.5 GeV beam energy, compare these with the baseline optics parameters at neighbouring energies (45.6 and 80 GeV), comment on the effect of beamstrahlung, and indicate the modifications of the FCC-ee final-focus optics needed to obtain the required parameters.

  10. Precision measurement of the top quark mass at threshold with the FCC-ee

    CERN Document Server

    Foppiani, Nicolo

    2016-01-01

    The project concerns the study of the sensitivity in measuring the Top quark mass at threshold at the FCC-ee, using a Montecarlo analysis. In particular it has been developed within the FCC software framework, using a fast simulation. The work focused firstly on developing a b-tagging algorithm inside of the FCC fast simulation, managing to obtain results comparable with the ALEPH ones, and new results with a futuristic detector like ILD. Afterwards the selection of the tt events at energy close to the pair production threshold has been studied, obtaining a selection efficiency of 55 % and a background rejection at the level of 99.4 %. In the end, a list of points that can be achieved in the future, to complete the analysis, has been identified.

  11. First Design of a Proton Collimation System for 50 TeV FCC-hh

    CERN Document Server

    Fiascaris, Maria; Mirarchi, Daniele; Redaelli, Stefano

    2016-01-01

    We present studies aimed at defining a first conceptual solution for a collimation system for the hadron-hadron option for the Future Circular Collider (FCC-hh). The baseline collimation layout is based on the scaling of the present LHC collimation system to the FCC-hh energy. It currently includes a dedicated betatron cleaning insertion as well as collimators in the experimental insertions to protect the inner triplets. An aperture model for the FCC-hh is defined and the geometrical acceptance is calculated at top energy taking into account mechanical and optics imperfections. Based on these studies the collimator settings needed to protect the machine are defined. The performance of the collimation system is then assessed with particle tracking simulation tools assuming a perfect machine.

  12. The temperature behaviour of the elastic and thermodynamic properties of fcc thorium

    Energy Technology Data Exchange (ETDEWEB)

    Jaroszewicz, S., E-mail: jaroszew@tandar.cnea.gov.ar [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica, Av. Gral. Paz 1499, San Martin (Argentina); Instituto de Tecnologia Jorge A. Sabato, UNSAM-CNEA (Argentina); Mosca, H.O. [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica, Av. Gral. Paz 1499, San Martin (Argentina); Instituto de Tecnologia Jorge A. Sabato, UNSAM-CNEA (Argentina); Garces, J.E. [DAEE, Centro Atomico Bariloche, Comisin Nacional de Energia Atomica, Av. Bustillo 9500, Bariloche, Rio Negro (Argentina)

    2012-10-15

    The temperature behaviour of the structural, elastical and thermal properties of fcc thorium have been calculated from a free-parameter Helmholtz free energy developed by computing the cohesive energy from first principles calculations coupled to the Chen-Moebius lattice inversion method and the Debye-Grueneisen quasiharmonic model. The elastic constants, shear modulus, Young modulus, Poisson's ratio and thermodynamic properties of fcc Th as the entropy, the harmonic specific heat, the (P, V, T) equation of state and the thermal lattice expansion are found to be in a very good agreement with experiments and ab initio phonon calculations. The results of this work show the potentiality of the Chen-Moebius method coupled to ab initio calculation of the cohesive energy to develop a free-parameter pair potential capable of giving an overall description of fcc Th properties at T = 0 K with an error similar to ab initio calculations.

  13. Diffusion behavior and atomic mobilities for fcc Cu–Cr–Ni alloys

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Gaochi [School of Materials and Energy, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Liu, Yajun, E-mail: yajunliu@gatech.edu [School of Materials and Energy, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Lei, Fuyue [School of Materials and Energy, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Sheng, Guang [Scientific Forming Technologies Corporation, Columbus, OH 43235 (United States); Kang, Zhitao [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Georgia Tech Research Institute, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

    2015-11-15

    In this work, diffusion couples of fcc Cu–Cr–Ni alloys annealed at 1373 K for 80 h are investigated. The interdiffusion coefficients are retrieved from common compositions of two diffusion couples, which are then combined with thermodynamic descriptions to explore atomic mobilities of Cu, Cr and Ni in fcc Cu–Cr–Ni alloys within the CALPHAD framework. In order to confirm the quality of such kinetic characteristics, a comparison between calculated and experimentally measured concentration profiles of diffusion couples and diffusion paths in Gibbs triangle is made, where the agreement is excellent. The results of this study contribute to the establishment of a general Ni-based mobility database for alloy design. - Highlights: • Atomic mobilities of fcc Cu–Cr–Ni phases were determined. • Experimental interdiffusivities were critically evaluated. • Main and cross interdiffusivities show their peculiarities. • The profiles reveal kinetic importance for alloy microstructures.

  14. Atomistic simulation of fcc-bcc phase transition in single crystal A1 under uniform compression

    Institute of Scientific and Technical Information of China (English)

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

    2012-01-01

    By molecular dynamics simulations employing an embedded atom model potential,we investigate the fcc-to-bcc phase transition in single crystal Al,caused by uniform compression.Results show that the fec structure is unstable when the pressure is over 250 GPa,in reasonable agreement with the calculated value through the density functional theory.The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail.The bec (011) planes are transited from the fcc (11(1)) plane and the (1(1)1) plane.We suggest that the transition mechanism consists mainly of compression,shear,slid and rotation of the lattice.In addition,our radial distribution function analysis explicitly indicates the phase transition of A1 from fcc phase to bcc structure.

