Preconditioning cubic spline collocation method by FEM and FDM for elliptic equations

Energy Technology Data Exchange (ETDEWEB)

Kim, Sang Dong [KyungPook National Univ., Taegu (Korea, Republic of)

1996-12-31

In this talk we discuss the finite element and finite difference technique for the cubic spline collocation method. For this purpose, we consider the uniformly elliptic operator A defined by Au := -{Delta}u + a{sub 1}u{sub x} + a{sub 2}u{sub y} + a{sub 0}u in {Omega} (the unit square) with Dirichlet or Neumann boundary conditions and its discretization based on Hermite cubic spline spaces and collocation at the Gauss points. Using an interpolatory basis with support on the Gauss points one obtains the matrix A{sub N} (h = 1/N).

Negative pressure driven valence instability of Eu in cubic Eu0.4La0.6Pd3

International Nuclear Information System (INIS)

Pandey, Abhishek; Mazumdar, Chandan; Ranganathan, R

2009-01-01

We report the change in the valency of Eu-ions in the binary intermetallic cubic compound EuPd 3 induced by La doping at rare-earth sites. Doping of La generates negative chemical pressure in the lattice, resulting in a significant increase of the lattice parameter without altering the simple-cubic structure of the compound. Results of dc-magnetic measurements suggest that this increase in the lattice parameter is associated with the valence transition of Eu-ions from Eu 3+ to a mixed-valent state. As Eu 2+ -ions possess a large magnetic moment, this valence transition significantly modifies the magnetic behavior of the compound. In contrast to introducing boron at the vacant body center site of the unit cell to change the valency of Eu-ions, as in the case of EuPd 3 B, our results suggest it can also be altered by doping a rare-earth ion of larger size at the lattice site of Eu in EuPd 3 .

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

Chapter 6: cubic membranes the missing dimension of cell membrane organization.

Science.gov (United States)

Almsherqi, Zakaria A; Landh, Tomas; Kohlwein, Sepp D; Deng, Yuru

2009-01-01

Biological membranes are among the most fascinating assemblies of biomolecules: a bilayer less than 10 nm thick, composed of rather small lipid molecules that are held together simply by noncovalent forces, defines the cell and discriminates between "inside" and "outside", survival, and death. Intracellular compartmentalization-governed by biomembranes as well-is a characteristic feature of eukaryotic cells, which allows them to fulfill multiple and highly specialized anabolic and catabolic functions in strictly controlled environments. Although cellular membranes are generally visualized as flat sheets or closely folded isolated objects, multiple observations also demonstrate that membranes may fold into "unusual", highly organized structures with 2D or 3D periodicity. The obvious correlation of highly convoluted membrane organizations with pathological cellular states, for example, as a consequence of viral infection, deserves close consideration. However, knowledge about formation and function of these highly organized 3D periodic membrane structures is scarce, primarily due to the lack of appropriate techniques for their analysis in vivo. Currently, the only direct way to characterize cellular membrane architecture is by transmission electron microscopy (TEM). However, deciphering the spatial architecture solely based on two-dimensionally projected TEM images is a challenging task and prone to artifacts. In this review, we will provide an update on the current progress in identifying and analyzing 3D membrane architectures in biological systems, with a special focus on membranes with cubic symmetry, and their potential role in physiological and pathophysiological conditions. Proteomics and lipidomics approaches in defined experimental cell systems may prove instrumental to understand formation and function of 3D membrane morphologies.

Highly Aminated Mesoporous Silica Nanoparticles with Cubic Pore Structure

KAUST Repository

Suteewong, Teeraporn; Sai, Hiroaki; Cohen, Roy; Wang, Suntao; Bradbury, Michelle; Baird, Barbara; Gruner, Sol M.; Wiesner, Ulrich

2011-01-01

Mesoporous silica with cubic symmetry has attracted interest from researchers for some time. Here, we present the room temperature synthesis of mesoporous silica nanoparticles possessing cubic Pm3n symmetry with very high molar ratios (>50%) of 3-aminopropyl triethoxysilane. The synthesis is robust allowing, for example, co-condensation of organic dyes without loss of structure. By means of pore expander molecules, the pore size can be enlarged from 2.7 to 5 nm, while particle size decreases. Adding pore expander and co-condensing fluorescent dyes in the same synthesis reduces average particle size further down to 100 nm. After PEGylation, such fluorescent aminated mesoporous silica nanoparticles are spontaneously taken up by cells as demonstrated by fluorescence microscopy.

Highly Aminated Mesoporous Silica Nanoparticles with Cubic Pore Structure

KAUST Repository

Suteewong, Teeraporn

2011-01-19

Mesoporous silica with cubic symmetry has attracted interest from researchers for some time. Here, we present the room temperature synthesis of mesoporous silica nanoparticles possessing cubic Pm3n symmetry with very high molar ratios (>50%) of 3-aminopropyl triethoxysilane. The synthesis is robust allowing, for example, co-condensation of organic dyes without loss of structure. By means of pore expander molecules, the pore size can be enlarged from 2.7 to 5 nm, while particle size decreases. Adding pore expander and co-condensing fluorescent dyes in the same synthesis reduces average particle size further down to 100 nm. After PEGylation, such fluorescent aminated mesoporous silica nanoparticles are spontaneously taken up by cells as demonstrated by fluorescence microscopy.

Orientation dependence of the dislocation microstructure in compressed body-centered cubic molybdenum

International Nuclear Information System (INIS)

Wang, S.; Wang, M.P.; Chen, C.; Xiao, Z.; Jia, Y.L.; Li, Z.; Wang, Z.X.

2014-01-01

The orientation dependence of the deformation microstructure has been investigated in commercial pure molybdenum. After deformation, the dislocation boundaries of compressed molybdenum can be classified, similar to that in face-centered cubic metals, into three types: dislocation cells (Type 2), and extended planar boundaries parallel to (Type 1) or not parallel to (Type 3) a (110) trace. However, it shows a reciprocal relationship between face-centered cubic metals and body-centered cubic metals on the orientation dependence of the deformation microstructure. The higher the strain, the finer the microstructure is and the smaller the inclination angle between extended planar boundaries and the compression axis is. - Highlights: • A reciprocal relationship between FCC metals and BCC metals is confirmed. • The dislocation boundaries can be classified into three types in compressed Mo. • The dislocation characteristic of different dislocation boundaries is different

Electronic properties and bulk moduli of new boron nitride polymorphs, i.e., hyperdiamond B12N12 and simple cubic B24N24, B12N12 fulborenites

International Nuclear Information System (INIS)

Pokropivny, V. V.; Bekenev, V. L.

2006-01-01

The energy-band structure, density of states, electron density distribution, equation of state, and bulk moduli of three boron-nitride fulborenite crystals, i.e., B 12 N 12 with diamond lattice and B 24 N 24 , B 12 N 12 with simple cubic lattice, whose sites contain fulborene B 12 N 12 and B 24 N 24 molecules, are calculated for the first time using the full-potential linearized augmented plane wave method. The following hyperdiamond B 12 N 12 parameters were obtained: the equilibrium lattice parameter a = 1.1191 nm, the B-N bond length a BN = 0.1405 nm, the number of atoms per unit cell Z = 192, the density ρ = 2.823 g/cm 3 , the bulk modulus B 0 = 658 GPa, and the band gap ΔE g = 3.05 eV. This is a previously unknown unique light superhard semiconductor faujasite with a recorded bulk modulus higher than that of diamond. There are reasons to assume that it is a E phase. The characteristics of B 24 N 24 with simple cubic lattice are as follows: the equilibrium lattice parameter a = 0.7346 nm, the B-N bond length a BN = 0.1521 nm, the number of atoms per unit cell Z = 48, the density ρ = 2.495 g/cm 3 , the bulk modulus B 0 = 367 GPa, and the band gap ΔE g = 3.76 eV. This material is a heteropolar semiconductor or insulator with a bulk modulus comparable with that of cubic boron nitride, as well as a new boron-nitride zeolite with channel diameter of 0.46 nm. B 12 N 12 with simple cubic lattice is a molecular semimetal

Interpolation of natural cubic spline

Directory of Open Access Journals (Sweden)

Arun Kumar

1992-01-01

Full Text Available From the result in [1] it follows that there is a unique quadratic spline which bounds the same area as that of the function. The matching of the area for the cubic spline does not follow from the corresponding result proved in [2]. We obtain cubic splines which preserve the area of the function.

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...

Generalized Vaidya spacetime for cubic gravity

Science.gov (United States)

Ruan, Shan-Ming

2016-03-01

We present a kind of generalized Vaidya solution of a new cubic gravity in five dimensions whose field equations in spherically symmetric spacetime are always second order like the Lovelock gravity. We also study the thermodynamics of its spherically symmetric 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 analogous to those in Lovelock gravity, we in fact introduce the contribution of a new cubic term in five dimensions where the cubic Lovelock term is just zero.

New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis

DEFF Research Database (Denmark)

Kruger, Francois; Kontogeorgis, Georgios M.; von Solms, Nicolas

2018-01-01

Accurate thermodynamic predictions for systems containing glycols are essential for the design and commissioning of novel subsea natural gas dehydration units. Previously it has been shown that the Cubic-Plus-Association (CPA) equation of state can be used to model VLE, SLE and LLE for mixtures...

Spinning solitons in cubic-quintic nonlinear media

Indian Academy of Sciences (India)

Spinning solitons in cubic-quintic nonlinear media ... features of families of bright vortex solitons (doughnuts, or 'spinning' solitons) in both conservative and dissipative cubic-quintic nonlinear media. ... Pramana – Journal of Physics | News.

Negative pressure driven valence instability of Eu in cubic Eu{sub 0.4}La{sub 0.6}Pd{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Pandey, Abhishek [S N Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata-700098 (India); Mazumdar, Chandan; Ranganathan, R [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata-700064 (India)], E-mail: abhishek.phy@gmail.com, E-mail: chandan.mazumar@saha.ac.in

2009-05-27

We report the change in the valency of Eu-ions in the binary intermetallic cubic compound EuPd{sub 3} induced by La doping at rare-earth sites. Doping of La generates negative chemical pressure in the lattice, resulting in a significant increase of the lattice parameter without altering the simple-cubic structure of the compound. Results of dc-magnetic measurements suggest that this increase in the lattice parameter is associated with the valence transition of Eu-ions from Eu{sup 3+} to a mixed-valent state. As Eu{sup 2+}-ions possess a large magnetic moment, this valence transition significantly modifies the magnetic behavior of the compound. In contrast to introducing boron at the vacant body center site of the unit cell to change the valency of Eu-ions, as in the case of EuPd{sub 3}B, our results suggest it can also be altered by doping a rare-earth ion of larger size at the lattice site of Eu in EuPd{sub 3}.

Plasma simulation with the Differential Algebraic Cubic Interpolated Propagation scheme

Energy Technology Data Exchange (ETDEWEB)

Utsumi, Takayuki [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-03-01

A computer code based on the Differential Algebraic Cubic Interpolated Propagation scheme has been developed for the numerical solution of the Boltzmann equation for a one-dimensional plasma with immobile ions. The scheme advects the distribution function and its first derivatives in the phase space for one time step by using a numerical integration method for ordinary differential equations, and reconstructs the profile in phase space by using a cubic polynomial within a grid cell. The method gives stable and accurate results, and is efficient. It is successfully applied to a number of equations; the Vlasov equation, the Boltzmann equation with the Fokker-Planck or the Bhatnagar-Gross-Krook (BGK) collision term and the relativistic Vlasov equation. The method can be generalized in a straightforward way to treat cases such as problems with nonperiodic boundary conditions and higher dimensional problems. (author)

A Note on Cubic Convolution Interpolation

OpenAIRE

Meijering, E.; Unser, M.

2003-01-01

We establish a link between classical osculatory interpolation and modern convolution-based interpolation and use it to show that two well-known cubic convolution schemes are formally equivalent to two osculatory interpolation schemes proposed in the actuarial literature about a century ago. We also discuss computational differences and give examples of other cubic interpolation schemes not previously studied in signal and image processing.

Lithium-Ion Cell Charge Control Unit

Science.gov (United States)

Reid, Concha; Button, Robert; Manzo, Michelle; McKissock, Barbara; Miller, Thomas; Gemeiner, Russel; Bennett, William; Hand, Evan

2006-01-01

Life-test data of Lithium-Ion battery cells is critical in order to establish their performance capabilities for NASA missions and Exploration goals. Lithium-ion cells have the potential to replace rechargeable alkaline cells in aerospace applications, but they require a more complex charging scheme than is typically required for alkaline cells. To address these requirements in our Lithium-Ion Cell Test Verification Program, a Lithium-Ion Cell Charge Control Unit was developed by NASA Glenn Research Center (GRC). This unit gives researchers the ability to test cells together as a pack, while allowing each cell to charge individually. This allows the inherent cell-to-cell variations to be addressed on a series string of cells and results in a substantial reduction in test costs as compared to individual cell testing. The Naval Surface Warfare Center at Crane, Indiana developed a power reduction scheme that works in conjunction with the Lithium-Ion Cell Charge Control Unit. This scheme minimizes the power dissipation required by the circuitry to prolong circuit life and improve its reliability.

Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure and Transfection Efficiency

Energy Technology Data Exchange (ETDEWEB)

Koynova, Rumiana; Wang, Li; MacDonald, Robert C. (NWU)

2008-10-29

The transfection activity and the phase behavior of two novel cationic O-alkyl-phosphatidylcholines, 1,2-dioleoyl-sn-glycero-3-hexylphosphocholine (C6-DOPC) and 1,2-dierucoyl-sn-glycero-3-ethylphosphocholine (di22:1-EPC), have been examined with the aim of more completely understanding the mechanism of lipid-mediated DNA delivery. Both lipids form cubic phases: C6-DOPC in the entire temperature range from -10 to 90 C, while di22:1-EPC exhibits an irreversible lamellar-cubic transition between 50 and 70 C on heating. The lipoplexes formed by C6-DOPC arrange into hexagonal phase, while the lipoplexes of di22:1-EPC are lamellar. Both lipids exhibit lower transfection activity than the lamellar-forming 1,2-dioleoyl-sn-glycero-3-ethylphosphocholine (EDOPC). Thus, for the studied cationic phospholipid-DNA systems, the lipoplex phase state is a factor that does not seem to correlate with transfection activity. The parameter that exhibits better correlation with the transfection activity within the present data set is the phase state of the lipid dispersion prior to the addition of DNA. Thus, the lamellar lipid dispersion (EDOPC) produces more efficient lipoplexes than the dispersion with coexisting lamellar and cubic aggregates (diC22:1-EPC), which is even more efficient than the purely cubic dispersions (C6-DOPC; diC22:1-EPC after heating). It could be inferred from these data and from previous research that cubic phase lipid aggregates are unlikely to be beneficial to transfection. The lack of correlation between the phase state of lipoplexes and their transfection activity observed within the present data set does not mean that lipid phase state is generally unimportant for lipofection: a viewpoint now emerging from our previous studies is that the critical factor in lipid-mediated transfection is the structural evolution of lipoplexes within the cell, upon interacting and mixing with cellular lipids.

Cationic phospholipids forming cubic phases: lipoplex structure and transfection efficiency.

Science.gov (United States)

Koynova, Rumiana; Wang, Li; Macdonald, Robert C

2008-01-01

The transfection activity and the phase behavior of two novel cationic O-alkyl-phosphatidylcholines, 1,2-dioleoyl- sn-glycero-3-hexylphosphocholine (C6-DOPC) and 1,2-dierucoyl- sn-glycero-3-ethylphosphocholine (di22:1-EPC), have been examined with the aim of more completely understanding the mechanism of lipid-mediated DNA delivery. Both lipids form cubic phases: C6-DOPC in the entire temperature range from -10 to 90 degrees C, while di22:1-EPC exhibits an irreversible lamellar-cubic transition between 50 and 70 degrees C on heating. The lipoplexes formed by C6-DOPC arrange into hexagonal phase, while the lipoplexes of di22:1-EPC are lamellar. Both lipids exhibit lower transfection activity than the lamellar-forming 1,2-dioleoyl- sn-glycero-3-ethylphosphocholine (EDOPC). Thus, for the studied cationic phospholipid-DNA systems, the lipoplex phase state is a factor that does not seem to correlate with transfection activity. The parameter that exhibits better correlation with the transfection activity within the present data set is the phase state of the lipid dispersion prior to the addition of DNA. Thus, the lamellar lipid dispersion (EDOPC) produces more efficient lipoplexes than the dispersion with coexisting lamellar and cubic aggregates (diC22:1-EPC), which is even more efficient than the purely cubic dispersions (C6-DOPC; diC22:1-EPC after heating). It could be inferred from these data and from previous research that cubic phase lipid aggregates are unlikely to be beneficial to transfection. The lack of correlation between the phase state of lipoplexes and their transfection activity observed within the present data set does not mean that lipid phase state is generally unimportant for lipofection: a viewpoint now emerging from our previous studies is that the critical factor in lipid-mediated transfection is the structural evolution of lipoplexes within the cell, upon interacting and mixing with cellular lipids.

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....

PbCl2-tuned inorganic cubic CsPbBr3(Cl) perovskite solar cells with enhanced electron lifetime, diffusion length and photovoltaic performance

Science.gov (United States)

Li, Bo; Zhang, Yanan; Zhang, Luyuan; Yin, Longwei

2017-08-01

Inorganic CsPbBr3 perovskite is arousing great interest following after organic-inorganic hybrid halide perovskites, and is found as a good candidate for photovoltaic devices for its prominent photoelectric property and stability. Herein, we for the first time report on PbCl2-tuned inorganic Cl-doped CsPbBr3(Cl) perovskite solar cells with adjustable crystal structure and Cl doping for enhanced carrier lifetime, extraction rate and photovoltaic performance. The effect of PbCl2 on the morphologies, structures, optical, and photovoltaic performance of CsPbBr3 perovskite solar cells is investigated systemically. Compared with orthorhombic CsPbBr3, cubic CsPbBr3 demonstrates a significant improvement for electron lifetime (from 6.7 ns to 12.3 ns) and diffusion length (from 69 nm to 197 nm), as well as the enhanced electron extraction rate from CsPbBr3 to TiO2. More importantly, Cl doping benefits the further enhancement of carrier lifetime (14.3 ns) and diffusion length (208 nm). The Cl doped cubic CsPbBr3(Cl) perovskite solar cell exhibits a Jsc of 8.47 mA cm-2 and a PCE of 6.21%, superior to that of pure orthorhombic CsPbBr3 (6.22 mA cm-2 and 3.78%). The improvement of photovoltaic performance can be attributed to enhanced carrier lifetime, diffusion length and extraction rates, as well as suppressed nonradiative recombination.

Shape Preserving Interpolation Using C2 Rational Cubic Spline

Directory of Open Access Journals (Sweden)

Samsul Ariffin Abdul Karim

2016-01-01

Full Text Available This paper discusses the construction of new C2 rational cubic spline interpolant with cubic numerator and quadratic denominator. The idea has been extended to shape preserving interpolation for positive data using the constructed rational cubic spline interpolation. The rational cubic spline has three parameters αi, βi, and γi. The sufficient conditions for the positivity are derived on one parameter γi while the other two parameters αi and βi are free parameters that can be used to change the final shape of the resulting interpolating curves. This will enable the user to produce many varieties of the positive interpolating curves. Cubic spline interpolation with C2 continuity is not able to preserve the shape of the positive data. Notably our scheme is easy to use and does not require knots insertion and C2 continuity can be achieved by solving tridiagonal systems of linear equations for the unknown first derivatives di, i=1,…,n-1. Comparisons with existing schemes also have been done in detail. From all presented numerical results the new C2 rational cubic spline gives very smooth interpolating curves compared to some established rational cubic schemes. An error analysis when the function to be interpolated is ft∈C3t0,tn is also investigated in detail.

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...

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...

Lithium-Ion Cell Charge-Control Unit Developed

Science.gov (United States)

Reid, Concha M.; Manzo, Michelle A.; Buton, Robert M.; Gemeiner, Russel

2005-01-01

A lithium-ion (Li-ion) cell charge-control unit was developed as part of a Li-ion cell verification program. This unit manages the complex charging scheme that is required when Li-ion cells are charged in series. It enables researchers to test cells together as a pack, while allowing each cell to charge individually. This allows the inherent cell-to-cell variations to be addressed on a series string of cells and reduces test costs substantially in comparison to individual cell testing.

Formation of metastable cubic phase in Ce{sub 100−x}Al{sub x} (x=45, 50) alloys and their thermal and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Idzikowski, Bogdan, E-mail: idzi@ifmpan.poznan.pl [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Centre for Advanced Materials and Smart Structures, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław (Poland); Śniadecki, Zbigniew [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Centre for Advanced Materials and Smart Structures, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław (Poland); Puźniak, Roman [Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, 02-668 Warszawa (Poland); Kaczorowski, Dariusz [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław (Poland); Centre for Advanced Materials and Smart Structures, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław (Poland)

2017-01-01

Ce{sub 100−x}Al{sub x} (x=45 and 50) alloys were synthesized by rapid quenching technique in the form of ribbons composed of nanocrystalline phase of CeAl with the ClCs-type structure (Pm-3m space group) embedded in an amorphous matrix. The cubic CeAl phase is known as metastable with random distribution of Ce and Al atoms in the unit cell. The crystalline volume fraction is about 7.5% in Ce{sub 55}Al{sub 45} and 3% in Ce{sub 50}Al{sub 50}. The alloy Ce{sub 55}Al{sub 45} shows better thermal stability than Ce{sub 50}Al{sub 50}, indicated by higher effective activation energy and higher crystallization temperature. Small off-stoichiometry in Ce{sub 55}Al{sub 45} results in degrading the glass forming ability and promotes formation of the cubic CeAl phase, as confirmed by magnetic measurements. In both alloys, the Ce ions are in stable trivalent state and order magnetically near 20 K. Another magnetic phase transition close to 10 K was found for Ce{sub 50}Al{sub 50} and was attributed to the presence of the well-known stable orthorhombic CeAl phase. To the best of our knowledge, the magnetic behavior of the CeAl cubic phase is reported here for the first time. - Highlights: • Synthesis of metastable cubic CeAl phase by rapid quenching. • The Ce ions in Ce{sub 55}Al{sub 45} and Ce{sub 50}Al{sub 50} are in stable trivalent state. • Magnetic transition near 10 K connected with the orthorhombic CeAl phase. • Phase transition at about 20 K originates from the cubic CeAl phase.