  15. Appropriate deposition parameters for formation of fcc Co-Ni alloy nanowires during electrochemical deposition process

    Science.gov (United States)

    Mukhtar, Aiman; Shahzad Khan, Babar; Mehmood, Tahir

    2016-12-01

    The effect of deposition potential on the crystal structure and composition of Co-Ni alloy nanowires is studied by XRD, FE-SEM and EDX. The alloy nanowires deposited at -3.2 V are metastable fcc phase Co-Ni. The alloy nanowires deposited at -1.8 V are hcp phase Co-Ni. The formation of the metastable fcc alloy nanowires can be attributed to smaller critical clusters formed at the high potential as the smaller critical clusters favor fcc structure because of the significant surface energy effect. The content of Co inside nanowires increases with increasing potential. This can be understood by the polarization curves of depositing Co and Ni nanowires, which show that the current density ratio of Ni to Co at low potential has larger value than that at high potential.

  16. Kinetics study of crystallization with the disorder-bcc-fcc phase transition of charged colloidal dispersions.

    Science.gov (United States)

    Zhou, Hongwei; Xu, Shenghua; Sun, Zhiwei; Du, Xuan; Liu, Lixia

    2011-06-21

    Structure transformation (disorder-bcc-fcc) in charged colloidal dispersions, as a manifestation of the Ostwald's step rule, was confirmed by means of reflection spectrum (RS) measurements in our previous study. By taking advantage of a reflection spectrum containing plenty of information about the crystallization behaviors, time-dependent changes of parameters associated with the crystal structure and composition during the disorder-bcc-fcc transition are reported by treating the data from RS in this article. In addition, Avrami's model is adopted to analyze the transition process and investigate the transition rate. On the basis of the above investigations, associated kinetic features of crystallization with the disorder-bcc-fcc transition are described.

  17. Interdiffusion and Diffusion Mobility for fcc Ni-Co-Al Alloys

    Science.gov (United States)

    Wang, Yang; Zhu, Naqiong; Wang, Hao; Lu, Xiao-Gang

    2016-12-01

    Ternary fcc Ni-Co-Al diffusion couples annealed at 1173 K (900 °C), 1373 K (1100 °C), and 1573 K (1300 °C) have been studied by using electron probe microanalysis. The interdiffusion coefficients were extracted using the Sauer-Freise and Whittle-Green methods from the measured concentration profiles of binary and ternary diffusion couples, respectively. Based on the diffusion coefficients reported in the literature and those determined in the present work, the diffusion mobilities for fcc Ni-Co-Al alloys were assessed. In general, reasonable agreements were reached and the resulted mobility database can be used to study the diffusion behavior of the ternary fcc Ni-Co-Al alloys in a wide composition range.

  18. Reducing the formation of FIB-induced FCC layers on Cu-Zn-Al austenite.

    Science.gov (United States)

    Zelaya, Eugenia; Schryvers, Dominique

    2011-01-01

    The irradiation effects of thinning a sample of a Cu-Zn-Al shape memory alloy to electron transparency by a Ga(+) focused ion beam were investigated. This thinning method was compared with conventional electropolishing and Ar(+) ion milling. No implanted Ga was detected but surface FCC precipitation was found as a result of the focused ion beam sample preparation. Decreasing the irradiation dose by lowering the energy and current of the Ga(+) ions did not lead to a complete disappearance of the FCC structure. The latter could only be removed after gentle Ar(+) ion milling of the sample. It was further concluded that the precipitation of the FCC is independent of the crystallographic orientation of the surface.

  19. Cross-talk studies between FCC-hh Experimental Interaction Regions

    CERN Document Server

    Abelleira, Jose; Appleby, Robert Barrie; Rafique, Haroon; Besana, Maria Ilaria

    2017-01-01

    Debris from 50 TeV proton-proton collisions at the main interaction point in the FCC-hh may contribute to the background in the subsequent detector. This cross-talk is of possible concern for the FCC-hh due to the high luminosity and energy of the collider. DPMJET-III is used as a collision debris generator in order to assess the muon cross-talk contribution. An analytical calculation of muon range in rock is performed. This is followed by a full Monte Carlo simulation using FLUKA, where the accelerator tunnel has been modelled. The muon cross talk between the adjacent interaction points is assessed and its implications for FCC-hh design are discussed.

  20. Preparation and Cracking Performance of FCC Co-Catalyst for Enhancing Light Oil Production

    Institute of Scientific and Technical Information of China (English)

    Wu Feiyue; Shi Li; Weng Huixin; Wang Xin

    2008-01-01

    In this paper,a FCC co-catalyst for enhancing the light oil production was prepared by the sol-gel method,and its effect on the performance of residue cracking catalysts was evaluated in a CCFFB reactor.The test results indicated that the liquid product yield increased obviously,after the surface of FCC equilibrium catalyst was impregnated with the co-catalyst.The yields of dry gas,slurry and coke decreased,while the diesel yield changed slightly.And the crackability of residue was increased; the rate of coke deposition on catalyst surface was decreased,with the thermal cracking reactions inhibited.All these results showed that the co-catalyst could improve the density of acid sites and change the catalyst acidity,which could promote to prolong the catalyst activity by depositing the co-catalyst on the surface of FCC equilibrium catalysts.

  1. A Technical and Economical Evaluation of CO2 Capture from Fluidized Catalytic Cracking (FCC Flue Gas

    Directory of Open Access Journals (Sweden)

    Digne Romina

    2014-11-01

    Full Text Available Environmental issues, related to greenhouse gas and among them CO2, are becoming short term challenges. Pressure on industries and therefore on refining to limit and manage CO2 emissions will be reinforced in next few years. Refining industry is responsible for about 2.7% of global CO2 emissions. Fluidized Catalytic Cracking unit (FCC, one of the main process in refining, represents by itself 20% of the refinery CO2 emissions. As FCC unit is present in half of the refining schemes, it is challenging to find technologies to manage its emissions. Based on an industrial case, the aims of the presented work are to determine if amine technology HiCapt+, developed for power plant, might be a relevant solution to manage FCC CO2 emissions and to evaluate the additional cost to be supported by refiners.

  2. Direct measurement of alpha_QED(mZ)at the FCC-ee

    CERN Document Server

    Janot, Patrick

    2015-01-01

    When the measurements from the FCC-ee become available, an improved determination of the standard-model "input" parameters will be needed to fully exploit the new precision data towards either constraining or fitting the parameters of beyond-the-standard-model theories. Among these input parameters is the electromagnetic coupling constant estimated at the Z mass scale, alpha_QED(mZ). The measurement of the muon forward- backward asymmetry at the FCC-ee, just below and just above the Z pole, can be used to make a direct determination of alpha_QED(mZ) with an accuracy deemed adequate for an optimal use of the FCC-ee precision data.

  3. Effects of PEO-PPO diblock impurities on the cubic structure of aqueous PEO-PPO-PEO pluronics micelles: fcc and bcc ordered structures in F127

    DEFF Research Database (Denmark)

    Mortensen, Kell; Pedersen, Walther Batsberg; Hvidt, S.

    2008-01-01

    We report on structural properties of PEO-PPO-PEO type of triblock block copolymers (Pluronics F127) with special emphasis on the effect of diblock PEO-PPO impurities on the ordered gel phase. Commercial F127 polymers contain as received roughly 20% PEO-PPO diblock and 80% PEO-PPO-PEO triblock...... copolymers. Aqueous solutions of F127 copolymers used as received form fee ordered micellar structure. Copolymers depleted with respect to the diblock impurity, resulting in a pure PEO-PPO-PEO triblock copolymer system, form bcc ordered micelles within the major parts of the gel phase. However, close...

  4. Progress towards next generation hadron colliders: FCC-hh, HE-LHC, and SPPC

    Science.gov (United States)

    Zimmermann, Frank; EuCARD-2 Extreme Beams Collaboration; Future Circular Collider (FCC) Study Collaboration

    2017-01-01

    A higher-energy circular proton collider is generally considered to be the only path available in this century for exploring energy scales well beyond the reach of the Large Hadron Collider (LHC) presently in operation at CERN. In response to the 2013 Update of the European Strategy for Particle Physics and aligned with the 2014 US ``P5'' recommendations, the international Future Circular Collider (FCC) study, hosted by CERN, is designing such future frontier hadron collider. This so-called FCC-hh will provide proton-proton collisions at a centre-of-mass energy of 100 TeV, with unprecedented luminosity. The FCC-hh energy goal is reached by combining higher-field, 16 T magnets, based on Nb3Sn superconductor, and a new 100 km tunnel connected to the LHC complex. In addition to the FCC-hh proper, the FCC study is also exploring the possibility of a High-Energy LHC (HE-LHC), with a centre-of-mass energy of 25-27 TeV, as could be achieved in the existing 27 km LHC tunnel using the FCC-hh magnet technology. A separate design effort centred at IHEP Beijing aims at developing and constructing a similar collider in China, with a smaller circumference of about 54 km, called SPPC. Assuming even higher-field 20 T magnets, by relying on high-temperature superconductor, the SPPC could reach a c.m. energy of about 70 TeV. This presentation will report the motivation and the present status of the R&D for future hadron colliders, a comparison of the three designs under consideration, the major challenges, R&D topics, the international technology programs, and the emerging global collaboration. Work supported by the European Commission under Capacities 7th Framework Programme project EuCARD-2, Grant Agreement 312453, and the HORIZON 2020 project EuroCirCol, Grant Agreement 654305.

  5. Updates on the optics of the future hadron-hadron collider FCC-hh

    CERN Document Server

    Chance, Antoine; Dalena, Barbara; Holzer, Bernhard; Langner, Andy Sven; Schulte, Daniel

    2017-01-01

    The FCC-hh (Future Hadron-Hadron Circular Collider) is one of the three options considered for the next generation accelerator in high-energy physics as recommended by the European Strategy Group. The layout of FCC-hh has been optimized to a more compact design following recommendations from civil engineering aspects. The updates on the first order and second order optics of the ring will be shown for collisions at the required centre-of-mass energy of 100 TeV. Special emphasis is put on the dispersion suppressors and general beam cleaning sections as well as first considerations of injection and extraction sections.

  6. Esfuerzo triaxial ideal de Ti, Zr y Hf con estructura fcc: un estudio de primeros principios

    OpenAIRE

    A. Bautista Hernández; J.H. Camacho García; M. Salazar Villanueva; E. Chigo Anota; A. Macias Cervantes

    2011-01-01

    A temperatura y presión ambiente el Ti, Zr y Hf cristalizan en la fase hexagonal compacta. Recientemente se ha reportado que estos elementos son élasticamente metaestables [14] en la estructura cúbica centrada en las caras (fcc). En este trabajo presentamos el esfuerzo triaxial ideal de los metales Ti, Zr y Hf con estructura fcc, obtenido mediante cálculos de primeros principios usando la teoría del funcional de la densidad. Se usó la aproximación de gradiente generalizado y local de la densi...