Randomized Block Cubic Newton Method

KAUST Repository

Doikov, Nikita; Richtarik, Peter

2018-01-01

We study the problem of minimizing the sum of three convex functions: a differentiable, twice-differentiable and a non-smooth term in a high dimensional setting. To this effect we propose and analyze a randomized block cubic Newton (RBCN) method, which in each iteration builds a model of the objective function formed as the sum of the natural models of its three components: a linear model with a quadratic regularizer for the differentiable term, a quadratic model with a cubic regularizer for the twice differentiable term, and perfect (proximal) model for the nonsmooth term. Our method in each iteration minimizes the model over a random subset of blocks of the search variable. RBCN is the first algorithm with these properties, generalizing several existing methods, matching the best known bounds in all special cases. We establish ${\\cal O}(1/\\epsilon)$, ${\\cal O}(1/\\sqrt{\\epsilon})$ and ${\\cal O}(\\log (1/\\epsilon))$ rates under different assumptions on the component functions. Lastly, we show numerically that our method outperforms the state-of-the-art on a variety of machine learning problems, including cubically regularized least-squares, logistic regression with constraints, and Poisson regression.

Randomized Block Cubic Newton Method

KAUST Repository

Doikov, Nikita

2018-02-12

We study the problem of minimizing the sum of three convex functions: a differentiable, twice-differentiable and a non-smooth term in a high dimensional setting. To this effect we propose and analyze a randomized block cubic Newton (RBCN) method, which in each iteration builds a model of the objective function formed as the sum of the natural models of its three components: a linear model with a quadratic regularizer for the differentiable term, a quadratic model with a cubic regularizer for the twice differentiable term, and perfect (proximal) model for the nonsmooth term. Our method in each iteration minimizes the model over a random subset of blocks of the search variable. RBCN is the first algorithm with these properties, generalizing several existing methods, matching the best known bounds in all special cases. We establish ${\\\\cal O}(1/\\\\epsilon)$, ${\\\\cal O}(1/\\\\sqrt{\\\\epsilon})$ and ${\\\\cal O}(\\\\log (1/\\\\epsilon))$ rates under different assumptions on the component functions. Lastly, we show numerically that our method outperforms the state-of-the-art on a variety of machine learning problems, including cubically regularized least-squares, logistic regression with constraints, and Poisson regression.

Low-pH-induced transformation of bilayer membrane into bicontinuous cubic phase in dioleoylphosphatidylserine/monoolein membranes.

Science.gov (United States)

Okamoto, Yoshihide; Masum, Shah Md; Miyazawa, Haruna; Yamazaki, Masahito

2008-04-01

Cubic biomembranes, nonbilayer membranes with connections in three-dimensional space that have a cubic symmetry, have been observed in various cells. Interconversion between the bilayer liquid-crystalline (L(alpha)) phase and cubic phases attracted much attention in terms of both biological and physicochemical aspects. Herein we report the pH effect on the phase and structure of dioleoylphosphatidylserine (DOPS)/monoolein (MO) membranes under a physiological ion concentration condition, which was revealed by small-angle X-ray scattering (SAXS) measurement. At neutral pH, DOPS/MO membranes containing high concentrations of DOPS were in the L(alpha) phase. First, the pH effect on the phase and structure of the multilamellar vesicles (MLVs) of the DOPS/MO membranes preformed at neutral pH was investigated by adding various low-pH buffers into the MLV suspension. For 20%-DOPS/80%-MO MLVs, at and below pH 2.9, a transition from the L(alpha) to cubic (Q(224)) phase occurred within 1 h. This phase transition was reversible; a subsequent increase in pH to a neutral one in the membrane suspension transformed the cubic phase into the original L(alpha) phase. Second, we found that a decrease in pH transformed large unilamellar vesicles of DOPS/MO membranes into the cubic phase under similar conditions. We have proposed the mechanism of the low-pH-induced phase transition and also made a quantitative analysis on the critical pH of the phase transition. This finding is the first demonstration that a change in pH can induce a reversible phase transition between the L(alpha) and cubic phases of lipid membranes within 1 h.

Neutrosophic Cubic MCGDM Method Based on Similarity Measure

Directory of Open Access Journals (Sweden)

Surapati Pramanik

2017-06-01

Full Text Available The notion of neutrosophic cubic set is originated from the hybridization of the concept of neutrosophic set and interval valued neutrosophic set. We define similarity measure for neutrosophic cubic sets and prove some of its basic properties.

Multilayer gyroid cubic membrane organization in green alga Zygnema.

Science.gov (United States)

Zhan, Ting; Lv, Wenhua; Deng, Yuru

2017-09-01

Biological cubic membranes (CM), which are fluid membranes draped onto the 3D periodic parallel surface geometries with cubic symmetry, have been observed within subcellular organelles, including mitochondria, endoplasmic reticulum, and thylakoids. CM transition tends to occur under various stress conditions; however, multilayer CM organizations often appear associated with light stress conditions. This report is about the characterization of a projected gyroid CM in a transmission electron microscopy study of the chloroplast membranes within green alga Zygnema (LB923) whose lamellar form of thylakoid membrane started to fold into multilayer gyroid CM in the culture at the end of log phase of cell growth. Using the techniques of computer simulation of transmission electron microscopy (TEM) and a direct template matching method, we show that these CM are based on the gyroid parallel surfaces. The single, double, and multilayer gyroid CM morphologies are observed in which space is continuously divided into two, three, and more subvolumes by either one, two, or several parallel membranes. The gyroid CM are continuous with varying amount of pseudo-grana with lamellar-like morphology. The relative amount and order of these two membrane morphologies seem to vary with the age of cell culture and are insensitive to ambient light condition. In addition, thylakoid gyroid CM continuously interpenetrates the pyrenoid body through stalk, bundle-like, morphologies. Inside the pyrenoid body, the membranes re-folded into gyroid CM. The appearance of these CM rearrangements due to the consequence of Zygnema cell response to various types of environmental stresses will be discussed. These stresses include nutrient limitation, temperature fluctuation, and ultraviolet (UV) exposure.

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....

P-union and P-intersection of neutrosophic cubic sets

OpenAIRE

Florentin Smarandache; Chang Su Kim

2015-01-01

Conditions for the P-intersection and P-intersection of falsity-external (resp. indeterminacy-external and truth-external) neutrosophic cubic sets to be an falsity-external (resp. indeterminacy-external and truth- external) neutrosophic cubic set are provided. Conditions for the P-union and the P-intersection of two truth-external (resp. indeterminacy-external and falsity-external) neutrosophic cubic sets to be a truth-internal (resp. indeterminacy-internal and falsity-internal) neutrosoph...

Non-spherical micelles in an oil-in-water cubic phase

DEFF Research Database (Denmark)

Leaver, M.; Rajagopalan, V.; Ulf, O.

2000-01-01

phase, both with and without SDS, was established by NMR self-diffusion. In addition H-2 NMR relaxation experiments have demonstrated that the micelles in the cubic phase are non-spherical, having grown and changed shape upon formation of the cubic phase from the micellar solution. Small angle...... associated with the micellar cubic phase, Pm3n and Fd3m. The micellar volumes calculated for these space groups are similar and are consistent with a change in micellar geometry from spherical to prolate.......The cubic phase formed between the microemulsion and hexagonal phases of the ternary pentaethylene glycol dodecyl ether (C12E5)-decane-water system and that doped with small amounts of sodium dodecylsulfate (SDS) have been investigated. The presence of discrete oil-swollen micelles in the cubic...

Unit cell parameters of wurtzite InP nanowires determined by x-ray diffraction.

Science.gov (United States)

Kriegner, D; Wintersberger, E; Kawaguchi, K; Wallentin, J; Borgström, M T; Stangl, J

2011-10-21

High resolution x-ray diffraction is used to study the structural properties of the wurtzite polytype of InP nanowires. Wurtzite InP nanowires are grown by metal-organic vapor phase epitaxy using S-doping. From the evaluation of the Bragg peak position we determine the lattice parameters of the wurtzite InP nanowires. The unit cell dimensions are found to differ from the ones expected from geometric conversion of the cubic bulk InP lattice constant. The atomic distances along the c direction are increased whereas the atomic spacing in the a direction is reduced in comparison to the corresponding distances in the zinc-blende phase. Using core/shell nanowires with a thin core and thick nominally intrinsic shells we are able to determine the lattice parameters of wurtzite InP with a negligible influence of the S-doping due to the much larger volume in the shell. The determined material properties will enable the ab initio calculation of electronic and optical properties of wurtzite InP nanowires.

Bifurcation of limit cycles for cubic reversible systems

Directory of Open Access Journals (Sweden)

Yi Shao

2014-04-01

Full Text Available This article is concerned with the bifurcation of limit cycles of a class of cubic reversible system having a center at the origin. We prove that this system has at least four limit cycles produced by the period annulus around the center under cubic perturbations

Charge-Control Unit for Testing Lithium-Ion Cells

Science.gov (United States)

Reid, Concha M.; Mazo, Michelle A.; Button, Robert M.

2008-01-01

A charge-control unit was developed as part of a program to validate Li-ion cells packaged together in batteries for aerospace use. The lithium-ion cell charge-control unit will be useful to anyone who performs testing of battery cells for aerospace and non-aerospace uses and to anyone who manufacturers battery test equipment. This technology reduces the quantity of costly power supplies and independent channels that are needed for test programs in which multiple cells are tested. Battery test equipment manufacturers can integrate the technology into their battery test equipment as a method to manage charging of multiple cells in series. The unit manages a complex scheme that is required for charging Li-ion cells electrically connected in series. The unit makes it possible to evaluate cells together as a pack using a single primary test channel, while also making it possible to charge each cell individually. Hence, inherent cell-to-cell variations in a series string of cells can be addressed, and yet the cost of testing is reduced substantially below the cost of testing each cell as a separate entity. The unit consists of electronic circuits and thermal-management devices housed in a common package. It also includes isolated annunciators to signal when the cells are being actively bypassed. These annunciators can be used by external charge managers or can be connected in series to signal that all cells have reached maximum charge. The charge-control circuitry for each cell amounts to regulator circuitry and is powered by that cell, eliminating the need for an external power source or controller. A 110-VAC source of electricity is required to power the thermal-management portion of the unit. A small direct-current source can be used to supply power for an annunciator signal, if desired.

Direct Visualisation of the Structural Transformation between the Lyotropic Liquid Crystalline Lamellar and Bicontinuous Cubic Mesophase.

Science.gov (United States)

Tran, Nhiem; Zhai, Jiali; Conn, Charlotte E; Mulet, Xavier; Waddington, Lynne J; Drummond, Calum J

2018-05-29

The transition between the lyotropic liquid crystalline lamellar and the bicontinuous cubic mesophase drives multiple fundamental cellular processes involving changes in cell membrane topology including endocytosis and membrane budding. While several theoretical models have been proposed to explain this dynamic transformation, experimental validation of these models has been challenging due to the short lived nature of the intermediates present during the phase transition. Herein, we report the direct observation of a lamellar to bicontinuous cubic phase transition in nanoscale dispersions using a combination of cryogenic transmission electron microscopy and static small angle X-ray scattering. The results represent the first experimental confirmation of a theoretical model which proposed that the bicontinuous cubic phase originates from the centre of a lamellar vesicle, then propagates outward via the formation of inter-lamellar attachments and stalks. The observation was possible due to the precise control of the lipid composition to place the dispersion systems at the phase boundary of a lamellar and a cubic phase, allowing for the creation of long-lived structural intermediates. By surveying the nanoparticles using cryogenic transmission electron microscopy, a complete phase transition sequence was established.

Cubic interactions of Maxwell-like higher spins

Energy Technology Data Exchange (ETDEWEB)

Francia, Dario [Scuola Normale Superiore and INFN,Piazza dei Cavalieri, 7 I-56126 Pisa (Italy); Monaco, Gabriele Lo [Dipartimento di Fisica, Università di Pisa,Piazza Fibonacci, 3, I-56126, Pisa (Italy); Dipartimento di Fisica, Università di Milano-Bicocca,Piazza della Scienza 3, I-20126 Milano (Italy); Mkrtchyan, Karapet [Max Planck Institut für Gravitationsphysik,Am Mühlenberg 1, Potsdam 14476 (Germany)

2017-04-12

We study the cubic vertices for Maxwell-like higher-spins in flat and (A)dS background spaces of any dimension. Reducibility of their free spectra implies that a single cubic vertex involving any three fields subsumes a number of couplings among different particles of various spins. The resulting vertices do not involve traces of the fields and in this sense are simpler than their Fronsdal counterparts. We propose an extension of both the free theory and of its cubic deformation to a more general class of partially reducible systems, that one can obtain from the original theory upon imposing trace constraints of various orders. The key to our results is a version of the Noether procedure allowing to systematically account for the deformations of the transversality conditions to be imposed on the gauge parameters at the free level.

An Abel type cubic system

Directory of Open Access Journals (Sweden)

Gary R. Nicklason

2015-07-01

Full Text Available We consider center conditions for plane polynomial systems of Abel type consisting of a linear center perturbed by the sum of 2 homogeneous polynomials of degrees n and 2n-1 where $n \\ge 2$. Using properties of Abel equations we obtain two general systems valid for arbitrary values on n. For the cubic n=2 systems we find several sets of new center conditions, some of which show that the results in a paper by Hill, Lloyd and Pearson which were conjectured to be complete are in fact not complete. We also present a particular system which appears to be a counterexample to a conjecture by Zoladek et al. regarding rational reversibility in cubic polynomial systems.

Cubication of conservative nonlinear oscillators

International Nuclear Information System (INIS)

Belendez, Augusto; Alvarez, Mariela L; Fernandez, Elena; Pascual, Inmaculada

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 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.

Transdermal delivery of paeonol using cubic gel and microemulsion gel

Science.gov (United States)

Luo, Maofu; Shen, Qi; Chen, Jinjin

2011-01-01

Background The aim of this study was to develop new systems for transdermal delivery of paeonol, in particular microemulsion gel and cubic gel formulations. Methods Various microemulsion vehicles were prepared using isopropyl myristate as an oil phase, polyoxyethylated castor oil (Cremophor® EL) as a surfactant, and polyethylene glycol 400 as a cosurfactant. In the optimum microemulsion gel formulation, carbomer 940 was selected as the gel matrix, and consisted of 1% paeonol, 4% isopropyl myristate, 28% Cremophor EL/polyethylene glycol 400 (1:1), and 67% water. The cubic gel was prepared containing 3% paeonol, 30% water, and 67% glyceryl monooleate. Results A skin permeability test using excised rat skins indicated that both the cubic gel and microemulsion gel formulations had higher permeability than did the paeonol solution. An in vivo pharmacokinetic study done in rats showed that the relative bioavailability of the cubic gel and microemulsion gel was enhanced by about 1.51-fold and 1.28-fold, respectively, compared with orally administered paeonol suspension. Conclusion Both the cubic gel and microemulsion gel formulations are promising delivery systems to enhance the skin permeability of paeonol, in particular the cubic gel. PMID:21904450

Nonlinear dynamics of quadratically cubic systems

International Nuclear Information System (INIS)

Rudenko, O V

2013-01-01

We propose a modified form of the well-known nonlinear dynamic equations with quadratic relations used to model a cubic nonlinearity. We show that such quadratically cubic equations sometimes allow exact solutions and sometimes make the original problem easier to analyze qualitatively. Occasionally, exact solutions provide a useful tool for studying new phenomena. Examples considered include nonlinear ordinary differential equations and Hopf, Burgers, Korteweg–de Vries, and nonlinear Schrödinger partial differential equations. Some problems are solved exactly in the space–time and spectral representations. Unsolved problems potentially solvable by the proposed approach are listed. (methodological notes)

On Application of Non-cubic EoS to Compositional Reservoir Simulation

DEFF Research Database (Denmark)

Yan, Wei; Michelsen, Michael Locht; Stenby, Erling Halfdan

Compositional reservoir simulation uses almost exclusively cubic equations of state (EoS) such as the SRK EoS and the PR EoS. This is in contrast with process simulation in the downstream industry where more recent and advanced thermodynamic models are quickly adopted. Many of these models are non-cubic...... EoS, such as the PC-SAFT EoS. A major reason for the use of the conventional cubic EoS in reservoir simulation is the concern over computation time. Flash computation is the most time consuming part in compositional reservoir simulation, and the extra complexity of the non-cubic EoS may significantly...... increase the time consumption. In addition to this, the non-cubic EoS also needs a C7+ characterization. The main advantage of the non-cubic EoS is that it provides for a more accurate descrition of fluid properties, and it is therefore of interest to investigate the computational aspects of using...

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.

Plastic fluctuations in empty crystals formed by cubic wireframe particles

Science.gov (United States)

McBride, John M.; Avendaño, Carlos

2018-05-01

We present a computer simulation study of the phase behavior of colloidal hard cubic frames, i.e., particles with nonconvex cubic wireframe geometry interacting purely by excluded volume. Despite the propensity of cubic wireframe particles to form cubic phases akin to their convex counterparts, these particles exhibit unusual plastic fluctuations in which a random and dynamic fraction of particles rotate around their lattice positions in the crystal lattice while the remainder of the particles remains fully ordered. We argue that this unexpected effect stems from the nonconvex geometry of the particles in which the faces of a particle can be penetrated by the vertices of the nearest neighbors even at high number densities.

Eliminating cubic terms in the pseudopotential lattice Boltzmann model for multiphase flow

Science.gov (United States)

Huang, Rongzong; Wu, Huiying; Adams, Nikolaus A.

2018-05-01

It is well recognized that there exist additional cubic terms of velocity in the lattice Boltzmann (LB) model based on the standard lattice. In this work, elimination of these cubic terms in the pseudopotential LB model for multiphase flow is investigated, where the force term and density gradient are considered. By retaining high-order (≥3 ) Hermite terms in the equilibrium distribution function and the discrete force term, as well as introducing correction terms in the LB equation, the additional cubic terms of velocity are entirely eliminated. With this technique, the computational simplicity of the pseudopotential LB model is well maintained. Numerical tests, including stationary and moving flat and circular interface problems, are carried out to show the effects of such cubic terms on the simulation of multiphase flow. It is found that the elimination of additional cubic terms is beneficial to reduce the numerical error, especially when the velocity is relatively large. Numerical results also suggest that these cubic terms mainly take effect in the interfacial region and that the density-gradient-related cubic terms are more important than the other cubic terms for multiphase flow.

Kinks in systems with cubic and quartic anharmonicity

International Nuclear Information System (INIS)

Kashcheev, V.N.

1988-01-01

For a classical system of interacting particles with on-site cubic or quartic anharmonicity explicit analytic solutions of the d'Alembert equation are obtained in the form of kinks in the presence of dissipation (viscous or Rayleigh) and a constant force. These kinks will be asymptotically stable in the case of quartic anharmonicity and unstable in the case cubic anharmonicity

A study of accelerated radiation damage effects in PuO{sub 2} and gadolinia-stabilized cubic zirconia, Zr{sub 0.79}Gd{sub 0.14}Pu{sub 0.07}O{sub 1.93}, doped with {sup 238}Pu

Energy Technology Data Exchange (ETDEWEB)

Burakov, B.E., E-mail: burakov@peterlink.ru [V.G. Khlopin Radium Institute, 28, 2-nd Murinskiy Ave., St. Petersburg, 194021 (Russian Federation); Yagovkina, M.A. [A.F. Ioffe Physical-Technical Institute, 26, Politekhnicheskaya, St. Petersburg, 194021 (Russian Federation)

2015-12-15

Polycrystalline samples of cubic zirconia, Zr{sub 0.79}Gd{sub 0.14}Pu{sub 0.07}O{sub 1.93}, doped with approximately 9.9 wt.% {sup 238}Pu, and PuO{sub 2} containing 11.0 wt. % {sup 238}Pu (and main isotope is {sup 239}Pu) have been repeatedly studied during many years by X-ray diffraction analysis. At a temperature of 25 °C the unit-cell parameter of PuO{sub 2} increases depending on accumulated dose, and is accompanied by decrease of coherent scattering region (CSR). Self-irradiation of Zr{sub 0.79}Gd{sub 0.14}Pu{sub 0.07}O{sub 1.93} is accompanied with repeated change of unit-cell parameter and CSR.