  7. Determination of Sulfides in FCC Gasoline by Using the Potentiometric Titration of Lead Tetraacetate

    Institute of Scientific and Technical Information of China (English)

    罗立文; 夏道宏

    2004-01-01

    Compared with conventional method of violet spectrum, determination of the content of sulfides in fluid catalytic cracking (FCC) gasoline by using the potentiometric titration of lead tetraacetate has some advantages such as clear potentiometric abrupt change at the stoichiometric point, stable potentiometric value, exact and credible results, and simple operation. The content of sulfides in FCC gasoline of Shenghua refinery is 0.136% by this method. The standard deviation about this method is less than 0.01% and the relative standard deviation is less than 2.42%.

  8. Study on Reaction Mechanism for Cracking FCC Gasoline on Acid Catalyst

    Institute of Scientific and Technical Information of China (English)

    Xu Youhao; Wang Xieqing

    2004-01-01

    This article is based on the experimental data on reaction of FCC naphtha in the presence of acid catalysts. The data published in the literature were reprocessed and compared with experimental data and the relationship of hydrogen and methane contained in the dry gas with the conversion rate was identified.The similarity between the route for cracking of olefin enriched FCC gasoline and the route for reaction of individual hydrocarbons was deduced, while the route for formation of ethylene in dry gas was also proposed to identify the relationship between the reaction path for formation of ethylene and the conversion rate.

  9. Calculation of the surface energy of fcc metals with modified embedded-atom method

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian-Min; Ma Fei; Xu Ke-Wei

    2004-01-01

    The surface energies for 38 surfaces of fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Rh and Ir have been calculated by using the modified embedded-atom method. The results show that, for Cu, Ag, Ni, Al, Pb and Ir, the average values of the surface energies are very close to the polycrystalline experimental data. For all fcc metals, as predicted, the close-packed (111) surface has the lowest surface energy. The surface energies for the other surfaces increase linearly with increasing angle between the surfaces (hkl) and (111). This can be used to estimate the relative values of the surface energy.

  10. Ultrasonic Products FCC PART 18 Test Methods%超声波产品FCC PART 18的测试方法

    Institute of Scientific and Technical Information of China (English)

    吴建宏

    2015-01-01

    针对超声波产品出口美国的FCC认证要求,对此类产品FCC Part 18的测试进行了解读,阐述了详细技术要求以及跟其它产品测试方法的不同,并对此注意事项进行了分析.

  11. Increase of propylene production and recovery in a PETROBRAS FCC units; Aumento da producao e recuperacao de propeno em uma Unidade de FCC da PETROBRAS

    Energy Technology Data Exchange (ETDEWEB)

    Penna, Elisangela Melo; Pinho, Andrea de Rezende; Wolff, Marcelo Straubel [Petroleo Brasileiro S.A (PETROBRAS), Rio de Janeiro, RJ (Brazil)

    2012-07-01

    Propylene is one of the major petrochemical raw materials and its demand has been growing rapidly in recent years. Projections for future years indicate that the growth in propylene production via pyrolysis tends to be lower than the growth in the demand for ethylene, creating a supply deficit of this product. The FCC units are in a unique position to meet this increase in propylene demand due to its operational flexibility. Although their primary function in recent decades has been the gasoline production, FCC units are often operated for maximizing other products, such as LPG or distillates. At the FCC conversion section, the increase of propylene yield requires some increase in reaction severity, which can be obtained by increasing reactor riser temperature, and the use of catalyst additives based on ZSM-5. However, besides maximizing the propylene production in the reactor, a second objective should be pursued: the propylene recovery increase in the gas recovery section. In this section, the yield is affected by the gas compressor performance, the equipment design and process scheme. Eventually, new equipment may be installed, such as chillers, aimed at improving the absorption system. Predicting a real increase in propylene demand in the Brazilian market, this study aims to evaluate the adequacy of the gas recovery section of a PETROBRAS FCC unit, analyzing the impacts that a new products yields profile, which bend the propylene production compared to a conventional operation, would cause on this unit. In this paper, the main limitations and modifications that would be needed for an operation were identified, aiming at maximizing the propylene production, as well as proposed changes in the hardware of the unit. (author)

  12. Maximizing light olefins production in fluid catalytic cracking (FCC) units; Maximizacao de olefinas leves em unidades de craqueamento catalitico fluido

    Energy Technology Data Exchange (ETDEWEB)

    Pimenta, Ricardo D.M.; Pinho, Andrea de Rezende [PETROBRAS, Rio de Janeiro, RJ (Brazil)

    2004-07-01

    The Fluid Catalytic Cracking (FCC) process is widely spread over the ten PETROBRAS refineries in its thirteen industrial units. The importance of the FCC process resides on its high gasoline output, being the main supplier of this important product to the system. Additionally, FCC process is the main source of light hydrocarbons in the LPG range, including light olefins. The increasing demand for ethylene, propylene and butylenes was encouraging to concentrate the research efforts on studies about alternatives for the traditional FCC process. In the present work, the proposals from main licensors (UOP, KBR, Stone and Webster) for a light-olefins-driven FCC process (Petrochemical FCC) will be compared. Furthermore, the catalytic route for light olefins production in FCC units is also described. An additive based on ZSM- 5 zeolite, which is produced following a PETROBRAS proprietary technology, is being largely applied into the catalyst inventories of all FCC units. An analysis of different scenarios was performed to estimate the maximum potential of light olefins production from the highest possible ZSM-5 additive usage. More specifically for the case of ethylene, which production is also boosted by the same type of additive, studies are being conducted with the objective of recovering it from a C2 stream using specific units to do the splitting (UPGR). The search for increasing light olefins production in the refining processes is in line with PETROBRAS strategic plan which targeted for the company a more intense activity in the Brazilian petrochemical market (author)

  13. Maximizing light olefins production in fluid catalytic cracking (FCC) units; Maximizacao de olefinas leves em unidades de craqueamento catalitico fluido

    Energy Technology Data Exchange (ETDEWEB)

    Pimenta, Ricardo D.M.; Pinho, Andrea de Rezende [PETROBRAS, Rio de Janeiro, RJ (Brazil)

    2004-07-01

    The Fluid Catalytic Cracking (FCC) process is widely spread over the ten PETROBRAS refineries in its thirteen industrial units. The importance of the FCC process resides on its high gasoline output, being the main supplier of this important product to the system. Additionally, FCC process is the main source of light hydrocarbons in the LPG range, including light olefins. The increasing demand for ethylene, propylene and butylenes was encouraging to concentrate the research efforts on studies about alternatives for the traditional FCC process. In the present work, the proposals from main licensors (UOP, KBR, Stone and Webster) for a light-olefins-driven FCC process (Petrochemical FCC) will be compared. Furthermore, the catalytic route for light olefins production in FCC units is also described. An additive based on ZSM- 5 zeolite, which is produced following a PETROBRAS proprietary technology, is being largely applied into the catalyst inventories of all FCC units. An analysis of different scenarios was performed to estimate the maximum potential of light olefins production from the highest possible ZSM-5 additive usage. More specifically for the case of ethylene, which production is also boosted by the same type of additive, studies are being conducted with the objective of recovering it from a C2 stream using specific units to do the splitting (UPGR). The search for increasing light olefins production in the refining processes is in line with PETROBRAS strategic plan which targeted for the company a more intense activity in the Brazilian petrochemical market (author)

  14. CRACK PROBLEM UNDER SHEAR LOADING IN CUBIC QUASICRYSTAL

    Institute of Scientific and Technical Information of China (English)

    周旺民; 范天佑; 尹姝媛

    2003-01-01

    The axisymmetric elasticity problem of cubic quasicrystal is reduced to a single higher-order partial differential equation by introducing a displacement function. Based on the work, the analytic solutions of elastic field of cubic quasicrystal with a penny-shaped crack under the shear loading are found, and the stress intensity factor and strain energy release rate are determined.

  15. Cubic Polynomials with Real or Complex Coefficients: The Full Picture

    Science.gov (United States)

    Bardell, Nicholas S.

    2016-01-01

    The cubic polynomial with real coefficients has a rich and interesting history primarily associated with the endeavours of great mathematicians like del Ferro, Tartaglia, Cardano or Vieta who sought a solution for the roots (Katz, 1998; see Chapter 12.3: The Solution of the Cubic Equation). Suffice it to say that since the times of renaissance…

  16. An application of Cubical Cohomology to Adinkras and Supersymmetry Representations

    CERN Document Server

    Doran, Charles; Landweber, Greg

    2012-01-01

    An Adinkra is a class of graphs with certain signs marking its vertices and edges, which encodes off-shell representations of the super Poincar\\'e algebra. The markings on the vertices and edges of an Adinkra are cochains for cubical cohomology. This article explores the cubical cohomology of Adinkras, treating these markings analogously to characteristic classes on smooth manifolds.

  17. Fluid Catalytic Cracking Feed Hydrotreatment and its Impact on Distribution of Sulfur and Nitrogen Compounds in FCC Diesel

    Institute of Scientific and Technical Information of China (English)

    Bai Rui; Chai Yongming; Zhang Chengtao; Liu Chenguang

    2015-01-01

    The sulfides and nitrogen compounds in FCC diesel were analyzed by gas chromatography equipped with a pulsed lfame photometric detector (GC-PFPD) and gas chromatography coupled with nitrogen chemiluminescence detection (GC-NCD). And the variation of sulifdes and nitrogen compounds in FCC diesel produced from gas oil feed hydrotreated at different temperatures was investigated. The test results showed that two main types of sulfur compounds, i.e. benzothio-phenes (BTs) and dibenzothiophenes (DBTs) were found in diesel. Nitrogen compounds are mainly composed of non-basic nitrogen compounds, and indoles and carbazoles account for about 98% of the total nitrogen contents. The sulifdes in FCC diesel obtained from hydrotreated feed are mainly BTs with a small amount of 4-MDBT and 4,6-DMDBT. With the increase in FCC feed hydrotreating temperature, indoles content in FCC diesel increases, while carbazoles content decreases.

  18. Rational Cubics and Conics Representation: A Practical Approach

    Directory of Open Access Journals (Sweden)

    M. Sarfraz

    2012-08-01

    Full Text Available A rational cubic spline, with one family of shape parameters, has been discussed with the view to its application in Computer Graphics. It incorporates both conic sections and parametric cubic curves as special cases. The parameters (weights, in the description of the spline curve can be used to modify the shape of the curve, locally and globally, at the knot intervals. The rational cubic spline attains parametric   smoothness whereas the stitching of the conic segments preserves visually reasonable smoothness at the neighboring knots. The curve scheme is interpolatory and can plot parabolic, hyperbolic, elliptic, and circular splines independently as well as bits and pieces of a rational cubic spline.Key Words: Computer Graphics, Interpolation, Spline, Conic, Rational Cubic

  19. On cubic equations over $P-$adic field

    CERN Document Server

    Mukhamedov, Farrukh; Saburov, Mansoor

    2012-01-01

    We provide a solvability criteria for a depressed cubic equation in domains $\\bz_p^{*},\\bz_p,\\bq_p$. We show that, in principal, the Cardano method is not always applicable for such equations. Moreover, the numbers of solutions of the depressed cubic equation in domains $\\bz_p^{*},\\bz_p,\\bq_p$ are provided. Since $\\bbf_p\\subset\\bq_p,$ we generalize J.-P. Serre's \\cite{JPSJ} and Z.H.Sun's \\cite{ZHS1,ZHS3} results concerning with depressed cubic equations over the finite field $\\bbf_p$. Finally, all depressed cubic equations, for which the Cardano method could be applied, are described and the $p-$adic Cardano formula is provided for those cubic equations.