Deformation of the cubic open string field theory

Energy Technology Data Exchange (ETDEWEB)

Lee, Taejin, E-mail: taejin@kangwon.ac.kr

2017-05-10

We study a consistent deformation of the cubic open bosonic string theory in such a way that the non-planar world sheet diagrams of the perturbative string theory are mapped onto their equivalent planar diagrams of the light-cone string field theory with some length parameters fixed. An explicit evaluation of the cubic string vertex in the zero-slope limit yields the correct relationship between the string coupling constant and the Yang–Mills coupling constant. The deformed cubic open string field theory is shown to produce the non-Abelian Yang–Mills action in the zero-slope limit if it is defined on multiple D-branes. Applying the consistent deformation systematically to multi-string world sheet diagrams, we may be able to calculate scattering amplitudes with an arbitrary number of external open strings.

Deformation of the cubic open string field theory

International Nuclear Information System (INIS)

Lee, Taejin

2017-01-01

We study a consistent deformation of the cubic open bosonic string theory in such a way that the non-planar world sheet diagrams of the perturbative string theory are mapped onto their equivalent planar diagrams of the light-cone string field theory with some length parameters fixed. An explicit evaluation of the cubic string vertex in the zero-slope limit yields the correct relationship between the string coupling constant and the Yang–Mills coupling constant. The deformed cubic open string field theory is shown to produce the non-Abelian Yang–Mills action in the zero-slope limit if it is defined on multiple D-branes. Applying the consistent deformation systematically to multi-string world sheet diagrams, we may be able to calculate scattering amplitudes with an arbitrary number of external open strings.

Deformation of the cubic open string field theory

Directory of Open Access Journals (Sweden)

Taejin Lee

2017-05-01

Full Text Available We study a consistent deformation of the cubic open bosonic string theory in such a way that the non-planar world sheet diagrams of the perturbative string theory are mapped onto their equivalent planar diagrams of the light-cone string field theory with some length parameters fixed. An explicit evaluation of the cubic string vertex in the zero-slope limit yields the correct relationship between the string coupling constant and the Yang–Mills coupling constant. The deformed cubic open string field theory is shown to produce the non-Abelian Yang–Mills action in the zero-slope limit if it is defined on multiple D-branes. Applying the consistent deformation systematically to multi-string world sheet diagrams, we may be able to calculate scattering amplitudes with an arbitrary number of external open strings.

Transformation of topologically close-packed β-W to body-centered cubic α-W: Comparison of experiments and computations.

Science.gov (United States)

Barmak, Katayun; Liu, Jiaxing; Harlan, Liam; Xiao, Penghao; Duncan, Juliana; Henkelman, Graeme

2017-10-21

The enthalpy and activation energy for the transformation of the metastable form of tungsten, β-W, which has the topologically close-packed A15 structure (space group Pm3¯n), to equilibrium α-W, which is body-centered cubic (A2, space group Im3¯m), was measured using differential scanning calorimetry. The β-W films were 1 μm-thick and were prepared by sputter deposition in argon with a small amount of nitrogen. The transformation enthalpy was measured as -8.3 ± 0.4 kJ/mol (-86 ± 4 meV/atom) and the transformation activation energy as 2.2 ± 0.1 eV. The measured enthalpy was found to agree well with the difference in energies of α and β tungsten computed using density functional theory, which gave a value of -82 meV/atom for the transformation enthalpy. A calculated concerted transformation mechanism with a barrier of 0.4 eV/atom, in which all the atoms in an A15 unit cell transform into A2, was found to be inconsistent with the experimentally measured activation energy for any critical nucleus larger than two A2 unit cells. Larger calculations of eight A15 unit cells spontaneously relax to a mechanism in which part of the supercell first transforms from A15 to A2, creating a phase boundary, before the remaining A15 transforms into the A2 phase. Both calculations indicate that a nucleation and growth mechanism is favored over a concerted transformation. More consistent with the experimental activation energy was that of a calculated local transformation mechanism at the A15-A2 phase boundary, computed as 1.7 eV using molecular dynamics simulations. This calculated phase transformation mechanism involves collective rearrangements of W atoms in the disordered interface separating the A15 and A2 phases.

Interaction of dispersed cubic phases with blood components

DEFF Research Database (Denmark)

Bode, J C; Kuntsche, Judith; Funari, S S

2013-01-01

The interaction of aqueous nanoparticle dispersions, e.g. based on monoolein/poloxamer 407, with blood components is an important topic concerning especially the parenteral way of administration. Therefore, the influence of human and porcine plasma on dispersed cubic phases was investigated. Part...... activity of cubic phases based on monoolein and poloxamer 188, on soy phosphatidylcholine, glycerol dioleate and polysorbate 80 or the parenteral fat emulsion Lipofundin MCT 20%....

Physical vapor deposition of cubic boron nitride thin films

International Nuclear Information System (INIS)

Kester, D.J.

1991-01-01

Cubic boron nitride was successfully deposited using physical vapor-deposition methods. RF-sputtering, magnetron sputtering, dual-ion-beam deposition, and ion-beam-assisted evaporation were all used. The ion-assisted evaporation, using boron evaporation and bombardment by nitrogen and argon ions, led to successful cubic boron nitride growth over the widest and most controllable range of conditions. It was found that two factors were important for c-BN growth: bombardment of the growing film and the presence of argon. A systematic study of the deposition conditions was carried out. It was found that the value of momentum transferred into the growing from by the bombarding ions was critical. There was a very narrow transition range in which mixed cubic and hexagonal phase films were prepared. Momentum-per-atom value took into account all the variables involved in ion-assisted deposition: deposition rate, ion energy, ion flux, and ion species. No other factor led to the same control of the process. The role of temperature was also studied; it was found that at low temperatures only mixed cubic and hexagonal material are deposited

Three-Dimensional Random Voronoi Tessellations: From Cubic Crystal Lattices to Poisson Point Processes

Science.gov (United States)

Lucarini, Valerio

2009-01-01

We perturb the simple cubic (SC), body-centered cubic (BCC), and face-centered cubic (FCC) structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter α and analyze the statistical properties of the cells of the resulting Voronoi tessellations using an ensemble approach. We concentrate on topological properties of the cells, such as the number of faces, and on metric properties of the cells, such as the area, volume and the isoperimetric quotient. The topological properties of the Voronoi tessellations of the SC and FCC crystals are unstable with respect to the introduction of noise, because the corresponding polyhedra are geometrically degenerate, whereas the tessellation of the BCC crystal is topologically stable even against noise of small but finite intensity. Whereas the average volume of the cells is the intensity parameter of the system and does not depend on the noise, the average area of the cells has a rather interesting behavior with respect to noise intensity. For weak noise, the mean area of the Voronoi tessellations corresponding to perturbed BCC and FCC perturbed increases quadratically with the noise intensity. In the case of perturbed SCC crystals, there is an optimal amount of noise that minimizes the mean area of the cells. Already for a moderate amount of noise ( α>0.5), the statistical properties of the three perturbed tessellations are indistinguishable, and for intense noise ( α>2), results converge to those of the Poisson-Voronoi tessellation. Notably, 2-parameter gamma distributions constitute an excellent model for the empirical pdf of all considered topological and metric properties. By analyzing jointly the statistical properties of the area and of the volume of the cells, we discover that also the cells shape, measured by the isoperimetric quotient, fluctuates. The Voronoi tessellations of the BCC and of the FCC structures result to be local maxima for the isoperimetric quotient among space

d and f electrons in a qp-quantized cubical field

International Nuclear Information System (INIS)

Kibler, M.; Sztucki, J.

1993-03-01

A procedure for qp-quantizing a crystal-field potential V with an arbitrary symmetry G is developed. Such a procedure is applied to the case where V involves cubic components (G=0) of the degrees 4 and 6. This case corresponds to d and f electrons in a qp-quantized cubical potential. It is shown that the qp-quantization of the considered cubical potential is equivalent to a symmetry breaking of type O→D 4 . A general conjecture about this symmetry breaking phenomenon is given. (author) 21 refs

Growth of cubic InN on r-plane sapphire

International Nuclear Information System (INIS)

Cimalla, V.; Pezoldt, J.; Ecke, G.; Kosiba, R.; Ambacher, O.; Spiess, L.; Teichert, G.; Lu, H.; Schaff, W.J.

2003-01-01

InN has been grown directly on r-plane sapphire substrates by plasma-enhanced molecular-beam epitaxy. X-ray diffraction investigations have shown that the InN layers consist of a predominant zinc blende (cubic) structure along with a fraction of the wurtzite (hexagonal) phase which content increases with proceeding growth. The lattice constant for zinc blende InN was found to be a=4.986 A. For this unusual growth of a metastable cubic phase on a noncubic substrate an epitaxial relationship was proposed where the metastable zinc blende phase grows directly on the r-plane sapphire while the wurtzite phase arises as the special case of twinning in the cubic structure

Unit cell geometry of 3-D braided structures

Science.gov (United States)

Du, Guang-Wu; Ko, Frank K.

1993-01-01

The traditional approach used in modeling of composites reinforced by three-dimensional (3-D) braids is to assume a simple unit cell geometry of a 3-D braided structure with known fiber volume fraction and orientation. In this article, we first examine 3-D braiding methods in the light of braid structures, followed by the development of geometric models for 3-D braids using a unit cell approach. The unit cell geometry of 3-D braids is identified and the relationship of structural parameters such as yarn orientation angle and fiber volume fraction with the key processing parameters established. The limiting geometry has been computed by establishing the point at which yarns jam against each other. Using this factor makes it possible to identify the complete range of allowable geometric arrangements for 3-D braided preforms. This identified unit cell geometry can be translated to mechanical models which relate the geometrical properties of fabric preforms to the mechanical responses of composite systems.

Minimal knotted polygons in cubic lattices

International Nuclear Information System (INIS)

Van Rensburg, E J Janse; Rechnitzer, A

2011-01-01

In this paper we examine numerically the properties of minimal length knotted lattice polygons in the simple cubic, face-centered cubic, and body-centered cubic lattices by sieving minimal length polygons from a data stream of a Monte Carlo algorithm, implemented as described in Aragão de Carvalho and Caracciolo (1983 Phys. Rev. B 27 1635), Aragão de Carvalho et al (1983 Nucl. Phys. B 215 209) and Berg and Foester (1981 Phys. Lett. B 106 323). The entropy, mean writhe, and mean curvature of minimal length polygons are computed (in some cases exactly). While the minimal length and mean curvature are found to be lattice dependent, the mean writhe is found to be only weakly dependent on the lattice type. Comparison of our results to numerical results for the writhe obtained elsewhere (see Janse van Rensburg et al 1999 Contributed to Ideal Knots (Series on Knots and Everything vol 19) ed Stasiak, Katritch and Kauffman (Singapore: World Scientific), Portillo et al 2011 J. Phys. A: Math. Theor. 44 275004) shows that the mean writhe is also insensitive to the length of a knotted polygon. Thus, while these results for the mean writhe and mean absolute writhe at minimal length are not universal, our results demonstrate that these values are quite close the those of long polygons regardless of the underlying lattice and length

Vapor-Liquid Equilibria of Systems Containing Acetic Acid and Gaseous Components. Measurements and Calculations by a Cubic Equiation of State

DEFF Research Database (Denmark)

Jonasson, Ari Jonas; Persson, Ole Hilding; Rasmussen, Peter

1998-01-01

Isothermal pressure-composition VLE data have been measured for four systems containing acetic acid and a gaseous component. The gaseous components are carbon monoxide, carbon dioxide, hydrogen and methane. The measurements were made in a static cell and the compositions of the gas and the liquid...... phases were measured by a gas chromatograph.A new model (ACE, Association + Cubic Equation of state) was developed. It is based on a cubic equation of state and a model for the dimerization of acetic acid. It was applied to correlate the experimental VLE data with good results....

Cubic Pencils and Painlev\\'e Hamiltonians

OpenAIRE

Kajiwara, Kenji; Masuda, Tetsu; Noumi, Masatoshi; Ohta, Yasuhiro; Yamada, Yasuhiko

2004-01-01

We present a simple heuristic method to derive the Painlev\\'e differential equations from the corresponding geometry of rational surafces. We also give a direct relationship between the cubic pencils and Seiberg-Witten curves.

Buckling behavior of origami unit cell facets under compressive loads

Science.gov (United States)

Kshad, Mohamed Ali Emhmed; Naguib, Hani E.

2018-03-01

Origami structures as cores for sandwich structures are designed to withstand the compressive loads and to dissipate compressive energy. The deformation of the origami panels and the unit cell facets are the primary factors behind the compressive energy dissipation in origami structures. During the loading stage, the origami structures deform through the folding and unfolding process of the unit cell facets, and also through the plastic deformation of the facets. This work presents a numerical study of the buckling behavior of different origami unit cell elements under compressive loading. The studied origami configurations were Miura and Ron-Resch-like origami structures. Finite element package was used to model the origami structures. The study investigated the buckling behavior of the unit cell facets of two types of origami structures Miura origami and Ron-Resch-Like origami structures. The simulation was conducted using ANSYS finite element software, in which the model of the unit cell represented by shell elements, and the eigenvalues buckling solver was used to predict the theoretical buckling of the unit cell elements.

Integrable peakon equations with cubic nonlinearity

International Nuclear Information System (INIS)

Hone, Andrew N W; Wang, J P

2008-01-01

We present a new integrable partial differential equation found by Vladimir Novikov. Like the Camassa-Holm and Degasperis-Procesi equations, this new equation admits peaked soliton (peakon) solutions, but it has nonlinear terms that are cubic, rather than quadratic. We give a matrix Lax pair for V Novikov's equation, and show how it is related by a reciprocal transformation to a negative flow in the Sawada-Kotera hierarchy. Infinitely many conserved quantities are found, as well as a bi-Hamiltonian structure. The latter is used to obtain the Hamiltonian form of the finite-dimensional system for the interaction of N peakons, and the two-body dynamics (N = 2) is explicitly integrated. Finally, all of this is compared with some analogous results for another cubic peakon equation derived by Zhijun Qiao. (fast track communication)

Calculations of and evidence for chain packing stress in inverse lyotropic bicontinuous cubic phases.

Science.gov (United States)

Shearman, Gemma C; Khoo, Bee J; Motherwell, Mary-Lynn; Brakke, Kenneth A; Ces, Oscar; Conn, Charlotte E; Seddon, John M; Templer, Richard H

2007-06-19

Inverse bicontinuous cubic lyotropic phases are a complex solution to the dilemma faced by all self-assembled water-amphiphile systems: how to satisfy the incompatible requirements for uniform interfacial curvature and uniform molecular packing. The solution reached in this case is for the water-amphiphile interfaces to deform hyperbolically onto triply periodic minimal surfaces. We have previously suggested that although the molecular packing in these structures is rather uniform the relative phase behavior of the gyroid, double diamond, and primitive inverse bicontinuous cubic phases can be understood in terms of subtle differences in packing frustration. In this work, we have calculated the packing frustration for these cubics under the constraint that their interfaces have constant mean curvature. We find that the relative packing stress does indeed differ between phases. The gyroid cubic has the least packing stress, and at low water volume fraction, the primitive cubic has the greatest packing stress. However, at very high water volume fraction, the double diamond cubic becomes the structure with the greatest packing stress. We have tested the model in two ways. For a system with a double diamond cubic phase in excess water, the addition of a hydrophobe may release packing frustration and preferentially stabilize the primitive cubic, since this has previously been shown to have lower curvature elastic energy. We have confirmed this prediction by adding the long chain alkane tricosane to 1-monoolein in excess water. The model also predicts that if one were able to hydrate the double diamond cubic to high water volume fractions, one should destabilize the phase with respect to the primitive cubic. We have found that such highly swollen metastable bicontinuous cubic phases can be formed within onion vesicles. Data from monoelaidin in excess water display a well-defined transition, with the primitive cubic appearing above a water volume fraction of 0.75. Both of

The Combinatorial Rigidity Conjecture is False for Cubic Polynomials

DEFF Research Database (Denmark)

Henriksen, Christian

2003-01-01

We show that there exist two cubic polynomials with connected Julia sets which are combinatorially equivalent but not topologically conjugate on their Julia sets. This disproves a conjecture by McMullen from 1995.......We show that there exist two cubic polynomials with connected Julia sets which are combinatorially equivalent but not topologically conjugate on their Julia sets. This disproves a conjecture by McMullen from 1995....

Generalized Born-Infeld actions and projective cubic curves

Energy Technology Data Exchange (ETDEWEB)

Ferrara, S. [Department of Physics, CERN Theory Division, CH - 1211 Geneva 23 (Switzerland); INFN - Laboratori Nazionali di Frascati, Via Enrico Fermi 40, I-00044, Frascati (Italy); Porrati, M. [CCPP, Department of Physics, NYU, 4 Washington Pl., New York, NY, 10003 (United States); Sagnotti, A. [Department of Physics, CERN Theory Division, CH - 1211 Geneva 23 (Switzerland); Stora, R. [Department of Physics, CERN Theory Division, CH - 1211 Geneva 23 (Switzerland); Laboratoire d' Annecy-le-Vieux de Physique Theorique (LAPTH), F-74941, Annecy-le-Vieux, Cedex (France); Yeranyan, A. [INFN - Laboratori Nazionali di Frascati, Via Enrico Fermi 40, I-00044, Frascati (Italy); Centro Studi e Ricerche Enrico Fermi, Via Panisperna 89A, 00184, Roma (Italy)

2015-04-01

We investigate U(1){sup n} supersymmetric Born-Infeld Lagrangians with a second non-linearly realized supersymmetry. The resulting non-linear structure is more complex than the square root present in the standard Born-Infeld action, and nonetheless the quadratic constraints determining these models can be solved exactly in all cases containing three vector multiplets. The corresponding models are classified by cubic holomorphic prepotentials. Their symmetry structures are associated to projective cubic varieties. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

ISAR Imaging of Ship Targets Based on an Integrated Cubic Phase Bilinear Autocorrelation Function

Directory of Open Access Journals (Sweden)

Jibin Zheng

2017-03-01

Full Text Available For inverse synthetic aperture radar (ISAR imaging of a ship target moving with ocean waves, the image constructed with the standard range-Doppler (RD technique is blurred and the range-instantaneous-Doppler (RID technique has to be used to improve the image quality. In this paper, azimuth echoes in a range cell of the ship target are modeled as noisy multicomponent cubic phase signals (CPSs after the motion compensation and a RID ISAR imaging algorithm is proposed based on the integrated cubic phase bilinear autocorrelation function (ICPBAF. The ICPBAF is bilinear and based on the two-dimensionally coherent energy accumulation. Compared to five other estimation algorithms, the ICPBAF can acquire higher cross term suppression and anti-noise performance with a reasonable computational cost. Through simulations and analyses with the synthetic model and real radar data, we verify the effectiveness of the ICPBAF and corresponding RID ISAR imaging algorithm.

Some elements go cubic under pressure

Czech Academy of Sciences Publication Activity Database

Legut, Dominik

2007-01-01

Roč. 60, č. 10 (2007), s. 17-17 ISSN 0031-9228 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio * polonium * cubic structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.133, year: 2007

Trace spaces in a pre-cubical complex

DEFF Research Database (Denmark)

Raussen, Martin

2009-01-01

In directed algebraic topology, directed irreversible (d)-paths and spaces consisting of d-paths are studied from a topological and from a categorical point of view. Motivated by models for concurrent computation, we study in this paper spaces of d-paths in a pre-cubical complex. Such paths...... are equipped with a natural arc length which moreover is shown to be invariant under directed homotopies. D-paths up to reparametrization (called traces) can thus be represented by arc length parametrized d-paths. Under weak additional conditions, it is shown that trace spaces in a pre-cubical complex...... are separable metric spaces which are locally contractible and locally compact. Moreover, they have the homotopy type of a CW-complex....

Fabrication and characteristics of unit cell for SOFC

Energy Technology Data Exchange (ETDEWEB)

Kim, Gwi-Yeol; Eom, Seung-Wook; Moon, Seong-In [Korea Electrotechnology Research Institute, Kyongnam (Korea, Republic of)] [and others

1996-12-31

Research and development on solid oxide fuel cells in Korea have been mainly focused on unit cell and small stack. Fuel cell system is called clean generation system which not cause NOx or SOx. It is generation efficiency come to 50-60% in contrast to 40% of combustion generation system. Among the fuel cell system, solid oxide fuel cell is constructed of ceramics, so stack construction is simple, power density is very high, and there are no corrosion problems. The object of this study is to develop various composing material for SOFC generation system, and to test unit cell performance manufactured. So we try to present a guidance for developing mass power generation system. We concentrated on development of manufacturing process for cathode, anode and electrolyte.

The planar cubic Cayley graphs

CERN Document Server

Georgakopoulos, Agelos

2018-01-01

The author obtains a complete description of the planar cubic Cayley graphs, providing an explicit presentation and embedding for each of them. This turns out to be a rich class, comprising several infinite families. He obtains counterexamples to conjectures of Mohar, Bonnington and Watkins. The author's analysis makes the involved graphs accessible to computation, corroborating a conjecture of Droms.

Effects of quadratic and cubic nonlinearities on a perfectly tuned parametric amplifier

DEFF Research Database (Denmark)

Neumeyer, Stefan; Sorokin, Vladislav; Thomsen, Jon Juel

2016-01-01

We consider the performance of a parametric amplifier with perfect tuning (two-to-one ratio between the parametric and direct excitation frequencies) and quadratic and cubic nonlinearities. A forced Duffing–Mathieu equation with appended quadratic nonlinearity is considered as the model system......, and approximate analytical steady-state solutions and corresponding stabilities are obtained by the method of varying amplitudes. Some general effects of pure quadratic, and mixed quadratic and cubic nonlinearities on parametric amplification are shown. In particular, the effects of mixed quadratic and cubic...... nonlinearities may generate additional amplitude–frequency solutions. In this case an increased response and a more phase sensitive amplitude (phase between excitation frequencies) is obtained, as compared to the case with either pure quadratic or cubic nonlinearity. Furthermore, jumps and bi...