  20. The Body Center Cubic Quark Lattice Model

    CERN Document Server

    Lin Xu, Jiao

    2004-01-01

    The Standard Model while successful in many ways is incomplete; many questions remain. The origin of quark masses and hadronization of quarks are awaiting an answer. From the Dirac sea concept, we infer that two kinds of elementary quarks (u(0) and d(0)) constitute a body center cubic (BCC) quark lattice with a lattice constant a < $10^{-18}$m in the vacuum. Using energy band theory and the BCC quark lattice, we can deduce the rest masses and the intrinsic quantum numbers (I, S, C, b and Q) of quarks. With the quark spectrum, we deduce a baryon spectrum. The theoretical spectrum is in agreement well with the experimental results. Not only will this paper provide a physical basis for the Quark Model, but also it will open a door to study the more fundamental nature at distance scales <$10^{-18}$m. This paper predicts some new quarks $u_{c}$(6490) and d$_{b}$(9950), and new baryons $\\Lambda_{c}^{+}$(6500), $\\Lambda_{b}^{0}$(9960).

  1. STUDIES OF FCC HEISENBERG ANTIFERROMAGNETS BY MONTE CARLO SIMULATION ON LARGE SPIN ARRAYS

    OpenAIRE

    Minor, W.; Giebultowicz, T.

    1988-01-01

    We report Monte Carlo studies of fcc Heisenberg antiferromagnets carried out on arrays with 108,000 spins. A lattice with only JNN ≠ 0 was found to exhibit a Type I AF order despite the disordered nature of its ground state. Contrary to previous reports, our data indicate in this case a first order phase transition.

  2. Nitrogen Chemistry and Coke Transformation of FCC Coked Catalyst during the Regeneration Process.

    Science.gov (United States)

    Shi, Junjun; Guan, Jianyu; Guo, Dawei; Zhang, Jiushun; France, Liam John; Wang, Lefu; Li, Xuehui

    2016-06-08

    Regeneration of the coked catalyst is an important process of fluid catalytic cracking (FCC) in petroleum refining, however, this process will emit environmentally harmful gases such as nitrogen and carbon oxides. Transformation of N and C containing compounds in industrial FCC coke under thermal decomposition was investigated via TPD and TPO to examine the evolved gaseous species and TGA, NMR and XPS to analyse the residual coke fraction. Two distinct regions of gas evolution are observed during TPD for the first time, and they arise from decomposition of aliphatic carbons and aromatic carbons. Three types of N species, pyrrolic N, pyridinic N and quaternary N are identified in the FCC coke, the former one is unstable and tends to be decomposed into pyridinic and quaternary N. Mechanisms of NO, CO and CO2 evolution during TPD are proposed and lattice oxygen is suggested to be an important oxygen resource. Regeneration process indicates that coke-C tends to preferentially oxidise compared with coke-N. Hence, new technology for promoting nitrogen-containing compounds conversion will benefit the in-situ reduction of NO by CO during FCC regeneration.

  3. An alternative explanation for epitaxial growth. The case of fcc(111) on bcc(110)

    DEFF Research Database (Denmark)

    Grey, F.; Bohr, J.

    1993-01-01

    Starting from basic observations concerning commensurate structures, a simple explanation is given for the existence of energetically stable states of an fcc(111) adsorbate on a bcc(110) substrate, as a function of the mismatch and relative orientation of the two lattices. Numerical simulations...

  4. Band structure of fcc-C60 solid state crystal study

    Directory of Open Access Journals (Sweden)

    S Javanbakht

    2009-09-01

    Full Text Available We studied the architecture of the C60 cluster to drive its atomic positions which can be seen at room temperature. We then used the obtained carbon positions as a basis set for the fcc structure to construct the fcc-C60 compound. Self consistent calculations were performed based on the density functional theory (DFT utilizing the accurate WIEN2K code to solve the single-particle Kohen-Sham equation within the augmented plane waves plus local orbital (APW+lo method. The cohesive energy has been found to be 1.537 eV for the fcc-C60 . The calculated small cohesive energy that results from the weak Van der Waals-London interactions among a C60 cluster with its nearest neighbors is in good agreement with experiment. The electron densities of states (DOSs were calculated for a C60 macromolecule as well as the fcc-C60 compound and the results were compared with each other. The band gap from DOS calculations has been found to be 0.7 eV. Band structures were also calculated within the generalized gradient approximation (GGA. The band structure calculation results in 1.04 eV for the direct band gap. Two kinds of σ and π bonds were determined in the band structure. Our results are in good agreement with experiment and pseudopotential calculations.

  5. Broadband over power lines in the U.S. : FCC update

    Energy Technology Data Exchange (ETDEWEB)

    Romano, B. [Federal Communications Commission, Washington, DC (United States). Office of Engineering and Technology

    2005-07-01

    This presentation provided an update by the Federal Communications Commission (FCC) on broadband over power lines (BPL) in the United States. It described why the FCC has a role in BPL and presented the different types of BPL including in-house and access BPL. The presentation outlined BPL products and installation such as a coupler, backhaul-point, and bridge. Section 301 of the Communications Act and the statutory mandate of the FCC were discussed. Next, a background of unlicensed operations, regulation of low-power devices and other regulations relating to BPL were presented along with access BPL rule making and its objectives. These included removing regulatory uncertainty to encourage investments in BPL; promoting development of Access BPL technology to allow consumers to reap its benefits; and, ensuring protection of licensed radio services. Access BPL rules, database requirements, and equipment authorization were presented in detail. Last, the presentation discussed mitigation requirements, transition time, and next steps. The future of BPL was also discussed with reference to notable cheerleaders of BPL, FCC interest in BPL, the benefits of BPL, and local impediments. 1 tab., 5 figs.