[Multimodal medical image registration using cubic spline interpolation method].

Science.gov (United States)

He, Yuanlie; Tian, Lianfang; Chen, Ping; Wang, Lifei; Ye, Guangchun; Mao, Zongyuan

2007-12-01

Based on the characteristic of the PET-CT multimodal image series, a novel image registration and fusion method is proposed, in which the cubic spline interpolation method is applied to realize the interpolation of PET-CT image series, then registration is carried out by using mutual information algorithm and finally the improved principal component analysis method is used for the fusion of PET-CT multimodal images to enhance the visual effect of PET image, thus satisfied registration and fusion results are obtained. The cubic spline interpolation method is used for reconstruction to restore the missed information between image slices, which can compensate for the shortage of previous registration methods, improve the accuracy of the registration, and make the fused multimodal images more similar to the real image. Finally, the cubic spline interpolation method has been successfully applied in developing 3D-CRT (3D Conformal Radiation Therapy) system.

Regularizing cubic open Neveu-Schwarz string field theory

International Nuclear Information System (INIS)

Berkovits, Nathan; Siegel, Warren

2009-01-01

After introducing non-minimal variables, the midpoint insertion of Y Y-bar in cubic open Neveu-Schwarz string field theory can be replaced with an operator N ρ depending on a constant parameter ρ. As in cubic open superstring field theory using the pure spinor formalism, the operator N ρ is invertible and is equal to 1 up to a BRST-trivial quantity. So unlike the linearized equation of motion Y Y-bar QV = 0 which requires truncation of the Hilbert space in order to imply QV = 0, the linearized equation N ρ QV = 0 directly implies QV = 0.

Cubic phase nanoparticles for sustained release of ibuprofen: formulation, characterization, and enhanced bioavailability study

Science.gov (United States)

Dian, Linghui; Yang, Zhiwen; Li, Feng; Wang, Zhouhua; Pan, Xin; Peng, Xinsheng; Huang, Xintian; Guo, Zhefei; Quan, Guilan; Shi, Xuan; Chen, Bao; Li, Ge; Wu, Chuanbin

2013-01-01

In order to improve the oral bioavailability of ibuprofen, ibuprofen-loaded cubic nanoparticles were prepared as a delivery system for aqueous formulations. The cubic inner structure was verified by cryogenic transmission electron microscopy. With an encapsulation efficiency greater than 85%, the ibuprofen-loaded cubic nanoparticles had a narrow size distribution around a mean size of 238 nm. Differential scanning calorimetry and X-ray diffraction determined that ibuprofen was in an amorphous and molecular form within the lipid matrix. The in vitro release of ibuprofen from cubic nanoparticles was greater than 80% at 24 hours, showing sustained characteristics. The pharmacokinetic study in beagle dogs showed improved absorption of ibuprofen from cubic nanoparticles compared to that of pure ibuprofen, with evidence of a longer half-life and a relative oral bioavailability of 222% (P ibuprofen-loaded cubic nanoparticles provide a promising carrier candidate with an efficient drug delivery for therapeutic treatment. PMID:23468008

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.

Characterization, Microstructure, and Dielectric properties of cubic pyrochlore structural ceramics

KAUST Repository

Li, Yangyang

2013-05-01

The (BMN) bulk materials were sintered at 1050°C, 1100°C, 1150°C, 1200°C by the conventional ceramic process, and their microstructure and dielectric properties were investigated by Scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM) (including the X-ray energy dispersive spectrometry EDS and high resolution transmission electron microscopy HRTEM) and dielectric impedance analyzer. We systematically investigated the structure, dielectric properties and voltage tunable property of the ceramics prepared at different sintering temperatures. The XRD patterns demonstrated that the synthesized BMN solid solutions had cubic phase pyrochlore-type structure when sintered at 1050°C or higher, and the lattice parameter (a) of the unit cell in BMN solid solution was calculated to be about 10.56Å. The vibrational peaks observed in the Raman spectra of BMN solid solutions also confirmed the cubic phase pyrochlore-type structure of the synthesized BMN. According to the Scanning Electron Microscope (SEM) images, the grain size increased with increasing sintering temperature. Additionally, it was shown that the densities of the BMN ceramic tablets vary with sintering temperature. The calculated theoretical density for the BMN ceramic tablets sintered at different temperatures is about 6.7521 . The density of the respective measured tablets is usually amounting more than 91% and 5 approaching a maximum value of 96.5% for sintering temperature of 1150°C. The microstructure was investigated by using Scanning Transmission Electron Microscope (STEM), X-ray diffraction (XRD). Combined with the results obtained from the STEM and XRD, the impact of sintering temperature on the macroscopic and microscopic structure was discussed. The relative dielectric constant ( ) and dielectric loss ( ) of the BMN solid solutions were measured to be 161-200 and (at room temperature and 100Hz-1MHz), respectively. The BMN solid

Modeling the dispersion of atmospheric pollution using cubic splines and chapeau functions

Energy Technology Data Exchange (ETDEWEB)

Pepper, D W; Kern, C D; Long, P E

1979-01-01

Two methods that can be used to solve complex, three-dimensional, advection-diffusion transport equations are investigated. A quasi-Lagrangian cubic spline method and a chapeau function method are compared in advecting a passive scalar. The methods are simple to use, computationally fast, and reasonably accurate. Little numerical dissipation is manifested by the schemes. In simple advection tests with equal mesh spacing, the chapeau function method maintains slightly more accurate peak values than the cubic spline method. In tests with unequal mesh spacing, the cubic spline method has less noise, but slightly more damping than the standard chapeau method has. Both cubic splines and chapeau functions can be used to solve the three-dimensional problem of gaseous emissions dispersion without excessive programing complexity or storage requirements. (10 diagrams, 39 references, 2 tables)

Unified treatment of coupled optical and acoustic phonons in piezoelectric cubic materials

DEFF Research Database (Denmark)

Willatzen, Morten; Wang, Zhong Lin

2015-01-01

A unified treatment of coupled optical and acoustic phonons in piezoelectric cubic materials is presented whereby the lattice displacement vector and the internal ionic displacement vector are found simultaneously. It is shown that phonon couplings exist in pairs only; either between the electric...... piezoelectricity in a cubic structured material slab. First, it is shown that isolated optical phonon modes generally cannot exist in piezoelectric cubic slabs. Second, we prove that confined acousto-optical phonon modes only exist for a discrete set of in-plane wave numbers in piezoelectric cubic slabs. Third...... potential and the lattice displacement coordinate perpendicular to the phonon wave vector or between the two other lattice displacement components. The former leads to coupled acousto-optical phonons by virtue of the piezoelectric effect. We then establish three new conjectures that entirely stem from...

Polarization Change in Face-Centered Cubic Opal Films

Science.gov (United States)

Wolff, Christian; Romanov, Sergei; Küchenmeister, Jens; Peschel, Ulf; Busch, Kurt

2011-10-01

Artificial opals are a popular platform for investigating fundamental properties of Photonic Crystals (PhC). In this work, we provide a theoretical analysis of polarization-resolved transmission experiments through thin opal films. Despite the full cubic symmetry of the PhC, this system provides a very efficient mechanism for manipulating the polarization state of light. Based on band structure calculations and Bloch mode analysis, we find that this effect closely resembles classical birefringence. Due to the cubic symmetry, however, a description using tensorial quantities is not possible. This indicates fundamental limitations of effective material models for Photonic Crystals and demonstrates the importance of accurately modelling the microscopic geometry of such systems.

Jubilite: A 4-,8-connected Cubic Structural Pattern in Space Group Pm3

Directory of Open Access Journals (Sweden)

Eduardo A. Castro

2005-05-01

Full Text Available Abstract: In the course of investigating structural modifications of the 3-,4-connected net known as the Pt3O4 structure-type (waserite, a novel 4-,8-connected structure-type was discovered. This lattice is generated by replacing the 3-connected trigonal planar vertices of the Pt3O4 structure-type with 4-connected tetrahedral vertices, to achieve a structure which possesses a generic empirical formula of JK6L8. In such a topological modification, the four 3-fold axes of the parent cubic, Pm3n, Pt3O4 structure-type are retained. Thus the 4-connected tetrahedral vertices are oriented so as to preserve cubic symmetry in the resulting Pm3, JK6L8 (jubilite lattice. The unit cell contains a single 8-connected cubecentered vertex, six 4-connected distorted square planar vertices and eight 4-connected distorted tetrahedral vertices. It is a Wellsean structure with a Wells point symbol given by (4166484(42826(43838 and a Schläfli symbol of (53/4, 4.2667. This latter index reveals a decrease in the lattice’s polygonality and concomitant increase in the connectivity through the transformation from waserite to jubilite. The topology of the parent waserite lattice (Pt3O4 corresponds to that of the Catalan structures with the Wells point symbol (843(834, which has the Schläfli symbol (8, 3.4285. Finally, it can be seen that a sequence of structure-types starting with waserite (Pt3O4 and moving to jubilite (JK6L8 and finally to fluorite (CaF2 represents a continuous crystallographic structural transformation in which the symmetry and topology undergo concomitant changes from one structure-type (waserite to the other structure-types. The topology of the fluorite lattice, represented by the Wells point symbol (424(462, and the Schläfli symbol (4, 51/3, indicates a discontinuous topological transformation from the intermediate jubilite lattice; like the discontinuous topological transformation from Pt3O4 to JK6L8; in which the

Synthesis, Crystal Structure, and Magnetic Properties of Giant Unit Cell Intermetallics R117Co52+δSn112+γ (R = Y, La, Pr, Nd, Ho

Directory of Open Access Journals (Sweden)

Ping Chai

2016-12-01

Full Text Available Ternary intermetallics R117Co52+δSn112+γ (R = Y, La, Pr, Nd, and Ho have been prepared by arc-melting followed by annealing at 800 °C. All the compounds belong to the Tb117Fe52Ge112 structure type (space group Fm 3 ¯ m characterized by a complex giant cubic unit cell with a ~ 30 Å. The single-crystal structure determination of Y- and La-containing compounds reveals a significant structural disorder. A comparison of these and earlier reported crystal structures of R117Co52+δSn112+γ suggests that more extensive disorder occurs for structures that contain larger lanthanide atoms. This observation can be explained by the need to maintain optimal bonding interactions as the size of the unit cell increases. Y117Co56Sn115 exhibits weak paramagnetism due to the Co sublattice and does not show magnetic ordering in the 1.8–300 K range. Ho117Co55Sn108 shows ferromagnetic ordering at 10.6 K. Both Pr117Co54Sn112 and Nd117Co54Sn111 exhibit antiferromagnetic ordering at 17 K and 24.7 K, respectively, followed by a spin reorientation transition at lower temperature.

What will we do with 104,000,000 cubic feet of Fernald waste?

International Nuclear Information System (INIS)

Motl, G.P.; Krieger, G.J.

1995-01-01

The Fernald Site, a Department of Energy (DOE) uranium metal production facility that ceased production in 1989, is now being remediated by the DOE under terms of a Consent Agreement with the United States Environmental Protection Agency (USEPA) and a Consent Decree with the State of Ohio. It is estimated that the cleanup will generate 104,000,000 cubic feet of low-level radioactive waste including construction debris, pit sludge, radium residue and a huge volume of uranium contaminated soil. The waste handling strategy for this huge volume of waste includes minimizing remedial waste generation, recycling material when economically feasible, free-releasing clean material and volume reduction. It is anticipated that large scale radium residue vitrification and sludge drying equipment/facilities will be constructed onsite for waste treatment prior to off-site disposal. Fernald waste disposition will include both onsite disposal (if approved under CERCLA) and off-site disposal at both commercial and DOE waste disposal facilities. The waste disposition strategy selected reflects a diverse variety of technical, political, regulatory and economic factors. This presentation will describe the current views at Fernald on open-quotes what will we do with 104,000,000 cubic feet of Fernald waste.close quotes

Total Positivity of the Cubic Trigonometric Bézier Basis

Directory of Open Access Journals (Sweden)

Xuli Han

2014-01-01

Full Text Available Within the general framework of Quasi Extended Chebyshev space, we prove that the cubic trigonometric Bézier basis with two shape parameters λ and μ given in Han et al. (2009 forms an optimal normalized totally positive basis for λ,μ∈(-2,1]. Moreover, we show that for λ=-2 or μ=-2 the basis is not suited for curve design from the blossom point of view. In order to compute the corresponding cubic trigonometric Bézier curves stably and efficiently, we also develop a new corner cutting algorithm.

Comparison of gas membrane separation cascades using conventional separation cell and two-unit separation cells

International Nuclear Information System (INIS)

Ohno, Masayoshi; Morisue, Tetsuo; Ozaki, Osamu; Miyauchi, Terukatsu.

1978-01-01

The adoption of two-unit separation cells in radioactive rare gas membrane separation equipment enhances the separation factor, but increases the required membrane area and compressive power. An analytical economic evaluation was undertaken to compare the conventional separation cell with the two-unit separation cells, adopting as parameters the number of cascade stages, the membrane area and the operating power requirements. This paper describes the models used for evaluating the separation performance and the economics of cascade embodying these different concepts of separation cell taken up for study, and the results obtained for the individual concepts are mutually compared. It proved that, in respect of the number required of cascade stages, of operating power requirements and of the annual expenditure, better performance could always be expected of the two-unit separation cells as compared with the conventional separation cell, at least in the range of parameters adopted in this study. As regards the minimum membrane area, the conventional separation cell and the series-type separation cell yielded almost the same values, with the parallel-type separation cell falling somewhat behind. (auth.)

INVESTIGATION OF CURVES SET BY CUBIC DISTRIBUTION OF CURVATURE

Directory of Open Access Journals (Sweden)

S. A. Ustenko

2014-03-01

Full Text Available Purpose. Further development of the geometric modeling of curvelinear contours of different objects based on the specified cubic curvature distribution and setpoints of curvature in the boundary points. Methodology. We investigate the flat section of the curvilinear contour generating under condition that cubic curvature distribution is set. Curve begins and ends at the given points, where angles of tangent slope and curvature are also determined. It was obtained the curvature equation of this curve, depending on the section length and coefficient c of cubic curvature distribution. The analysis of obtained equation was carried out. As well as, it was investigated the conditions, in which the inflection points of the curve are appearing. One should find such an interval of parameter change (depending on the input data and the section length, in order to place the inflection point of the curvature graph outside the curve section borders. It was determined the dependence of tangent slope of angle to the curve at its arbitrary point, as well as it was given the recommendations to solve a system of integral equations that allow finding the length of the curve section and the coefficient c of curvature cubic distribution. Findings. As the result of curves research, it is found that the criterion for their selection one can consider the absence of inflection points of the curvature on the observed section. Influence analysis of the parameter c on the graph of tangent slope angle to the curve showed that regardless of its value, it is provided the same rate of angle increase of tangent slope to the curve. Originality. It is improved the approach to geometric modeling of curves based on cubic curvature distribution with its given values at the boundary points by eliminating the inflection points from the observed section of curvilinear contours. Practical value. Curves obtained using the proposed method can be used for geometric modeling of curvilinear

Mechanical behavior of regular open-cell porous biomaterials made of diamond lattice unit cells.

Science.gov (United States)

Ahmadi, S M; Campoli, G; Amin Yavari, S; Sajadi, B; Wauthle, R; Schrooten, J; Weinans, H; Zadpoor, A A

2014-06-01

Cellular structures with highly controlled micro-architectures are promising materials for orthopedic applications that require bone-substituting biomaterials or implants. The availability of additive manufacturing techniques has enabled manufacturing of biomaterials made of one or multiple types of unit cells. The diamond lattice unit cell is one of the relatively new types of unit cells that are used in manufacturing of regular porous biomaterials. As opposed to many other types of unit cells, there is currently no analytical solution that could be used for prediction of the mechanical properties of cellular structures made of the diamond lattice unit cells. In this paper, we present new analytical solutions and closed-form relationships for predicting the elastic modulus, Poisson׳s ratio, critical buckling load, and yield (plateau) stress of cellular structures made of the diamond lattice unit cell. The mechanical properties predicted using the analytical solutions are compared with those obtained using finite element models. A number of solid and porous titanium (Ti6Al4V) specimens were manufactured using selective laser melting. A series of experiments were then performed to determine the mechanical properties of the matrix material and cellular structures. The experimentally measured mechanical properties were compared with those obtained using analytical solutions and finite element (FE) models. It has been shown that, for small apparent density values, the mechanical properties obtained using analytical and numerical solutions are in agreement with each other and with experimental observations. The properties estimated using an analytical solution based on the Euler-Bernoulli theory markedly deviated from experimental results for large apparent density values. The mechanical properties estimated using FE models and another analytical solution based on the Timoshenko beam theory better matched the experimental observations. Copyright © 2014 Elsevier Ltd

A local cubic smoothing in an adaptation mode

International Nuclear Information System (INIS)

Dikoussar, N.D.

2001-01-01

A new approach to a local curve approximation and the smoothing is proposed. The relation between curve points is defined using a special cross-ratio weight functions. The coordinates of three curve points are used as parameters for both the weight functions and the tree-point cubic model (TPS). A very simple in computing and stable to random errors cubic smoother in an adaptation mode (LOCUS) is constructed. The free parameter of TPS is estimated independently of the fixed parameters by recursion with the effective error suppression and can be controlled by the cross-ratio parameters. Efficiency and the noise stability of the algorithm are confirmed by examples and by comparison with other known non-parametric smoothers

Enhanced lithium-ion storage performance by structural phase transition from two-dimensional rhombohedral Fe_2O_3 to cubic Fe_3O_4

International Nuclear Information System (INIS)

Ren, Yurong; Wang, Jiawei; Huang, Xiaobing; Ding, Jianning

2016-01-01

Highlights: • The rhombohedral Fe_2O_3 transforms to the cubic Fe_3O_4 via a calcination treatment. • Phase structure of anodes has great influences on their electrochemical performances. • Fe_3O_4/reduced graphene oxide shows a high capacity of 825.3 mAh g"−"1 at 50 mA g"−"1. - Abstract: The electrochemical performance of a material varies with its structural phase transition. It is found that the rhombohedral Fe_2O_3 can transform to the cubic Fe_3O_4 via a calcination treatment in a nitrogen atmosphere, and lithium-ion storage performances of Fe_3O_4 get an obvious improvement due to its structural advantages. On the basis of data calculated by X-ray diffraction, the larger unit cell volume as well as the higher void fraction of cubic Fe_3O_4 provides lithium-ions with more transport channels for Li ions diffusion and storage without serious volume change, and thus the cubic Fe_3O_4 delivers an excellent reversible capacity of 921.1 mAh g"−"1 after 15 cycles at the current density of 50 mA g"−"1, which is much higher than 328.3 mAh g"−"1 for the rhombohedral Fe_2O_3. To further enhance the structural stability of electrodes, reduced graphene oxide is introduced. The Fe_3O_4/reduced graphene oxide show an excellent specific capacity of 825.3 mAh g"−"1 after 40 cycles and impressive rate performance of 600 mAh g"−"1 at the current density of 400 mA g"−"1, which are much higher than that of Fe_3O_4 (417 and 300 mAh g"−"1), Fe_2O_3 (137.4 and 95 mAh g"−"1) and Fe_2O_3/reduced graphene oxide (390.1 and 480 mAh g"−"1). These results demonstrate that the structural phase transition and reduced graphene oxide of Fe_3O_4/reduced graphene oxide composites offer unique characteristics suitable for high-performance energy storage application.

Phase transformation of metastable cubic γ-phase in U-Mo alloys

International Nuclear Information System (INIS)

Sinha, V.P.; Hegde, P.V.; Prasad, G.J.; Dey, G.K.; Kamath, H.S.

2010-01-01

Over the past decade considerable efforts have been put by many fuel designers to develop low enriched uranium (LEU 235 ) base U-Mo alloy as a potential fuel for core conversion of existing research and test reactors which are running on high enriched uranium (HEU > 85%U 235 ) fuel and also for the upcoming new reactors. U-Mo alloy with minimum 8 wt% molybdenum shows excellent metastability with cubic γ-phase in cast condition. However, it is important to characterize the decomposition behaviour of metastable cubic γ-uranium in its equilibrium products for in reactor fuel performance point of view. The present paper describes the phase transformation behaviour of cubic γ-uranium phase in U-Mo alloys with three different molybdenum compositions (i.e. 8 wt%, 9 wt% and 10 wt%). U-Mo alloys were prepared in an induction melting furnace and characterized by X-ray diffraction (XRD) method for phase determination. Microstructures were developed for samples in as cast condition. The alloys were hot rolled in cubic γ-phase to break the cast structure and then they were aged at 500 o C for 68 h and 240 h, so that metastable cubic γ-uranium will undergo eutectoid decomposition to form equilibrium phases of orthorhombic α-uranium and body centered tetragonal U 2 Mo intermetallic compound. U-Mo alloy samples with different ageing history were then characterized by XRD for phase and development of microstructure.

Cubic Invariant Spherical Surface Harmonics in Conjunction With Diffraction Strain Pole-Figures

NARCIS (Netherlands)

Brakman, C.M.

1986-01-01

Four kinds of cubic invariant spherical surface harmonics are introduced. It has been shown previously that these harmonics occur in the equations relating measured diffraction (line-shift) elastic strain and macro-stresses generating these strains for the case of textured cubic materials. As a

Study of the cubic - to - monoclinic transformation in magnesia partially stabilized zirconia

International Nuclear Information System (INIS)

Muccillo, R.

1988-01-01

The transformation of the cubic phase to the stable monoclinic phase in ZrO 2 : 3%MgO quenched from 1450 0 C to RT has been studied by X-ray diffractometry in order to explain the thermal hysteresis in the electrical conductivity. The monoclinic-to-cubic ratio has been measured for samples annealed in the 500 0 C-1000 0 C temperature range. The results show that the decrease in the cubic phase content is the main responsible for the thermal hysteresis in the electrical conductivity of the magnesia partially stabilized zirconia solid electrolytes. (author) [pt

Magnetic ground states in nanocuboids of cubic magnetocrystalline anisotropy

Energy Technology Data Exchange (ETDEWEB)

Bonilla, F.J., E-mail: fbonilla@cicenergigune.com; Lacroix, L.-M.; Blon, T., E-mail: thomas.blon@insa-toulouse.fr

2017-04-15

Flower and easy-axis vortex states are well-known magnetic configurations that can be stabilized in small particles. However, <111> vortex (V<111>), i.e. a vortex state with its core axis along the hard-axis direction, has been recently evidenced as a stable configuration in Fe nanocubes of intermediate sizes in the flower/vortex transition. In this context, we present here extensive micromagnetic simulations to determine the different magnetic ground states in ferromagnetic nanocuboids exhibiting cubic magnetocrystalline anisotropy (MCA). Focusing our study in the single-domain/multidomain size range (10–50 nm), we showed that V<111> is only stable in nanocuboids exhibiting peculiar features, such as a specific size, shape and magnetic environment, contrarily to the classical flower and easy-axis vortex states. Thus, to track experimentally these V<111> states, one should focused on (i) nanocuboids exhibiting a nearly perfect cubic shape (size distorsion <12%) made of (ii) a material which combines a zero or positive MCA and a high saturation magnetization, such as Fe or FeCo; and (iii) a low magnetic field environment, V<111> being only observed in virgin or remanent states. - Highlights: • The <111> vortex is numerically determined in nanocubes of cubic anisotropy. • It constitutes an intermediate state in the single-domain limit. • Such a vortex can only be stabilized in perfect or slightly deformed nanocuboids. • It exists in nanocuboids made of materials with zero or positive cubic anisotropy. • The associated magnetization reversal is described by a rotation of the vortex axis.

Neutron diffraction study of cubic titanium carbohydride at the homogeneity lower limit

International Nuclear Information System (INIS)

Khidirov, I.; Mirzaev, B.B.; Mukhtarova, N.N.

2004-01-01

Cubic carbohydride TiC 0.47H0.22 was prepared by means of quenching from 1200 deg.C followed by the heat treatment using special regime for preventing the hydrogen yield out the lattice. It is shown that at the lower limit of homogeneity range of the cubic carbohydride, hydrogen atoms occupy the tetrahedral interstices 8(c) of the disordered cubic structure with space group of Fm3m. It is found that carbon and hydrogen atoms are partially ordered by annealing at 900-700 deg.C. The ordered structure is face-centred cubic lattice with the parameter a ≅2a 0 , where a 0 is the lattice parameter in disordered structure. The crystal structure of the disordered phase is described within the framework of space group Fd3m, where the carbon atoms occupy mainly (70%) octahedral interstices 16(c) and another ones of carbon and all hydrogen atoms occupy the octahedral interstices 16(d). (author)

Electric quadrupole interaction in cubic BCC α-Fe

International Nuclear Information System (INIS)

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

2016-01-01

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

Cubic and quartic planar differential systems with exact algebraic limit cycles

Directory of Open Access Journals (Sweden)

Ahmed Bendjeddou

2011-01-01

Full Text Available We construct cubic and quartic polynomial planar differential systems with exact limit cycles that are ovals of algebraic real curves of degree four. The result obtained for the cubic case generalizes a proposition of [9]. For the quartic case, we deduce for the first time a class of systems with four algebraic limit cycles and another for which nested configurations of limit cycles occur.

Conformal Interpolating Algorithm Based on Cubic NURBS in Aspheric Ultra-Precision Machining

International Nuclear Information System (INIS)

Li, C G; Zhang, Q R; Cao, C G; Zhao, S L

2006-01-01

Numeric control machining and on-line compensation for aspheric surface are key techniques in ultra-precision machining. In this paper, conformal cubic NURBS interpolating curve is applied to fit the character curve of aspheric surface. Its algorithm and process are also proposed and imitated by Matlab7.0 software. To evaluate the performance of the conformal cubic NURBS interpolation, we compare it with the linear interpolations. The result verifies this method can ensure smoothness of interpolating spline curve and preserve original shape characters. The surface quality interpolated by cubic NURBS is higher than by line. The algorithm is benefit to increasing the surface form precision of workpieces in ultra-precision machining

Dipaths and dihomotopies in a cubical complex

DEFF Research Database (Denmark)

Fajstrup, Lisbeth

2005-01-01

In the geometric realization of a cubical complex without degeneracies, a $\\Box$-set, dipaths and dihomotopies may not be combinatorial, i.e., not geometric realizations of combinatorial dipaths and equivalences. When we want to use geometric/topological tools to classify dipaths on the 1-skeleton...

Advanced fuel cell development in the United States

International Nuclear Information System (INIS)

Ackerman, J.P.

1984-01-01

Both molten carbonate and solid oxide fuel cells are being developed in the United States to complement and/or supplant phosphoric acid cells for commercial and utility use. This paper described the two technologies and the programs for their development

Pd@Au core-shell nanocrystals with concave cubic shapes: kinetically controlled synthesis and electrocatalytic properties.

Science.gov (United States)

Zhang, Ling; Niu, Wenxin; Zhao, Jianming; Zhu, Shuyun; Yuan, Yali; Hua, Lianzhe; Xu, Guobao

2013-01-01

A new type of concave cubic Pd@Au core-shell nanocrystals is synthesized through a kinetically controlled growth process. Pd nanocubes of 56 nm are used as the inner core, and CTAC and Br(-) are used as the capping agent and selective adsorbent, respectively. A suitable ratio of HAuCl4 and cubic Pd seeds and the presence of Br(-) anions are critical to the growth of the concave cubic Pd@Au core-shell nanocrystals. The fast deposition rate on the corners of the cubic Pd seeds promotes the overgrowth of the Au outer shell along the direction, leading to the formation of concave cubic nanostructures. The reduction process is monitored by the surface plasmon resonance spectra of the nanocrystals, and the extinction band became broader and red shifted as the nanocrystals became larger. The electrocatalytic properties of the concave cubic Pd@Au core-shell nanocrystals were investigated with the cathodic electrochemiluminescence reaction of luminol and H2O2. A possible electrocatalytic mechanism was proposed and analyzed.

3D confocal imaging in CUBIC-cleared mouse heart

Energy Technology Data Exchange (ETDEWEB)

Nehrhoff, I.; Bocancea, D.; Vaquero, J.; Vaquero, J.J.; Lorrio, M.T.; Ripoll, J.; Desco, M.; Gomez-Gaviro, M.V.

2016-07-01

Acquiring high resolution 3D images of the heart enables the ability to study heart diseases more in detail. Here, the CUBIC (clear, unobstructed brain imaging cocktails and computational analysis) clearing protocol was adapted for thick mouse heart sections to increase the penetration depth of the confocal microscope lasers into the tissue. The adapted CUBIC clearing of the heart lets the antibody penetrate deeper into the tissue by a factor of five. The here shown protocol enables deep 3D highresolution image acquisition in the heart. This allows a much more accurate assessment of the cellular and structural changes that underlie heart diseases. (Author)

Eisenstein Series Identities Involving the Borweins' Cubic Theta Functions

Directory of Open Access Journals (Sweden)

Ernest X. W. Xia

2012-01-01

Full Text Available Based on the theories of Ramanujan's elliptic functions and the (p, k-parametrization of theta functions due to Alaca et al. (2006, 2007, 2006 we derive certain Eisenstein series identities involving the Borweins' cubic theta functions with the help of the computer. Some of these identities were proved by Liu based on the fundamental theory of elliptic functions and some of them may be new. One side of each identity involves Eisenstein series, the other products of the Borweins' cubic theta functions. As applications, we evaluate some convolution sums. These evaluations are different from the formulas given by Alaca et al.

3D confocal imaging in CUBIC-cleared mouse heart

International Nuclear Information System (INIS)

Nehrhoff, I.; Bocancea, D.; Vaquero, J.; Vaquero, J.J.; Lorrio, M.T.; Ripoll, J.; Desco, M.; Gomez-Gaviro, M.V.

2016-01-01

Acquiring high resolution 3D images of the heart enables the ability to study heart diseases more in detail. Here, the CUBIC (clear, unobstructed brain imaging cocktails and computational analysis) clearing protocol was adapted for thick mouse heart sections to increase the penetration depth of the confocal microscope lasers into the tissue. The adapted CUBIC clearing of the heart lets the antibody penetrate deeper into the tissue by a factor of five. The here shown protocol enables deep 3D highresolution image acquisition in the heart. This allows a much more accurate assessment of the cellular and structural changes that underlie heart diseases. (Author)

Analysis of long-time operation of micro-cogeneration unit with fuel cell

Directory of Open Access Journals (Sweden)

Patsch Marek

2015-01-01

Full Text Available Micro-cogeneration is cogeneration with small performance, with maximal electric power up to 50 kWe. On the present, there are available small micro-cogeneration units with small electric performance, about 1 kWe, which are usable also in single family houses or flats. These micro-cogeneration units operate on principle of conventional combustion engine, Stirling engine, steam engine or fuel cell. Micro-cogeneration units with fuel cells are new progressive developing type of units for single family houses. Fuel cell is electrochemical device which by oxidation-reduction reaction turn directly chemical energy of fuel to electric power, secondary products are pure water and thermal energy. The aim of paper is measuring and evaluation of operation parameters of micro-cogeneration unit with fuel cell which uses natural gas as a fuel.

On the mechanical stability of the body-centered cubic phase and the emergence of a metastable cI16 phase in classical hard sphere solids

Science.gov (United States)

Warshavsky, Vadim B.; Ford, David M.; Monson, Peter A.

2018-01-01

The stability of the body-centered cubic (bcc) solid phase of classical hard spheres is of intrinsic interest and is also relevant to the development of perturbation theories for bcc solids of other model systems. Using canonical ensemble Monte Carlo, we simulated systems initialized in a perfect bcc lattice at various densities in the solid region. We observed that the systems rapidly evolved into one of four structures that then persisted for the duration of the simulation. Remarkably, one of these structures was identified as cI16, a cubic crystalline structure with 16 particles in the unit cell, which has recently been observed experimentally in lithium and sodium solids at high pressures. The other three structures do not exhibit crystalline order but are characterized by common patterns in the radial distribution function and bond-orientational order parameter distribution; we refer to them as bcc-di, with i ranging from 1 to 3. We found similar outcomes when employing any of the three single occupancy cell (SOC) restrictions commonly used in the literature. We also ran long constant-pressure simulations with box shape fluctuations initiated from bcc and cI16 initial configurations. At lower pressures, all the systems evolved to defective face-centered cubic (fcc) or hexagonal close-packed (hcp) structures. At higher pressures, most of the systems initiated as bcc evolved to cI16 with some evolving to defective fcc/hcp. High pressure systems initiated from cI16 remained in that structure. We computed the chemical potential of cI16 using the Einstein crystal reference method and found that it is higher than that of fcc by ˜0.5kT-2.5kT over the pressure range studied, with the difference increasing with pressure. We find that the undistorted bcc solid, even with constant-volume and SOC restrictions applied, is so mechanically unstable that it is unsuitable for consideration as a metastable phase or as a reference system for studying bcc phases of other systems

Numerical Simulation of Sloshing Phenomena in Cubic Tank with Multiple Baffles

Directory of Open Access Journals (Sweden)

Mi-An Xue

2012-01-01

Full Text Available A two-phase fluid flow model solving Navier-Stokes equations was employed in this paper to investigate liquid sloshing phenomena in cubic tank with horizontal baffle, perforated vertical baffle, and their combinatorial configurations under the harmonic motion excitation. Laboratory experiment of liquid sloshing in cubic tank with perforated vertical baffle was carried out to validate the present numerical model. Fairly good agreements were obtained from the comparisons between the present numerical results and the present experimental data, available numerical data. Liquid sloshing in cubic tank with multiple baffles was investigated numerically in detail under different external excitation frequencies. Power spectrum of the time series of free surface elevation was presented with the aid of fast Fourier transform technique. The dynamic impact pressures acting on the normal and parallel sidewalls were discussed in detail.

Cubic interaction in extended theories of massless higher-spin fields

Energy Technology Data Exchange (ETDEWEB)

Fradkin, E S; Vasiliev, M A

1987-08-17

A cubic interaction of all massless higher-spin fields with s greater than or equal to 1 is constructed, based on the extended higher-spin superalgebras suggested previously by one of us (M.V.). This interaction incorporates gravitational and Yang-Mills interactions of massless higher-spin fields, which turn out to be consistent in the cubic order. An essential novel feature of the gravitational higher-spin interaction is its non-analyticity in the cosmological constant. An explicit form is found for deformed higher-spin gauge transformations leaving the action invariant.

Cubic AlGaN/GaN structures for device application

Energy Technology Data Exchange (ETDEWEB)

Schoermann, Joerg

2007-05-15

The aim of this work was the growth and the characterization of cubic GaN, cubic AlGaN/GaN heterostructures and cubic AlN/GaN superlattice structures. Reduction of the surface and interface roughness was the key issue to show the potential for the use of cubic nitrides in futur devices. All structures were grown by plasma assisted molecular beam epitaxy on free standing 3C-SiC (001) substrates. In situ reflection high energy electron diffraction was first investigated to determine the Ga coverage of c-GaN during growth. Using the intensity of the electron beam as a probe, optimum growth conditions were found when a 1 monolayer coverage is formed at the surface. GaN samples grown under these conditions reveal excellent structural properties. On top of the c-GaN buffer c-AlGaN/GaN single and multiple quantum wells were deposited. The well widths ranged from 2.5 to 7.5 nm. During growth of Al{sub 0.15}Ga{sub 0.85}N/GaN quantum wells clear reflection high energy electron diffraction oscillations were observed indicating a two dimensional growth mode. We observed strong room-temperature, ultraviolet photoluminescence at about 3.3 eV with a minimum linewidth of 90 meV. The peak energy of the emission versus well width is reproduced by a square-well Poisson- Schroedinger model calculation. We found that piezoelectric effects are absent in c-III nitrides with a (001) growth direction. Intersubband transition in the wavelength range from 1.6 {mu}m to 2.1 {mu}m was systematically investigated in AlN/GaN superlattices (SL), grown on 100 nm thick c-GaN buffer layers. The SLs consisted of 20 periods of GaN wells with a thickness between 1.5 nm and 2.1 nm and AlN barriers with a thickness of 1.35 nm. The first intersubband transitions were observed in metastable cubic III nitride structures in the range between 1.6 {mu}m and 2.1 {mu}m. (orig.)

X-Ray Diffraction (XRD) Characterization Methods for Sigma=3 Twin Defects in Cubic Semiconductor (100) Wafers

Science.gov (United States)

Park, Yeonjoon (Inventor); Kim, Hyun Jung (Inventor); Skuza, Jonathan R. (Inventor); Lee, Kunik (Inventor); King, Glen C. (Inventor); Choi, Sang Hyouk (Inventor)

2017-01-01

An X-ray defraction (XRD) characterization method for sigma=3 twin defects in cubic semiconductor (100) wafers includes a concentration measurement method and a wafer mapping method for any cubic tetrahedral semiconductor wafers including GaAs (100) wafers and Si (100) wafers. The methods use the cubic semiconductor's (004) pole figure in order to detect sigma=3/{111} twin defects. The XRD methods are applicable to any (100) wafers of tetrahedral cubic semiconductors in the diamond structure (Si, Ge, C) and cubic zinc-blend structure (InP, InGaAs, CdTe, ZnSe, and so on) with various growth methods such as Liquid Encapsulated Czochralski (LEC) growth, Molecular Beam Epitaxy (MBE), Organometallic Vapor Phase Epitaxy (OMVPE), Czochralski growth and Metal Organic Chemical Vapor Deposition (MOCVD) growth.

Hydrogen Fuel Cell Performance as Telecommunications Backup Power in the United States

Energy Technology Data Exchange (ETDEWEB)

Kurtz, Jennifer [National Renewable Energy Lab. (NREL), Golden, CO (United States); Saur, Genevieve [National Renewable Energy Lab. (NREL), Golden, CO (United States); Sprik, Sam [National Renewable Energy Lab. (NREL), Golden, CO (United States)

2015-03-01

Working in collaboration with the U.S. Department of Energy (DOE) and industry project partners, the National Renewable Energy Laboratory (NREL) acts as the central data repository for the data collected from real-world operation of fuel cell backup power systems. With American Recovery and Reinvestment Act of 2009 (ARRA) co-funding awarded through DOE's Fuel Cell Technologies Office, more than 1,300 fuel cell units were deployed over a three-plus-year period in stationary, material handling equipment, auxiliary power, and backup power applications. This surpassed a Fuel Cell Technologies Office ARRA objective to spur commercialization of an early market technology by installing 1,000 fuel cell units across several different applications, including backup power. By December 2013, 852 backup power units out of 1,330 fuel cell units deployed were providing backup service, mainly for telecommunications towers. For 136 of the fuel cell backup units, project participants provided detailed operational data to the National Fuel Cell Technology Evaluation Center for analysis by NREL's technology validation team. NREL analyzed operational data collected from these government co-funded demonstration projects to characterize key fuel cell backup power performance metrics, including reliability and operation trends, and to highlight the business case for using fuel cells in these early market applications. NREL's analyses include these critical metrics, along with deployment, U.S. grid outage statistics, and infrastructure operation.

On the number of longest and almost longest cycles in cubic graphs

DEFF Research Database (Denmark)

Chia, Gek Ling; Thomassen, Carsten

2012-01-01

We consider the questions: How many longest cycles must a cubic graph have, and how many may it have? For each k >= 2 there are infinitely many p such that there is a cubic graph with p vertices and precisely one longest cycle of length p-k. On the other hand, if G is a graph with p vertices, all...

CubiCal - Fast radio interferometric calibration suite exploiting complex optimisation

Science.gov (United States)

Kenyon, J. S.; Smirnov, O. M.; Grobler, T. L.; Perkins, S. J.

2018-05-01

It has recently been shown that radio interferometric gain calibration can be expressed succinctly in the language of complex optimisation. In addition to providing an elegant framework for further development, it exposes properties of the calibration problem which can be exploited to accelerate traditional non-linear least squares solvers such as Gauss-Newton and Levenberg-Marquardt. We extend existing derivations to chains of Jones terms: products of several gains which model different aberrant effects. In doing so, we find that the useful properties found in the single term case still hold. We also develop several specialised solvers which deal with complex gains parameterised by real values. The newly developed solvers have been implemented in a Python package called CubiCal, which uses a combination of Cython, multiprocessing and shared memory to leverage the power of modern hardware. We apply CubiCal to both simulated and real data, and perform both direction-independent and direction-dependent self-calibration. Finally, we present the results of some rudimentary profiling to show that CubiCal is competitive with respect to existing calibration tools such as MeqTrees.

The fundamental unit of pain is the cell.

Science.gov (United States)

Reichling, David B; Green, Paul G; Levine, Jon D

2013-12-01

The molecular/genetic era has seen the discovery of a staggering number of molecules implicated in pain mechanisms [18,35,61,69,96,133,150,202,224]. This has stimulated pharmaceutical and biotechnology companies to invest billions of dollars to develop drugs that enhance or inhibit the function of many these molecules. Unfortunately this effort has provided a remarkably small return on this investment. Inevitably, transformative progress in this field will require a better understanding of the functional links among the ever-growing ranks of "pain molecules," as well as their links with an even larger number of molecules with which they interact. Importantly, all of these molecules exist side-by-side, within a functional unit, the cell, and its adjacent matrix of extracellular molecules. To paraphrase a recent editorial in Science magazine [223], although we live in the Golden age of Genetics, the fundamental unit of biology is still arguably the cell, and the cell is the critical structural and functional setting in which the function of pain-related molecules must be understood. This review summarizes our current understanding of the nociceptor as a cell-biological unit that responds to a variety of extracellular inputs with a complex and highly organized interaction of signaling molecules. We also discuss the insights that this approach is providing into peripheral mechanisms of chronic pain and sex dependence in pain.

The Exact Limit of Some Cubic Towers

DEFF Research Database (Denmark)

Anbar Meidl, Nurdagül; Beelen, Peter; Nguyen, Nhut

2017-01-01

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 go...

Higher-Order Approximation of Cubic-Quintic Duffing Model

DEFF Research Database (Denmark)

Ganji, S. S.; Barari, Amin; Babazadeh, H.

2011-01-01

We apply an Artificial Parameter Lindstedt-Poincaré Method (APL-PM) to find improved approximate solutions for strongly nonlinear Duffing oscillations with cubic-quintic nonlinear restoring force. This approach yields simple linear algebraic equations instead of nonlinear algebraic equations...