  6. Nitrogen Chemistry and Coke Transformation of FCC Coked Catalyst during the Regeneration Process

    Science.gov (United States)

    Shi, Junjun; Guan, Jianyu; Guo, Dawei; Zhang, Jiushun; France, Liam John; Wang, Lefu; Li, Xuehui

    2016-01-01

    Regeneration of the coked catalyst is an important process of fluid catalytic cracking (FCC) in petroleum refining, however, this process will emit environmentally harmful gases such as nitrogen and carbon oxides. Transformation of N and C containing compounds in industrial FCC coke under thermal decomposition was investigated via TPD and TPO to examine the evolved gaseous species and TGA, NMR and XPS to analyse the residual coke fraction. Two distinct regions of gas evolution are observed during TPD for the first time, and they arise from decomposition of aliphatic carbons and aromatic carbons. Three types of N species, pyrrolic N, pyridinic N and quaternary N are identified in the FCC coke, the former one is unstable and tends to be decomposed into pyridinic and quaternary N. Mechanisms of NO, CO and CO2 evolution during TPD are proposed and lattice oxygen is suggested to be an important oxygen resource. Regeneration process indicates that coke-C tends to preferentially oxidise compared with coke-N. Hence, new technology for promoting nitrogen-containing compounds conversion will benefit the in-situ reduction of NO by CO during FCC regeneration. PMID:27270486

  7. Overview of design development of FCC-hh Experimental Interaction Regions

    CERN Document Server

    Seryi, Andrei; Cruz Alaniz, Emilia; Van Riesen-Haupt, Leon; Benedikt, Michael; Besana, Maria Ilaria; Buffat, Xavier; Burkhardt, Helmut; Cerutti, Francesco; Langner, Andy Sven; Martin, Roman; Riegler, Werner; Schulte, Daniel; Tomas Garcia, Rogelio; Appleby, Robert Barrie; Rafique, Haroon; Barranco Garcia, Javier; Pieloni, Tatiana; Boscolo, Manuela; Collamati, Francesco; Nevay, Laurence James; Hofer, Michael

    2017-01-01

    The experimental interaction region (EIR) is one of the key areas that define the performance of the Future Circular Collider. In this overview we will describe the status and the evolution of the design of EIR of FCC-hh, focusing on design of the optics, energy deposition in EIR elements, beam-beam effects and machine detector interface issues.

  8. Formation of deformation substructures in FCC crystals under the influence of point defect fluxes

    OpenAIRE

    Matveev, M. V.; Selivanikova, Olga Valerievna; Cherepanov, Dmitry Nikolaevich

    2016-01-01

    The article deals with sub-structural transformations in FCC crystals under the influence of point defect fluxes. Different relationships between accumulation of point defects in crystal and substructure transformations, in particular during the process of fragmented dislocation structure formation have been received.

  9. Nitrogen Chemistry and Coke Transformation of FCC Coked Catalyst during the Regeneration Process

    Science.gov (United States)

    Shi, Junjun; Guan, Jianyu; Guo, Dawei; Zhang, Jiushun; France, Liam John; Wang, Lefu; Li, Xuehui

    2016-06-01

    Regeneration of the coked catalyst is an important process of fluid catalytic cracking (FCC) in petroleum refining, however, this process will emit environmentally harmful gases such as nitrogen and carbon oxides. Transformation of N and C containing compounds in industrial FCC coke under thermal decomposition was investigated via TPD and TPO to examine the evolved gaseous species and TGA, NMR and XPS to analyse the residual coke fraction. Two distinct regions of gas evolution are observed during TPD for the first time, and they arise from decomposition of aliphatic carbons and aromatic carbons. Three types of N species, pyrrolic N, pyridinic N and quaternary N are identified in the FCC coke, the former one is unstable and tends to be decomposed into pyridinic and quaternary N. Mechanisms of NO, CO and CO2 evolution during TPD are proposed and lattice oxygen is suggested to be an important oxygen resource. Regeneration process indicates that coke-C tends to preferentially oxidise compared with coke-N. Hence, new technology for promoting nitrogen-containing compounds conversion will benefit the in-situ reduction of NO by CO during FCC regeneration.

  10. 78 FR 44121 - FCC Extends Reply Comment Dates for Indecency Cases Policy

    Science.gov (United States)

    2013-07-23

    ... COMMISSION FCC Extends Reply Comment Dates for Indecency Cases Policy AGENCY: Federal Communications... concerns. Therefore, the extended deadline for filing reply comments is August 2, 2013. DATES: Reply... file reply comments on or before the date indicated on the first page of this document. Reply...

  11. Large difference in the elastic properties of fcc and hcp hard-sphere crystals

    NARCIS (Netherlands)

    Pronk, S.; Frenkel, D.

    2003-01-01

    We report a numerical calculation of the elastic constants of the fcc and hcp crystal phases of monodisperse hard-sphere colloids. Surprisingly, some of these elastic constants are very different (up to 20%), even though the free-energy, pressure, and bulk compressibility of the two crystal structur

  12. Insulating fcc YH3-δ stabilized by MgH2

    NARCIS (Netherlands)

    Molen, van der S.J.; Nagengast, D.G.; Gogh, van A.T.M.; Kalkman, J.; Kooij, E.S.; Rector, J.H.; Griessen, R.