Importance of unit cells in accurate evaluation of the characteristics of graphene

Energy Technology Data Exchange (ETDEWEB)

Sabzyan, Hassan; Sadeghpour, Narges [Isfahan Univ. (Iran, Islamic Republic of). Dept. of Chemistry

2016-08-01

Effects of the size of the unit cell on energy, atomic charges, and phonon frequencies of graphene at the Γ point of the Brillouin zone are studied in the absence and presence of an electric field using density functional theory (DFT) methods (LDA and DFT-PBE functionals with Goedecker-Teter-Hutter (GTH) and Troullier-Martins (TM) norm-conserving pseudopotentials). Two types of unit cells containing n{sub c}=4-28 carbon atoms are considered. Results show that stability of graphene increases with increasing size of the unit cell. Energy, atomic charges, and phonon frequencies all converge above n{sub c}=24 for all functional-pseudopotentials used. Except for the LDA-GTH calculations, application of an electric field of 0.4 and 0.9 V/nm strengths does not change the trends with the size of the unit cell but instead slightly decreases the binding energy of graphene. Results of this study show that the choice of unit cell size and type is critical for calculation of reliable characteristics of graphene.

77 FR 26317 - Exemption of Material for Proposed Disposal Procedures for the Humboldt Bay Power Plant, Unit 3...

Science.gov (United States)

2012-05-03

... decontamination and dismantlement phase of HBPP Unit 3 decommissioning commenced. PG&E requested NRC authorization... waste consists of approximately 2,000,000 cubic feet (56,634 cubic meters) of hazardous waste, soil, and... waste material consists of hazardous waste, soil, and debris containing low-activity radioactive debris...

Mass-induced instability of SAdS black hole in Einstein-Ricci cubic gravity

Science.gov (United States)

Myung, Yun Soo

2018-05-01

We perform the stability analysis of Schwarzschild-AdS (SAdS) black hole in the Einstein-Ricci cubic gravity. It shows that the Ricci tensor perturbations exhibit unstable modes for small black holes. We call this the mass-induced instability of SAdS black hole because the instability of small black holes arises from the massiveness in the linearized Einstein-Ricci cubic gravity, but not a feature of higher-order derivative theory giving ghost states. Also, we point out that the correlated stability conjecture holds for the SAdS black hole by computing the Wald entropy of SAdS black hole in Einstein-Ricci cubic gravity.

Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

NARCIS (Netherlands)

DenHartog, HW

1996-01-01

In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

Nonlinear bias compensation of ZiYuan-3 satellite imagery with cubic splines

Science.gov (United States)

Cao, Jinshan; Fu, Jianhong; Yuan, Xiuxiao; Gong, Jianya

2017-11-01

Like many high-resolution satellites such as the ALOS, MOMS-2P, QuickBird, and ZiYuan1-02C satellites, the ZiYuan-3 satellite suffers from different levels of attitude oscillations. As a result of such oscillations, the rational polynomial coefficients (RPCs) obtained using a terrain-independent scenario often have nonlinear biases. In the sensor orientation of ZiYuan-3 imagery based on a rational function model (RFM), these nonlinear biases cannot be effectively compensated by an affine transformation. The sensor orientation accuracy is thereby worse than expected. In order to eliminate the influence of attitude oscillations on the RFM-based sensor orientation, a feasible nonlinear bias compensation approach for ZiYuan-3 imagery with cubic splines is proposed. In this approach, no actual ground control points (GCPs) are required to determine the cubic splines. First, the RPCs are calculated using a three-dimensional virtual control grid generated based on a physical sensor model. Second, one cubic spline is used to model the residual errors of the virtual control points in the row direction and another cubic spline is used to model the residual errors in the column direction. Then, the estimated cubic splines are used to compensate the nonlinear biases in the RPCs. Finally, the affine transformation parameters are used to compensate the residual biases in the RPCs. Three ZiYuan-3 images were tested. The experimental results showed that before the nonlinear bias compensation, the residual errors of the independent check points were nonlinearly biased. Even if the number of GCPs used to determine the affine transformation parameters was increased from 4 to 16, these nonlinear biases could not be effectively compensated. After the nonlinear bias compensation with the estimated cubic splines, the influence of the attitude oscillations could be eliminated. The RFM-based sensor orientation accuracies of the three ZiYuan-3 images reached 0.981 pixels, 0.890 pixels, and 1

Structural study on cubic-tetragonal transition of CH3NH3PbI3

International Nuclear Information System (INIS)

Kawamura, Yukihiko; Mashiyama, Hiroyuki; Hasebe, Katsuhiko

2002-01-01

The cubic-tetragonal phase transition of CH 3 NH 3 PbI 3 was investigated by single crystal X-ray diffractometry. The crystal structure was refined at five temperatures in the tetragonal phase. The PbI 6 octahedron rotates around the c-axis alternatively to construct the SrTiO 3 -type tetragonal structure. A methylammonium ion is partially ordered; 24 disordered states in the cubic phase are reduced to 8. With decreasing temperature, the rotation angle of the octahedron increases monotonically, which indicates it is an order parameter of the cubic-tetragonal transition. (author)

Particle linear theory on a self-gravitating perturbed cubic Bravais lattice

International Nuclear Information System (INIS)

Marcos, B.

2008-01-01

Discreteness effects are a source of uncontrolled systematic errors of N-body simulations, which are used to compute the evolution of a self-gravitating fluid. We have already developed the so-called ''particle linear theory''(PLT), which describes the evolution of the position of self-gravitating particles located on a perturbed simple cubic lattice. It is the discrete analogue of the well-known (Lagrangian) linear theory of a self-gravitating fluid. Comparing both theories permits us to quantify precisely discreteness effects in the linear regime. It is useful to develop the PLT also for other perturbed lattices because they represent different discretizations of the same continuous system. In this paper we detail how to implement the PLT for perturbed cubic Bravais lattices (simple, body, and face-centered) in a cubic simulation box. As an application, we will study the discreteness effects--in the linear regime--of N-body simulations for which initial conditions have been set up using these different lattices.

Testing a generalized cubic Galileon gravity model with the Coma Cluster

Energy Technology Data Exchange (ETDEWEB)

Terukina, Ayumu; Yamamoto, Kazuhiro; Okabe, Nobuhiro [Department of Physical Sciences, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526 (Japan); Matsushita, Kyoko; Sasaki, Toru, E-mail: telkina@theo.phys.sci.hiroshima-u.ac.jp, E-mail: kazuhiro@hiroshima-u.ac.jp, E-mail: okabe@hiroshima-u.ac.jp, E-mail: matusita@rs.kagu.tus.ac.jp, E-mail: j1213703@ed.tus.ac.jp [Department of Physics, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan)

2015-10-01

We obtain a constraint on the parameters of a generalized cubic Galileon gravity model exhibiting the Vainshtein mechanism by using multi-wavelength observations of the Coma Cluster. The generalized cubic Galileon model is characterized by three parameters of the turning scale associated with the Vainshtein mechanism, and the amplitude of modifying a gravitational potential and a lensing potential. X-ray and Sunyaev-Zel'dovich (SZ) observations of the intra-cluster medium are sensitive to the gravitational potential, while the weak-lensing (WL) measurement is specified by the lensing potential. A joint fit of a complementary multi-wavelength dataset of X-ray, SZ and WL measurements enables us to simultaneously constrain these three parameters of the generalized cubic Galileon model for the first time. We also find a degeneracy between the cluster mass parameters and the gravitational modification parameters, which is influential in the limit of the weak screening of the fifth force.

Hardness and thermal stability of cubic silicon nitride

DEFF Research Database (Denmark)

Jiang, Jianzhong; Kragh, Flemming; Frost, D. J.

2001-01-01

The hardness and thermal stability of cubic spinel silicon nitride (c-Si3N4), synthesized under high-pressure and high-temperature conditions, have been studied by microindentation measurements, and x-ray powder diffraction and scanning electron microscopy, respectively The phase at ambient...

Electric quadrupole interaction in cubic BCC α-Fe

Energy Technology Data Exchange (ETDEWEB)

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

2016-07-15

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

Exact optical solitons in (n + 1)-dimensions with anti-cubic nonlinearity

Science.gov (United States)

Younis, Muhammad; Shahid, Iram; Anbreen, Sumaira; Rizvi, Syed Tahir Raza

2018-02-01

The paper studies the propagation of optical solitons in (n + 1)-dimensions under anti-cubic law of nonlinearity. The bright, dark and singular optical solitons are extracted using the extended trial equation method. The constraint conditions, for the existence of these solitons, are also listed. Additionally, a couple of other solutions known as singular periodic and Jacobi elliptic solutions, fall out as a by-product of this scheme. The obtained results are new and reported first time in (n + 1)-dimensions with anti-cubic law of nonlinearity.

Experimental and computational study on the phase stability of Al-containing cubic transition metal nitrides

International Nuclear Information System (INIS)

Rovere, Florian; Mayrhofer, Paul H; Music, Denis; Ershov, Sergey; Baben, Moritz to; Schneider, Jochen M; Fuss, Hans-Gerd

2010-01-01

The phase stability of Al-containing cubic transition metal (TM) nitrides, where Al substitutes for TM (i.e. TM 1-x Al x N), is studied as a function of the TM valence electron concentration (VEC). X-ray diffraction and thermal analyses data of magnetron sputtered Ti 1-x Al x N, V 1-x Al x N and Cr 1-x Al x N films indicate increasing phase stability of cubic TM 1-x Al x N at larger Al contents and higher temperatures with increasing TM VEC. These experimental findings can be understood based on first principle investigations of ternary cubic TM 1-x Al x N with TM = Sc, Ti, V, Cr, Y, Zr and Nb where the TM VEC and the lattice strain are systematically varied. However, our experimental data indicate that, in addition to the decomposition energetics (cubic TM 1-x Al x N → cubic TMN + hexagonal AlN), future stability models have to include nitrogen release as one of the mechanisms that critically determine the overall phase stability of TM 1-x Al x N.

Low-temperature protonic ceramic membrane fuel cells (PCMFCs) with SrCo{sub 0.9}Sb{sub 0.1}O{sub 3-{delta}} cubic perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Lin, Bin; Wang, Songlin; Fang, Daru; Dong, Yingchao; Peng, Ranran; Liu, Xingqiu; Meng, Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (China); Jiang, Yinzhu; Tao, Shanwen [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

2008-12-01

The SrCo{sub 0.9}Sb{sub 0.1}O{sub 3-{delta}} (SCS) composite oxide with cubic perovskite structure was synthesized by a modified Pechini method and examined as a novel cathode for protonic ceramic membrane fuel cells (PCMFCs). At 700 C and under open-circuit condition, symmetrical SCS cathode on BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7) electrolyte showed low polarization resistances (R{sub p}) of 0.22 {omega}cm{sup 2} in air. A laboratory-sized tri-layer cell of NiO-BZCY7/BZCY7/SCS was operated from 500 to 700 C with humidified hydrogen ({proportional_to}3% H{sub 2}O) as fuel and the static air as oxidant. A high open-circuit potential of 1.004 V, a maximum power density of 259 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.14 {omega}cm{sup 2} was achieved at 700 C. (author)

Frequency distribution of the reduced unit cells of centred lattices from the Protein Data Bank.

Science.gov (United States)

Swaminathan, Kunchithapadam

2012-03-01

In crystallography, a centred conventional lattice unit cell has its corresponding reduced primitive unit cell. This study presents the frequency distribution of the reduced unit cells of all centred lattice entries of the Protein Data Bank (as of 23 August 2011) in four unit-cell-dimension-based groups and seven interaxial-angle-based subgroups. This frequency distribution is an added layer of support during space-group assignment in new crystals. In addition, some interesting patterns of distribution are discussed as well as how some reduced unit cells could be wrongly accepted as primitive lattices in a different crystal system.

Energy gap formation mechanism through the interference phenomena of electrons in face-centered cubic elements and compounds with the emphasis on half-Heusler and Heusler compounds

Science.gov (United States)

Mizutani, U.; Sato, H.

2018-05-01

Many face-centred cubic elements and compounds with the number of atoms per unit cell N equal to 8, 12 and 16 are known to be stabilised by forming either a band gap or a pseudogap at the Fermi level. They are conveniently expressed as cF8, cF12 and cF16, respectively, in the Pearson symbol. From the cF8 family, we worked on three tetravalent elements C (diamond), Si and Ge, SZn-type AsGa compound and NaCl-type compounds like BiLu, AsSc, etc. From the cF12 family, more than 80 compounds were selected, with a particular emphasis on ABC- and half-Heusler-type ternary equiatomic compounds. Among cF16 compounds, both the Heusler compounds ABC2 and Zintl compounds were studied. We revealed that, regardless of whether or not the transition metal (TM) and/or rare-earth (RE) elements are involved as constituent elements, the energy gap formation mechanism for cF8, cF12 and cF16 compounds can be universally discussed in terms of interference phenomenon of itinerant electrons with set of reciprocal lattice planes with ? = 8, 11 and 12, where ? refers to square of the critical reciprocal of lattice vector of an fcc lattice. The number of itinerant electrons per unit cell, e/uc, for all these band gap/pseudogap-bearing compounds is found to fall on a universal line called "3/2-power law" when plotted against ? on a logarithmic scale. This proves the validity of the fulfilment of the interference condition ? in conformity with other pseudogap compounds with different crystal symmetries and different sizes of the unit cell reported in literature.

Dry Powder Precursors of Cubic Liquid Crystalline Nanoparticles (cubosomes)

International Nuclear Information System (INIS)

Spicer, Patrick T.; Small, William B.; Small, William B.; Lynch, Matthew L.; Burns, Janet L.

2002-01-01

Cubosomes are dispersed nanostructured particles of cubic phase liquid crystal that have stimulated significant research interest because of their potential for application in controlled-release and drug delivery. Despite the interest, cubosomes can be difficult to fabricate and stabilize with current methods. Most of the current work is limited to liquid phase processes involving high shear dispersion of bulk cubic liquid crystalline material into sub-micron particles, limiting application flexibility. In this work, two types of dry powder cubosome precursors are produced by spray-drying: (1) starch-encapsulated monoolein is produced by spray-drying a dispersion of cubic liquid crystalline particles in an aqueous starch solution and (2) dextran-encapsulated monoolein is produced by spray-drying an emulsion formed by the ethanol-dextran-monoolein-water system. The encapsulants are used to decrease powder cohesion during drying and to act as a soluble colloidal stabilizer upon hydration of the powders. Both powders are shown to form (on average) 0.6 μm colloidally-stable cubosomes upon addition to water. However, the starch powders have a broader particle size distribution than the dextran powders because of the relative ease of spraying emulsions versus dispersions. The developed processes enable the production of nanostructured cubosomes by end-users rather than just specialized researchers and allow tailoring of the surface state of the cubosomes for broader application

Curvature and bottlenecks control molecular transport in inverse bicontinuous cubic phases

Science.gov (United States)

Assenza, Salvatore; Mezzenga, Raffaele

2018-02-01

We perform a simulation study of the diffusion of small solutes in the confined domains imposed by inverse bicontinuous cubic phases for the primitive, diamond, and gyroid symmetries common to many lipid/water mesophase systems employed in experiments. For large diffusing domains, the long-time diffusion coefficient shows universal features when the size of the confining domain is renormalized by the Gaussian curvature of the triply periodic minimal surface. When bottlenecks are widely present, they become the most relevant factor for transport, regardless of the connectivity of the cubic phase.

Specific heat of the simple-cubic Ising model

NARCIS (Netherlands)

Feng, X.; Blöte, H.W.J.

2010-01-01

We provide an expression quantitatively describing the specific heat of the Ising model on the simple-cubic lattice in the critical region. This expression is based on finite-size scaling of numerical results obtained by means of a Monte Carlo method. It agrees satisfactorily with series expansions

Cathodoluminescence of cubic boron nitride

International Nuclear Information System (INIS)

Tkachev, V.D.; Shipilo, V.B.; Zajtsev, A.M.

1985-01-01

Three optically active defects are detected in mono- and polycrystal cubic boron nitride (β-BN). Analysis of intensity of temperature dependences, halfwidth and energy shift of 1.76 eV narrow phononless line (center GC-1) makes it possible to interprete the observed cathodoluminescence spectra an optical analog of the Moessbaner effect. Comparison of the obtained results with the known data for diamond monocrystals makes it possible to suggest that the detected center GC-1 is a nitrogen vacancy . The conclusion, concerning the Moessbauer optical spectra application, is made to analyze structural perfection of β-BN crystal lattice

A Finer Classification of the Unit Sum Number of the Ring of Integers ...

Indian Academy of Sciences (India)

Here we introduce a finer classification for the unit sum number of a ring and in this new classification we completely determine the unit sum number of the ring of integers of a quadratic field. Further we obtain some results on cubic complex fields which one can decide whether the unit sum number is or ∞. Then we ...

Rhombicuboctahedron unit cell based scaffolds for bone regeneration: geometry optimization with a mechanobiology - driven algorithm.

Science.gov (United States)

Boccaccio, Antonio; Fiorentino, Michele; Uva, Antonio E; Laghetti, Luca N; Monno, Giuseppe

2018-02-01

In a context more and more oriented towards customized medical solutions, we propose a mechanobiology-driven algorithm to determine the optimal geometry of scaffolds for bone regeneration that is the most suited to specific boundary and loading conditions. In spite of the huge number of articles investigating different unit cells for porous biomaterials, no studies are reported in the literature that optimize the geometric parameters of such unit cells based on mechanobiological criteria. Parametric finite element models of scaffolds with rhombicuboctahedron unit cell were developed and incorporated into an optimization algorithm that combines them with a computational mechanobiological model. The algorithm perturbs iteratively the geometry of the unit cell until the best scaffold geometry is identified, i.e. the geometry that allows to maximize the formation of bone. Performances of scaffolds with rhombicuboctahedron unit cell were compared with those of other scaffolds with hexahedron unit cells. We found that scaffolds with rhombicuboctahedron unit cell are particularly suited for supporting medium-low loads, while, for higher loads, scaffolds with hexahedron unit cells are preferable. The proposed algorithm can guide the orthopaedic/surgeon in the choice of the best scaffold to be implanted in a patient-specific anatomic region. Copyright © 2017 Elsevier B.V. All rights reserved.

Phonons in face-centred cubic calcium and strontium

International Nuclear Information System (INIS)

Singh, S.P.; Rathore, R.P.S.

1984-01-01

The axially symmetric and unpaired forces are employed to analyse the phonon dispersion and elastic behaviour of face centred cubic calcium and strontium which have so far not been studied adequately. The model with three parameters predicts the results which agree marvellously with the recently measured data. (author)

C2-rational cubic spline involving tension parameters

Indian Academy of Sciences (India)

preferred which preserves some of the characteristics of the function to be interpolated. In order to tackle such ... Shape preserving properties of the rational (cubic/quadratic) spline interpolant have been studied ... tension parameters which is used to interpolate the given monotonic data is described in. [6]. Shape preserving ...

Cubic Gallium Nitride on Micropatterned Si (001) for Longer Wavelength LEDs

Energy Technology Data Exchange (ETDEWEB)

Durniak, Mark T. [Rensselaer Polytechnic Inst., Troy, NY (United States). Dept. of Materials Science and Engineering; Chaudhuri, Anabil [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials; Smith, Michael L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Advanced Material Sciences; Allerman, Andrew A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Advanced Material Sciences; Lee, S. C. [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials; Brueck, S. R. J. [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials; Wetzel, Christian [Rensselaer Polytechnic Inst., Troy, NY (United States). Dept. of Physics, Applied Physics, and Astronomy and Dept. of Materials Science and Engineering

2016-03-01

GaInN/GaN heterostructures of cubic phase have the potential to overcome the limitations of wurtzite structures commonly used for light emitting and laser diodes. Wurtzite GaInN suffers from large internal polarization fields, which force design compromises ( 0001 ) towards ultra-narrow quantum wells and reduce recombination volume and efficiency. Cubic GaInN microstripes grown at Rensselaer Polytechnic Institute by metal organic vapor phase epitaxy on micropatterned Si , with {111} v-grooves oriented along Si ( 001 ) , offer a system free of internal polarization fields, wider quantum wells, and smaller <00$\\bar1$> bandgap energy. We prepared 6 and 9 nm Ga _x In _1-x N/GaN single quantum well structures with peak wavelength ranges from 520 to 570 nm with photons predominately polarized perpendicular to the grooves. We estimate a cubic InN composition range of 0 < x < 0.5 and an upper limit of the internal quantum efficiency of 50%. Stripe geometry and polarization may be suitable for mode confinement and reduced threshold stimulated emission.

Effective-medium theory for nonlinear magneto-optics in magnetic granular alloys: cubic nonlinearity

International Nuclear Information System (INIS)

Granovsky, Alexander B.; Kuzmichov, Michail V.; Clerc, J.-P.; Inoue, Mitsuteru

2003-01-01

We propose a simple effective-medium approach for calculating the effective dielectric function of a magnetic metal-insulator granular alloy in which there is a weakly nonlinear relation between electric displacement D and electric field E for both constituent materials of the form D i =ε i (0) E i +χ i (3) |E i | 2 E i . We assume that linear ε i (0) and cubic nonlinear χ i (3) dielectric functions are diagonal and linear with magnetization non-diagonal components. For such metal-insulator composite magneto-optical effects depend on a light intensity and the effective cubic dielectric function χ eff (3) can be significantly greater (up to 10 3 times) than that for constituent materials. The calculation scheme is based on the Bergman and Stroud-Hui theory of nonlinear optical properties of granular matter. The giant cubic magneto-optical nonlinearity is found for composites with metallic volume fraction close to the percolation threshold and at a resonance of optical conductivity. It is shown that a composite may exhibit nonlinear magneto-optics even when both constituent materials have no cubic magneto-optical nonlinearity

Plasma deposition of cubic boron nitride films from non-toxic material at low temperatures

International Nuclear Information System (INIS)

Karim, M.Z.; Cameron, D.C.; Murphy, M.J.; Hashmi, M.S.J.

1991-01-01

Boron nitride has become the focus of a considerable amount of interest because of its properties which relate closely to those of carbon. In particular, the cubic nitride phase has extreme hardness and very high thermal conductivity similar to the properties of diamond. The conventional methods of synthesis use the highly toxic and inflammable gas diborane (B 2 H 6 ) as the reactant material. A study has been made of the deposition of thin films of boron nitride (BN) using non-toxic material by the plasma-assisted chemical vapour deposition technique. The source material was borane-ammonia (BH 3 -NH 3 ) which is a crystalline solid at room temperature with a high vapour pressure. The BH 3 -NH 3 vapour was decomposed in a 13.56 MHz nitrogen plasma coupled either inductively or capacitively with the system. The composition of the films was assessed by measuring their IR absorption when deposited on silicon and KBr substrates. The hexagonal (graphitic) and cubic (diamond-like) allotropes can be distinguished by their characteristic absorption bands which occur at 1365 and 780 cm -1 (hexagonal) and 1070 cm -1 (cubic). We have deposited BN films consisting of a mixture of hexagonal and cubic phases; the relative content of the cubic phase was found to be directly dependent on r.f. power and substrate bias. (orig.)

Fermi surface properties of paramagnetic NpCd11 with a large unit cell

Science.gov (United States)

Homma, Yoshiya; Aoki, Dai; Haga, Yoshinori; Settai, Rikio; Sakai, Hironori; Ikeda, Shugo; Yamamoto, Etsuji; Nakamura, Akio; Shiokawa, Yoshinobu; Takeuchi, Tetsuya; Yamagami, Hiroshi; Ōnuki, Yoshichika

2010-03-01

We succeeded in growing a high-quality single crystal of NpCd11 with the cubic BaHg11-type structure by the Cd-self flux method. The lattice parameter of a = 9.2968(2) Å and crystallographic positions of the atoms were determined by x-ray single-crystal structure analysis. From the results of the magnetic susceptibility and specific heat experiments, this compound is found to be a 5f-localized paramagnet with the singlet ground state in the crystalline electric field (CEF) scheme. Fermi surface properties were measured using the de Haas-van Alphen (dHvA) technique. Long-period oscillations were observed in the dHvA frequency range of 9.1 x 105 to 1.9 x 107 Oe, indicating small cross-sectional areas of Fermi surfaces, which is consistent with a small Brillouin zone based on a large unit cell. From the results of dHvA and magnetoresistance experiments, the Fermi surface of NpCd11 is found to consist of many kinds of closed Fermi surfaces and a multiply-connected-like Fermi surface, although the result of energy band calculations based on the 5f-localized Np3+(5f4) configuration reveals the existence of only closed Fermi surfaces. The corresponding cyclotron effective mass is small, ranging from 0.1 to 0.7 m0, which is consistent with a small electronic specific heat coefficient γ ≅ 10mJ/K2·mol, revealing no hybridization between the 5f electrons and conduction electrons.

Learning about the Unit Cell and Crystal Lattice with Computerized Simulations and Games: A Pilot Study

Science.gov (United States)

Luealamai, Sutha; Panijpan, Bhinyo

2012-01-01

The authors have developed a computer-based learning module on the unit cell of various types of crystal. The module has two components: the virtual unit cell (VUC) part and the subsequent unit cell hunter part. The VUC is a virtual reality simulation for students to actively arrive at the unit cell from exploring, from a broad view, the crystal…

The n-component cubic model and flows: subgraph break-collapse method

International Nuclear Information System (INIS)

Essam, J.W.; Magalhaes, A.C.N. de.

1988-01-01

We generalise to the n-component cubic model the subgraph break-collapse method which we previously developed for the Potts model. The relations used are based on expressions which we recently derived for the Z(λ) model in terms of mod-λ flows. Our recursive algorithm is similar, for n = 2, to the break-collapse method for the Z(4) model proposed by Mariz and coworkers. It allows the exact calculation for the partition function and correlation functions for n-component cubic clusters with n as a variable, without the need to examine all of the spin configurations. (author) [pt

Experimental and numerical studies on pressure drop in reverse electrodialysis: Effect of unit cell configuration

Energy Technology Data Exchange (ETDEWEB)

Hong, Sung Kook; Choi, Kyung Soo [Advanced Combustion Laboratory, Korea Institute of Energy Research, Daejeon (Korea, Republic of); Kim, Chan Soo; Hwang, Kyo Sik; Han, Ji Hyung; Kim, Han Ki; Jeong, Nam Jo [Jeju Global Research Center, Korea Institute of Energy Research, Jeju (Korea, Republic of)

2016-11-15

Experimental and numerical studies on pressure drop in Reverse electrodialysis (RED) were performed. In this study, a module with 200 unit cells is considered for the demonstration of bench-scale RED module and two different unit cell configurations are utilized. Pressure drop through the module is measured by varying flow rates. For evaluating the hydrodynamic characteristics in the unit cell, a numerical simulation is also conducted and the simplified method using a porous media model is employed to simulate the channel filled with spacer. Due to the insertion of spacer and narrow channel, great pressure loss occurs along the unit cell. Based on estimated pressure data, high pressure difference between seawater and fresh water channel takes place locally in the unit cell configuration with crossflow direction, leading to a leakage problem through the membrane and finally degradation in the output power. Consequently, it is confirmed that the unit cell configuration is one of the important design parameters in a RED module.

Longitudinal sound velocities, elastic anisotropy, and phase transition of high-pressure cubic H2O ice to 82 GPa

Science.gov (United States)

Kuriakose, Maju; Raetz, Samuel; Hu, Qing Miao; Nikitin, Sergey M.; Chigarev, Nikolay; Tournat, Vincent; Bulou, Alain; Lomonosov, Alexey; Djemia, Philippe; Gusev, Vitalyi E.; Zerr, Andreas

2017-10-01

Water ice is a molecular solid whose behavior under compression reveals the interplay of covalent bonding in molecules and forces acting between them. This interplay determines high-pressure phase transitions, the elastic and plastic behavior of H2O ice, which are the properties needed for modeling the convection and internal structure of the giant planets and moons of the solar system as well as H2O -rich exoplanets. We investigated experimentally and theoretically elastic properties and phase transitions of cubic H2O ice at room temperature and high pressures between 10 and 82 GPa. The time-domain Brillouin scattering (TDBS) technique was used to measure longitudinal sound velocities (VL) in polycrystalline ice samples compressed in a diamond anvil cell. The high spatial resolution of the TDBS technique revealed variations of VL caused by elastic anisotropy, allowing us to reliably determine the fastest and the slowest sound velocity in a single crystal of cubic H2O ice and thus to evaluate existing equations of state. Pressure dependencies of the single-crystal elastic moduli Ci j(P ) of cubic H2O ice to 82 GPa have been obtained which indicate its hardness and brittleness. These results were compared with ab initio calculations. It is suggested that the transition from molecular ice VII to ionic ice X occurs at much higher pressures than proposed earlier, probably above 80 GPa.

On the magnetization process and the associated probability in anisotropic cubic crystals

Energy Technology Data Exchange (ETDEWEB)

Khedr, D.M., E-mail: doaamohammed88@gmail.com [Department of Basic Science, Modern Academy of Engineering and Technology at Maadi, Cairo (Egypt); Aly, Samy H.; Shabara, Reham M. [Department of Physics, Faculty of Science at Damietta, University of Damietta, Damietta (Egypt); Yehia, Sherif [Department of Physics, Faculty of Science at Helwan, University of Helwan, Helwan (Egypt)

2017-05-15

We present a theoretical method to calculate specific magnetic properties, e.g. magnetization curves, magnetic susceptibility and probability landscapes along the [100], [110] and [111] crystallographic directions of a crystal of cubic symmetry. The probability landscape displays the evolution of the most probable angular orientation of the magnetization vector, for selected temperatures and magnetic fields. Our method is based on the premises of classical statistical mechanics. The energy density, used in the partition function, is the sum of magnetic anisotropy and Zeeman energies, however no other energies e.g. elastic or magnetoelastic terms are considered in the present work. Model cubic systems of diverse anisotropies are analyzed first, and subsequently material magnetic systems of cubic symmetry; namely iron, nickel and Co{sub x} Fe{sub 100−x} compounds, are discussed. We highlight a correlation between magnetization curves and the associated probability landscapes. In addition, determination of easiest axes of magnetization, using energy consideration, is done and compared with the results of the present method.

A Unified Approach to Teaching Quadratic and Cubic Equations.

Science.gov (United States)

Ward, A. J. B.

2003-01-01

Presents a simple method for teaching the algebraic solution of cubic equations via completion of the cube. Shows that this method is readily accepted by students already familiar with completion of the square as a method for quadratic equations. (Author/KHR)

Anisotropic strains and magnetoresistance of La0.7Ca0.3MnO3

International Nuclear Information System (INIS)

Koo, T.Y.; Park, S.H.; Lee, K.; Jeong, Y.H.

1997-01-01

Thin films of perovskite manganite La 0.7 Ca 0.3 MnO 3 were grown epitaxially on SrTiO 3 (100), MgO(100) and LaAlO 3 (100) substrates by the pulsed laser deposition method. Microscopic structures of these thin film samples as well as a bulk sample were fully determined by x-ray diffraction measurements. The unit cells of the three films have different shapes, i.e., contracted tetragonal, cubic, and elongated tetragonal for SrTiO 3 , MgO, and LaAlO 3 , respectively, while the unit cell of the bulk is cubic. It is found that the samples with a cubic unit cell show smaller peak magnetoresistance at low fields (approx-lt 1T) than the noncubic ones do. The present result demonstrates that the magnetoresistance of La 0.7 Ca 0.3 MnO 3 at low fields can be controlled by lattice distortion via externally imposed strains. copyright 1997 American Institute of Physics

Analysis of moderately thin-walled beam cross-sections by cubic isoparametric elements

DEFF Research Database (Denmark)

Høgsberg, Jan Becker; Krenk, Steen

2014-01-01

In technical beam theory the six equilibrium states associated with homogeneous tension, bending, shear and torsion are treated as individual load cases. This enables the formulation of weak form equations governing the warping from shear and torsion. These weak form equations are solved...... numerically by introducing a cubic-linear two-dimensional isoparametric element. The cubic interpolation of this element accurately represents quadratic shear stress variations along cross-section walls, and thus moderately thin-walled cross-sections are effectively discretized by these elements. The ability...

An explicit approximate solution to the Duffing-harmonic oscillator by a cubication method

International Nuclear Information System (INIS)

Belendez, A.; Mendez, D.I.; Fernandez, E.; Marini, S.; Pascual, I.

2009-01-01

The nonlinear oscillations of a Duffing-harmonic oscillator are investigated by an approximated method based on the 'cubication' of the initial nonlinear differential equation. In this cubication method the restoring force is expanded in Chebyshev polynomials and the original nonlinear differential equation is approximated by a Duffing equation in which the coefficients for the linear and cubic terms depend on the initial amplitude, A. The replacement of the original nonlinear equation by an approximate Duffing equation allows us to obtain explicit approximate formulas for the frequency and the solution as a function of the complete elliptic integral of the first kind and the Jacobi elliptic function, respectively. These explicit formulas are valid for all values of the initial amplitude and we conclude this cubication method works very well for the whole range of initial amplitudes. Excellent agreement of the approximate frequencies and periodic solutions with the exact ones is demonstrated and discussed and the relative error for the approximate frequency is as low as 0.071%. Unlike other approximate methods applied to this oscillator, which are not capable to reproduce exactly the behaviour of the approximate frequency when A tends to zero, the cubication method used in this Letter predicts exactly the behaviour of the approximate frequency not only when A tends to infinity, but also when A tends to zero. Finally, a closed-form expression for the approximate frequency is obtained in terms of elementary functions. To do this, the relationship between the complete elliptic integral of the first kind and the arithmetic-geometric mean as well as Legendre's formula to approximately obtain this mean are used.

Effective-medium theory for nonlinear magneto-optics in magnetic granular alloys: cubic nonlinearity

Energy Technology Data Exchange (ETDEWEB)

Granovsky, Alexander B. E-mail: granov@magn.ru; Kuzmichov, Michail V.; Clerc, J.-P.; Inoue, Mitsuteru

2003-03-01

We propose a simple effective-medium approach for calculating the effective dielectric function of a magnetic metal-insulator granular alloy in which there is a weakly nonlinear relation between electric displacement D and electric field E for both constituent materials of the form D{sub i}={epsilon}{sub i}{sup (0)}E{sub i} +{chi}{sub i}{sup (3)}|E{sub i}|{sup 2}E{sub i}. We assume that linear {epsilon}{sub i}{sup (0)} and cubic nonlinear {chi}{sub i}{sup (3)} dielectric functions are diagonal and linear with magnetization non-diagonal components. For such metal-insulator composite magneto-optical effects depend on a light intensity and the effective cubic dielectric function {chi}{sub eff}{sup (3)} can be significantly greater (up to 10{sup 3} times) than that for constituent materials. The calculation scheme is based on the Bergman and Stroud-Hui theory of nonlinear optical properties of granular matter. The giant cubic magneto-optical nonlinearity is found for composites with metallic volume fraction close to the percolation threshold and at a resonance of optical conductivity. It is shown that a composite may exhibit nonlinear magneto-optics even when both constituent materials have no cubic magneto-optical nonlinearity.

Immobilization of bioactive fibroblast growth factor-2 into cubic proteinous microcrystals (Bombyx mori cypovirus polyhedra) that are insoluble in a physiological cellular environment.

Science.gov (United States)

Mori, Hajime; Shukunami, Chisa; Furuyama, Akiko; Notsu, Hiroyuki; Nishizaki, Yuriko; Hiraki, Yuji

2007-06-08

The supramolecular architecture of the extracellular matrix and the disposition of its specific accessory molecules give rise to variable heterotopic signaling cues for single cells. Here we have described the successful occlusion of human fibroblast growth factor-2 (FGF-2) into the cubic inclusion bodies (FGF-2 polyhedra) of the Bombyx mori cytoplasmic polyhedrosis virus (BmCPV). The polyhedra are proteinous cubic crystals of several microns in size that are insoluble in the extracellular milieu. Purified FGF-2 polyhedra were found to stimulate proliferation and phosphorylation of p44/p42 mitogen-activated protein kinase in cultured fibroblasts. Moreover, cellular responses were blocked by a synthetic inhibitor of the FGF signaling pathway, SU5402, suggesting that FGF-2 polyhedra indeed act through FGF receptors. Furthermore, FGF-2 polyhedra retained potent growth stimulatory properties even after desiccation. We have demonstrated that BmCPV polyhedra microcrystals that occlude extracellular signaling proteins are a novel and versatile tool that can be employed to analyze cellular behavior at the single cell level.

Cubic systems with invariant affine straight lines of total parallel multiplicity seven

Directory of Open Access Journals (Sweden)

Alexandru Suba

2013-12-01

Full Text Available In this article, we study the planar cubic differential systems with invariant affine straight lines of total parallel multiplicity seven. We classify these system according to their geometric properties encoded in the configurations of invariant straight lines. We show that there are only 17 different topological phase portraits in the Poincar\\'e disc associated to this family of cubic systems up to a reversal of the sense of their orbits, and we provide representatives of every class modulo an affine change of variables and rescaling of the time variable.

The influence of a cubic building on a roof mounted wind turbine

OpenAIRE

Micallef, D.; Sant, Tonio; Simao Ferreira, C.

2016-01-01

The performance of a wind turbine located above a cubic building is not well understood. This issue is of fundamental importance for the design of small scale wind turbines. One variable which is of particular importance in this respect is the turbine height above roof level. In this work, the power performance of a small wind turbine is assessed as a function of the height above the roof of a generic cubic building. A 3D Computational Fluid Dynamics model of a 10m x 10m x 10m building is use...

Electrostatic Effects in Phase Transitions of Biomembranes between Cubic Phases and Lamellar Liquid-Crystalline (Lα) phase

Science.gov (United States)

Masum, Shah Md.; Li, Shu Jie; Tamba, Yukihiro; Yamashita, Yuko; Yamazaki, Masahito

2004-04-01

Elucidation of the mechanisms of transitions between cubic phase and liquid-crystalline (Lα) phase, and between different IPMS cubic phases, are essential for understanding of dynamics of biomembranes and topological transformation of lipid membranes. Recently, we found that electrostatic interactions due to surface charges of lipid membranes induce transition between cubic phase and Lα phase, and between different IPMS cubic phases. As electrostatic interactions increase, the most stable phase of a monoolein (MO) membrane changes: Q224 ⇒ Q229 ⇒ Lα. We also found that a de novo designed peptide partitioning into electrically neutral lipid membrane changed the phase stability of the MO membranes. As peptide-1 concentration increased, the most stable phase of a MO membrane changes: Q224 ⇒ Q229 ⇒Lα. In both cases, the increase in the electrostatic repulsive interaction greatly reduced the absolute value of spontaneous curvature of the MO monolayer membrane. We also investigated factors such as poly (L-lysine) and osmotic stress to control structure and phase stability of DOPA/MO membranes. Based on these results, we discuss the mechanism of the effect of electrostatic interactions on the stability of cubic phase.

Synthesis of Gold Nanoparticle-Embedded Silver Cubic Mesh Nanostructures Using AgCl Nanocubes for Plasmonic Photocatalysis.

Science.gov (United States)

Joo, Jang Ho; Kim, Byung-Ho; Lee, Jae-Seung

2017-11-01

A novel room-temperature aqueous synthesis for gold nanoparticle-embedded silver cubic mesh nanostructures using AgCl templates via a template-assisted coreduction method is developed. The cubic AgCl templates are coreduced in the presence of AuCl 4 - and Ag + , resulting in the reduction of AuCl 4 - into gold nanoparticles on the outer region of AgCl templates, followed by the reduction of AgCl and Ag + into silver cubic mesh nanostructures. Removal of the template clearly demonstrates the delicately designed silver mesh nanostructures embedded with gold nanoparticles. The synthetic mechanism, structural properties, and surface functionalization are spectroscopically investigated. The plasmonic photocatalysis of the cubic mesh nanostructures for the degradation of organic pollutants and removal of highly toxic metal ions is investigated; the photocatalytic activity of the cubic mesh nanostructures is superior to those of conventional TiO 2 catalysts and they are catalytically functional even in natural water, owing to their high surface area and excellent chemical stability. The synthetic development presented in this study can be exploited for the highly elaborate, yet, facile design of nanomaterials with outstanding properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quasiparticle Interference on Cubic Perovskite Oxide Surfaces.

Science.gov (United States)

Okada, Yoshinori; Shiau, Shiue-Yuan; Chang, Tay-Rong; Chang, Guoqing; Kobayashi, Masaki; Shimizu, Ryota; Jeng, Horng-Tay; Shiraki, Susumu; Kumigashira, Hiroshi; Bansil, Arun; Lin, Hsin; Hitosugi, Taro

2017-08-25

We report the observation of coherent surface states on cubic perovskite oxide SrVO_{3}(001) thin films through spectroscopic-imaging scanning tunneling microscopy. A direct link between the observed quasiparticle interference patterns and the formation of a d_{xy}-derived surface state is supported by first-principles calculations. We show that the apical oxygens on the topmost VO_{2} plane play a critical role in controlling the coherent surface state via modulating orbital state.

Cathodoluminescence of cubic boron nitride

International Nuclear Information System (INIS)

Tkachev, V.D.; Shipilo, V.B.; Zaitsev, A.M.

1985-01-01

Three types of optically active defect were observed in single-crystal and polycrystalline cubic boron nitride (β-BN). An analysis of the temperature dependences of the intensity, half-width, and energy shift of a narrow zero-phonon line at 1.76 eV (GC-1 center) made it possible to interpret the observed cathodoluminescence spectra as an optical analog of the Moessbauer effect. A comparison of the results obtained in the present study with the available data on diamond single crystals made it possible to identify the observed GC-1 center as a nitrogen vacancy. It was concluded that optical Moessbauer-type spectra can be used to analyze structure defects in the crystal lattice of β-BN

Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

International Nuclear Information System (INIS)

Engel, Edgar A.; Needs, Richard J.; Monserrat, Bartomeu

2016-01-01

Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

Application of Cubic Box Spline Wavelets in the Analysis of Signal Singularities

Directory of Open Access Journals (Sweden)

Rakowski Waldemar

2015-12-01

Full Text Available In the subject literature, wavelets such as the Mexican hat (the second derivative of a Gaussian or the quadratic box spline are commonly used for the task of singularity detection. The disadvantage of the Mexican hat, however, is its unlimited support; the disadvantage of the quadratic box spline is a phase shift introduced by the wavelet, making it difficult to locate singular points. The paper deals with the construction and properties of wavelets in the form of cubic box splines which have compact and short support and which do not introduce a phase shift. The digital filters associated with cubic box wavelets that are applied in implementing the discrete dyadic wavelet transform are defined. The filters and the algorithme à trous of the discrete dyadic wavelet transform are used in detecting signal singularities and in calculating the measures of signal singularities in the form of a Lipschitz exponent. The article presents examples illustrating the use of cubic box spline wavelets in the analysis of signal singularities.

Initial post dynamic buckling of a quadratic-cubic column ...

African Journals Online (AJOL)

In this investigation, we determine the dynamic buckling load of an imperfect finite column resting on a mixed quadratic-cubic nonlinear elastic foundation trapped by an explicitly time dependent sinusoidally slowly varying dynamic load .The resultant coefficients are dynamically slowly varying and the formulation contains ...