    2001-01-01

    We study the structural, optical, and electrical properties of MgzY1-z switchable mirrors upon hydrogenation. It is found that the alloys disproportionate into essentially pure YH3-δ and MgH2 with the crystal structure of YH3-δ dependent on the Mg concentration z. For 0fcc YH3-δ

  13. 5 CFR 3902.102 - Employees required to submit FCC Form A54A, “Confidential Supplemental Statement of Employment...

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Employees required to submit FCC Form... REQUIREMENTS FOR EMPLOYEES OF THE FEDERAL COMMUNICATIONS COMMISSION § 3902.102 Employees required to submit FCC... file FCC Form A54A, “Confidential Supplemental Statement of Employment and Financial Interests.”...

  14. 47 CFR 3.53 - FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s).

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC notification of refusal to provide...-SATELLITE RADIO SERVICES Settlement Operations § 3.53 FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s). An accounting authority must inform the FCC...

  15. Multimetallic nanoparticle catalysts with enhanced electrooxidation

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shouheng; Zhang, Sen; Zhu, Huiyuan; Guo, Shaojun

    2015-07-28

    A new structure-control strategy to optimize nanoparticle catalysis is provided. The presence of Au in FePtAu facilitates FePt structure transformation from chemically disordered face centered cubic (fcc) structure to chemically ordered face centered tetragonal (fct) structure, and further promotes formic acid oxidation reaction (FAOR). The fct-FePtAu nanoparticles show high CO poisoning resistance, achieve mass activity as high as about 2810 mA/mg Pt, and retain greater than 90% activity after a 13 hour stability test.

  16. Multimetallic nanoparticle catalysts with enhanced electrooxidation

    Science.gov (United States)

    Sun, Shouheng; Zhang, Sen; Zhu, Huiyuan; Guo, Shaojun

    2015-07-28

    A new structure-control strategy to optimize nanoparticle catalysis is provided. The presence of Au in FePtAu facilitates FePt structure transformation from chemically disordered face centered cubic (fcc) structure to chemically ordered face centered tetragonal (fct) structure, and further promotes formic acid oxidation reaction (FAOR). The fct-FePtAu nanoparticles show high CO poisoning resistance, achieve mass activity as high as about 2810 mA/mg Pt, and retain greater than 90% activity after a 13 hour stability test.

  17. Cubic B-spline curve approximation by curve unclamping

    OpenAIRE

    Chen, Xiao-Diao; Ma, Weiyin; Paul, Jean-Claude

    2010-01-01

    International audience; A new approach for cubic B-spline curve approximation is presented. The method produces an approximation cubic B-spline curve tangent to a given curve at a set of selected positions, called tangent points, in a piecewise manner starting from a seed segment. A heuristic method is provided to select the tangent points. The first segment of the approximation cubic B-spline curve can be obtained using an inner point interpolation method, least-squares method or geometric H...

  18. On q-power cycles in cubic graphs

    DEFF Research Database (Denmark)

    Bensmail, Julien

    2017-01-01

    In the context of a conjecture of Erdos and Gyárfás, we consider, for any q ≥ 2, the existence of q-power cycles (i.e. with length a power of q) in cubic graphs. We exhibit constructions showing that, for every q ≥ 3, there exist arbitrarily large cubic graphs with no q-power cycles. Concerning...... the remaining case q = 2 (which corresponds to the conjecture of Erdos and Gyárfás), we show that there exist arbitrarily large cubic graphs whose only 2-power cycles have length 4 only, or 8 only....

  19. On q-power cycles in cubic graphs

    DEFF Research Database (Denmark)

    Bensmail, Julien

    2016-01-01

    In the context of a conjecture of Erdos and Gyárfás, we consider, for any q ≥ 2, the existence of q-power cycles (i.e. with length a power of q) in cubic graphs. We exhibit constructions showing that, for every q ≥ 3, there exist arbitrarily large cubic graphs with no q-power cycles. Concerning...... the remaining case q = 2 (which corresponds to the conjecture of Erdos and Gyárfás), we show that there exist arbitrarily large cubic graphs whose only 2-power cycles have length 4 only, or 8 only....

  20. The compressibility of cubic white and orthorhombic, rhombohedral, and simple cubic black phosphorus

    Energy Technology Data Exchange (ETDEWEB)

    Clark, Simon M; Zaug, Joseph

    2010-03-10

    The effect of pressure on the crystal structure of white phosphorus has been studied up to 22.4 GPa. The ?alpha phase was found to transform into the alpha' phase at 0.87 +- 0.04 GPa with a volume change of 0.1 +- 0.3 cc/mol. A fit of a second order Birch- Murnaghan equation to the data gave Vo = 16.94 ? 0.08 cc/mol and Ko = 6.7 +- 0.5 GPa for the alpha phase and Vo = 16.4 +- 0.1 cc/mol and Ko = 9.1 +- 0.3 GPa for the alpha' phase. The alpha' phase was found to transform to the A17 phase of black phosphorus at 2.68 +- 0.34 GPa and then with increasing pressure to the A7 and then simple cubic phase of black phosphorus. A fit of a second order Birch-Murnaghan equation to our data combined with previous measurements gave Vo = 11.43 +- 0.05 cc/mol and Ko = 34.7 +- 0.5 GPa for the A17 phase, Vo = 9.62 +- 0.01 cc/mol and Ko = 65.0 +- 0.6 GPa for the A7 phase and , Vo = 9.23 +- 0.01 cc/mol and Ko = 72.5 +- 0.3 GPa for the simple cubic phase.