Exact solutions for the cubic-quintic nonlinear Schroedinger equation

International Nuclear Information System (INIS)

Zhu Jiamin; Ma Zhengyi

2007-01-01

In this paper, the cubic-quintic nonlinear Schroedinger equation is solved through the extended elliptic sub-equation method. As a consequence, many types of exact travelling wave solutions are obtained which including bell and kink profile solitary wave solutions, triangular periodic wave solutions and singular solutions

First-principles investigation on the mechanism of photocatalytic properties for cubic and orthorhombic KNbO3

Science.gov (United States)

Xu, Yong-Qiang; Wu, Shao-Yi; Ding, Chang-Chun; Wu, Li-Na; Zhang, Gao-Jun

2018-03-01

The geometric structures, band structures, density of states and optical absorption spectra are studied for cubic and orthorhombic KNbO3 (C- and O-KNO) crystals by using first-principles calculations. Based on the above calculation results, the mechanisms of photocatalytic properties for both crystals are further theoretically investigated to deepen the understandings of their photocatalytic activity from the electronic level. Calculations for the effective masses of electron and hole are carried out to make comparison in photocatalytic performance between cubic and orthorhombic phases. Optical absorption in cubic phase is found to be stronger than that in orthorhombic phase. C-KNO has smaller electron effective mass, higher mobility of photogenerated electrons, lower electron-hole recombination rate and better light absorption capacity than O-KNO. So, the photocatalytic activity of cubic phase can be higher than orthorhombic one. The present work may be beneficial to explore the series of perovskite photocatalysts.

Bicontinuous cubic liquid crystalline nanoparticles for oral delivery of Doxorubicin

DEFF Research Database (Denmark)

Swarnakar, Nitin K; Thanki, Kaushik; Jain, Sanyog

2014-01-01

PURPOSE: The present study explores the potential of bicontinous cubic liquid crystalline nanoparticles (LCNPs) for improving therapeutic potential of doxorubicin. METHODS: Phytantriol based Dox-LCNPs were prepared using hydrotrope method, optimized for various formulation components, process...

Using stochastic cell division and death to probe minimal units of cellular replication

Science.gov (United States)

Chib, Savita; Das, Suman; Venkatesan, Soumya; Sai Narain Seshasayee, Aswin; Thattai, Mukund

2018-03-01

The invariant cell initiation mass measured in bacterial growth experiments has been interpreted as a minimal unit of cellular replication. Here we argue that the existence of such minimal units induces a coupling between the rates of stochastic cell division and death. To probe this coupling we tracked live and dead cells in Escherichia coli populations treated with a ribosome-targeting antibiotic. We find that the growth exponent from macroscopic cell growth or decay measurements can be represented as the difference of microscopic first-order cell division and death rates. The boundary between cell growth and decay, at which the number of live cells remains constant over time, occurs at the minimal inhibitory concentration (MIC) of the antibiotic. This state appears macroscopically static but is microscopically dynamic: division and death rates exactly cancel at MIC but each is remarkably high, reaching 60% of the antibiotic-free division rate. A stochastic model of cells as collections of minimal replicating units we term ‘widgets’ reproduces both steady-state and transient features of our experiments. Sub-cellular fluctuations of widget numbers stochastically drive each new daughter cell to one of two alternate fates, division or death. First-order division or death rates emerge as eigenvalues of a stationary Markov process, and can be expressed in terms of the widget’s molecular properties. High division and death rates at MIC arise due to low mean and high relative fluctuations of widget number. Isolating cells at the threshold of irreversible death might allow molecular characterization of this minimal replication unit.

HRTEM studies of dislocations in cubic BN

International Nuclear Information System (INIS)

Nistor, L.C.; Tendeloo, G. van; Dinca, G.

2004-01-01

The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

HRTEM studies of dislocations in cubic BN

Energy Technology Data Exchange (ETDEWEB)

Nistor, L.C. [National Institute for Materials Physics, P.O. Box MG-7 Magurele, 077125 Bucharest (Romania); Tendeloo, G. van [University of Antwerp, EMAT, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Dinca, G. [Dacia Synthetic Diamond Factory, Timisoara av. 5, P.O. Box 58-52, 077350 Bucharest (Romania)

2004-09-01

The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Electrochemical properties and diffusion of a redox active surfactant incorporated in bicontinuous cubic and lamellar phase

International Nuclear Information System (INIS)

Kostela, J.; Elmgren, M.; Almgren, M.

2005-01-01

The objective of this study was to investigate the electrochemical behaviour of the divalent redox active surfactant, N-cetyl-N'-methylviologen (CMV), in bicontinuous cubic and lamellar phases. The liquid crystalline phases were prepared from the system glycerolmonooleate (GMO)-water (and brine)-cationic surfactant. A comparison of the phase behaviour of GMO with the monovalent cetyltrimethylammonium bromide (CTAB) and the divalent CMV surfactant showed that the surfactants gave about the same effect at the same surface charge density. The electrochemical measurements were made with a mixture of CTAB and CMV as the surfactant. Cyclic voltammetry was used to study the electrochemistry of CMV incorporated in the cubic and lamellar phases that were spread on a gold electrode. The E 0 -values in the cubic samples were more negative (-0.55 V versus SCE) than in the lamellar samples (-0.53 V versus SCE). This can be explained by the higher charge density in the lamellar phase. The diffusion coefficients were also measured in the cubic phase. The mass transport is slowed down about fifty times in the cubic phase compared to in the pure electrolyte. The concentration dependence on the diffusion coefficient was also investigated. No electron hopping could be observed, which suggest that diffusional movement of the redox probe is the main source of charge transport. By placing the samples on a conducting glass slide, spectroelectrochemical investigations were performed. In the lamellar phase strong dimerization was detected at high concentration of viologen, but much less in the cubic phase

Electrochemical properties and diffusion of a redox active surfactant incorporated in bicontinuous cubic and lamellar phase

Energy Technology Data Exchange (ETDEWEB)

Kostela, J. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden)]. E-mail: johan.kostela@fki.uu.se; Elmgren, M. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden); Almgren, M. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden)

2005-05-30

The objective of this study was to investigate the electrochemical behaviour of the divalent redox active surfactant, N-cetyl-N'-methylviologen (CMV), in bicontinuous cubic and lamellar phases. The liquid crystalline phases were prepared from the system glycerolmonooleate (GMO)-water (and brine)-cationic surfactant. A comparison of the phase behaviour of GMO with the monovalent cetyltrimethylammonium bromide (CTAB) and the divalent CMV surfactant showed that the surfactants gave about the same effect at the same surface charge density. The electrochemical measurements were made with a mixture of CTAB and CMV as the surfactant. Cyclic voltammetry was used to study the electrochemistry of CMV incorporated in the cubic and lamellar phases that were spread on a gold electrode. The E {sup 0}-values in the cubic samples were more negative (-0.55 V versus SCE) than in the lamellar samples (-0.53 V versus SCE). This can be explained by the higher charge density in the lamellar phase. The diffusion coefficients were also measured in the cubic phase. The mass transport is slowed down about fifty times in the cubic phase compared to in the pure electrolyte. The concentration dependence on the diffusion coefficient was also investigated. No electron hopping could be observed, which suggest that diffusional movement of the redox probe is the main source of charge transport. By placing the samples on a conducting glass slide, spectroelectrochemical investigations were performed. In the lamellar phase strong dimerization was detected at high concentration of viologen, but much less in the cubic phase.

Diamond cubic phase of monoolein and water as an amphiphilic matrix for electrophoresis of oligonucleotides.

Science.gov (United States)

Carlsson, Nils; Winge, Ann-Sofie; Engström, Sven; Akerman, Björn

2005-10-06

We used a cubic liquid crystal formed by the nonionic monoglyceride monoolein and water as a porous matrix for the electrophoresis of oligonucleotides. The diamond cubic phase is thermodynamically stable when in contact with a water-rich phase, which we exploit to run the electrophoresis in the useful submarine mode. Oligonucleotides are separated according to size and secondary structure by migration through the space-filling aqueous nanometer pores of the regular liquid crystal, but the comparatively slow migration means the cubic phase will not be a replacement for the conventional DNA gels. However, our demonstration that the cubic phase can be used in submarine electrophoresis opens up the possibility for a new matrix for electrophoresis of amphiphilic molecules. From this perspective, the results on the oligonucleotides show that water-soluble particles of nanometer size, typical for the hydrophilic parts of membrane-bound proteins, may be a useful separation motif. A charged contamination in the commercial sample of monoolein, most likely oleic acid that arises from its hydrolysis, restricts useful buffer conditions to a pH below 5.6.

Polarized infrared reflectance study of free standing cubic GaN grown by molecular beam epitaxy

International Nuclear Information System (INIS)

Lee, S.C.; Ng, S.S.; Hassan, H. Abu; Hassan, Z.; Zainal, N.; Novikov, S.V.; Foxon, C.T.; Kent, A.J.

2014-01-01

Optical properties of free standing cubic gallium nitride grown by molecular beam epitaxy system are investigated by a polarized infrared (IR) reflectance technique. A strong reststrahlen band, which reveals the bulk-like optical phonon frequencies, is observed. Meanwhile, continuous oscillation fringes, which indicate the sample consists of two homogeneous layers with different dielectric constants, are observed in the non-reststrahlen region. By obtaining the first derivative of polarized IR reflectance spectra measured at higher angles of incidence, extra phonon resonances are identified at the edges of the reststrahlen band. The observations are verified with the theoretical results simulated based on a multi-oscillator model. - Highlights: • First time experimental studies of IR optical phonons in bulk like, cubic GaN layer. • Detection of extra phonon modes of cubic GaN by polarized IR reflectance technique. • Revelation of IR multiphonon modes of cubic GaN by first derivative numerical method. • Observation of multiphonon modes requires very high angle of incidence. • Resonance splitting effect induced by third phonon mode is a qualitative indicator

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures.

Science.gov (United States)

Warmuth, Franziska; Körner, Carolin

2015-12-02

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

Nested structures approach in designing an isotropic negative-index material for infrared

DEFF Research Database (Denmark)

Andryieuski, Andrei; Malureanu, Radu; Lavrinenko, Andrei

2009-01-01

We propose a new generic approach for designing isotropic metamaterial with nested cubic structures. As an example, a three-dimensional isotropic unit cell design "Split Cube in Cage" (SCiC) is shown to exhibit an effective negative refractive index on infrared wavelengths. We report on the refra......We propose a new generic approach for designing isotropic metamaterial with nested cubic structures. As an example, a three-dimensional isotropic unit cell design "Split Cube in Cage" (SCiC) is shown to exhibit an effective negative refractive index on infrared wavelengths. We report...

Investigation of the validity of radiosity for sound-field prediction in cubic rooms

Science.gov (United States)

Nosal, Eva-Marie; Hodgson, Murray; Ashdown, Ian

2004-12-01

This paper explores acoustical (or time-dependent) radiosity using predictions made in four cubic enclosures. The methods and algorithms used are those presented in a previous paper by the same authors [Nosal, Hodgson, and Ashdown, J. Acoust. Soc. Am. 116(2), 970-980 (2004)]. First, the algorithm, methods, and conditions for convergence are investigated by comparison of numerous predictions for the four cubic enclosures. Here, variables and parameters used in the predictions are varied to explore the effect of absorption distribution, the necessary conditions for convergence of the numerical solution to the analytical solution, form-factor prediction methods, and the computational requirements. The predictions are also used to investigate the effect of absorption distribution on sound fields in cubic enclosures with diffusely reflecting boundaries. Acoustical radiosity is then compared to predictions made in the four enclosures by a ray-tracing model that can account for diffuse reflection. Comparisons are made of echograms, room-acoustical parameters, and discretized echograms. .

Synthesis and characterization of gold cubic nanoshells using water-soluble GeO₂templates.

Science.gov (United States)

Wang, Cen; Tang, Peisong; Ge, Mingyuan; Xu, Xiaobin; Cao, Feng; Jiang, J Z

2011-04-15

Size-tunable GeO₂ nanocubes were initially prepared by a modified sono-assisted reverse micelle method and then functionalized with an amino-terminated silanizing agent. Subsequently, gold decorated GeO₂ nanocomposites were prepared at pH ≈ 7 and 80 °C. It was found that well-dispersed gold nanoparticles on GeO₂ nanocubes could be obtained only if gold salt is abundant to favor simultaneous, homogeneous nucleation of gold particles. Additional gold ions were reduced onto these attached 'seed' particles accompanied by synchronous dissolution of water-soluble GeO₂ cores, resulting in gold hollow cubic shells. The GeO₂ nanocubes and Au/GeO₂ nanocomposites as well as gold hollow cubic shells were characterized by transmission electron microscopy, scanning electron microscopy, x-ray diffraction and UV-visible spectroscopy. In particular, gold hollow cubic shells feature a plasmon resonance peak at above 900 nm, which renders it quite promising in biochemical applications.

First-principles cluster variation calculations of tetragonal-cubic transition in ZrO2

International Nuclear Information System (INIS)

Mohri, Tetsuo; Chen, Ying; Kiyokane, Naoya

2013-01-01

Highlights: ► Cluster variation method is extended to study displacive transition. ► Electronic structure total energy calculations are performed on ZrO2. ► Tetragonal-cubic transition is studied within the framework of order -disorder transition. -- Abstract: It is attempted to extend the basic idea of continuous displacement cluster variation method (CDCVM) to the study of a displacive phase transition. As a preliminary study, we focus on cubic to tetragonal transition in ZrO 2 in which oxygen atoms on the cubic lattice are displaced alternatively in the opposite direction (upward and downward) along the tetragonal axis. Within the CDCVM, displaced atoms are regarded as different atomic species, and two distinguished atoms, A-oxygen (upward shifting) and B-oxygen (downward shifting), are introduced in the description of the free energy. FLAPW electronic structure total energy calculations are performed to extract effective interaction energies among displaced oxygen atoms, and by combing them with CDCVM, the transition temperature is calculated from the first-principles

Mechanical and Thermophysical Properties of Cubic Rock-Salt AlN Under High Pressure

Science.gov (United States)

Lebga, Noudjoud; Daoud, Salah; Sun, Xiao-Wei; Bioud, Nadhira; Latreche, Abdelhakim

2018-03-01

Density functional theory, density functional perturbation theory, and the Debye model have been used to investigate the structural, elastic, sound velocity, and thermodynamic properties of AlN with cubic rock-salt structure under high pressure, yielding the equilibrium structural parameters, equation of state, and elastic constants of this interesting material. The isotropic shear modulus, Pugh ratio, and Poisson's ratio were also investigated carefully. In addition, the longitudinal, transverse, and average elastic wave velocities, phonon contribution to the thermal conductivity, and interesting thermodynamic properties were predicted and analyzed in detail. The results demonstrate that the behavior of the elastic wave velocities under increasing hydrostatic pressure explains the hardening of the corresponding phonons. Based on the elastic stability criteria under pressure, it is found that AlN with cubic rock-salt structure is mechanically stable, even at pressures up to 100 GPa. Analysis of the Pugh ratio and Poisson's ratio revealed that AlN with cubic rock-salt structure behaves in brittle manner.

Perfect 3-colorings of the cubic graphs of order 10

Directory of Open Access Journals (Sweden)

Mehdi Alaeiyan

2017-10-01

Full Text Available Perfect coloring is a generalization of the notion of completely regular codes, given by Delsarte. A perfect m-coloring of a graph G with m colors is a partition of the vertex set of G into m parts A_1, A_2, ..., A_m such that, for all $ i,j \\in \\lbrace 1, ... , m \\rbrace $, every vertex of A_i is adjacent to the same number of vertices, namely, a_{ij} vertices, of A_j. The matrix $A=(a_{ij}_{i,j\\in \\lbrace 1,... ,m\\rbrace }$, is called the parameter matrix. We study the perfect 3-colorings (also known as the equitable partitions into three parts of the cubic graphs of order 10. In particular, we classify all the realizable parameter matrices of perfect 3-colorings for the cubic graphs of order 10.

Rotated domain network in graphene on cubic-SiC(001)

International Nuclear Information System (INIS)

Chaika, Alexander N; Aristov, Victor Y; Molodtsova, Olga V; Zakharov, Alexei A; Marchenko, Dmitry; Sánchez-Barriga, Jaime; Varykhalov, Andrei; Babenkov, Sergey V; Portail, Marc; Zielinski, Marcin; Murphy, Barry E; Krasnikov, Sergey A; Lübben, Olaf; Shvets, Igor V

2014-01-01

The atomic structure of the cubic-SiC(001) surface during ultra-high vacuum graphene synthesis has been studied using scanning tunneling microscopy (STM) and low-energy electron diffraction. Atomically resolved STM studies prove the synthesis of a uniform, millimeter-scale graphene overlayer consisting of nanodomains rotated by ±13.5° relative to the 〈110〉-directed boundaries. The preferential directions of the domain boundaries coincide with the directions of carbon atomic chains on the SiC(001)-c(2 × 2) reconstruction, fabricated prior to graphene synthesis. The presented data show the correlation between the atomic structures of the SiC(001)-c(2 × 2) surface and the graphene/SiC(001) rotated domain network and pave the way for optimizing large-area graphene synthesis on low-cost cubic-SiC(001)/Si(001) wafers. (paper)

Empirical Derivation of Correction Factors for Human Spiral Ganglion Cell Nucleus and Nucleolus Count Units.

Science.gov (United States)

Robert, Mark E; Linthicum, Fred H

2016-01-01

Profile count method for estimating cell number in sectioned tissue applies a correction factor for double count (resulting from transection during sectioning) of count units selected to represent the cell. For human spiral ganglion cell counts, we attempted to address apparent confusion between published correction factors for nucleus and nucleolus count units that are identical despite the role of count unit diameter in a commonly used correction factor formula. We examined a portion of human cochlea to empirically derive correction factors for the 2 count units, using 3-dimensional reconstruction software to identify double counts. The Neurotology and House Histological Temporal Bone Laboratory at University of California at Los Angeles. Using a fully sectioned and stained human temporal bone, we identified and generated digital images of sections of the modiolar region of the lower first turn of cochlea, identified count units with a light microscope, labeled them on corresponding digital sections, and used 3-dimensional reconstruction software to identify double-counted count units. For 25 consecutive sections, we determined that double-count correction factors for nucleus count unit (0.91) and nucleolus count unit (0.92) matched the published factors. We discovered that nuclei and, therefore, spiral ganglion cells were undercounted by 6.3% when using nucleolus count units. We determined that correction factors for count units must include an element for undercounting spiral ganglion cells as well as the double-count element. We recommend a correction factor of 0.91 for the nucleus count unit and 0.98 for the nucleolus count unit when using 20-µm sections. © American Academy of Otolaryngology—Head and Neck Surgery Foundation 2015.

Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations

International Nuclear Information System (INIS)

Song, T.; Ma, Q.; Sun, X.W.; Liu, Z.J.; Fu, Z.J.; Wei, X.P.; Wang, T.; Tian, J.H.

2016-01-01

The phase transition, electronic band structure, and equation of state (EOS) of cubic TcN are investigated by first-principles pseudopotential method based on density-functional theory. The calculated enthalpies show that TcN has a transformation between zincblende and rocksalt phases and the pressure determined by the relative enthalpy is 32 GPa. The calculated band structure indicates the metallic feature and it might make cubic TcN a better candidate for hard materials. Particular attention is paid to the predictions of volume, bulk modulus and its pressure derivative which play a central role in the formulation of approximate EOSs using the quasi-harmonic Debye model. - Highlights: • The phase transition pressure and electronic band structure for cubic TcN are determined. • Particular attention is paid to investigate the equation of state parameters for cubic TcN. • The thermodynamic properties up to 80 GPa and 3000 K are successfully predicted.

Forbidden transitions in the EPR spectrum of the ferric ion cubic symmetry in magesium oxide

Energy Technology Data Exchange (ETDEWEB)

de Biasi, R S [Instituto Militar de Engenharia, Rio de Janeiro (Brazil). Secao de Engenharia e Ciencia dos Materiais

1979-03-01

The spectrum of the ..delta..m /sub s/=2 transitions of Fe/sup 3 +/ in cubic symmetry sites in MgO has been measured at 9.25GHz. The orientation dependence of the transitions is found to be consistent with a spin Hamiltonian of cubic symmetry with g=2.0037(isotropic), a=0.0205/sup +/-0.00005 cm/sup -1/.

Cubic phase control of ultrashort laser pulses

International Nuclear Information System (INIS)

Mecseki, K.; Erdelyi, M.; Kovacs, A.P.; Szabo, G.

2006-01-01

Complete test of publication follows. The temporal shape of an ultrashort laser pulse may change upon propagating through a linear dispersive medium having a phase shift ψω. The change can be characterized by the Taylor-coefficients of the phase shift which are calculated around the central frequency ω 0 of the pulse. Measurements and independent control of the group delay dispersion (GDD, ψ'(ω 0 )) and the third order dispersion (TOD, ψ'(ω 0 )) are important in several research fields, particularly in the generation of ultrashort laser pulses by chirped pulse amplification (CPA) and pulse shaping for molecular control. The GDD and the TOD of an ideal pulse compressor are equal to the negative of the corresponding dispersion coefficients of the medium. However, in the case of prism-pair and grating-pair compressor is different from the ratio of the coefficients of the medium to be compensated for. Therefore it is necessary to develop so-called cubic compressors that are able to control the TOD of the pulse, yet, do not affect the GDD. In this paper a new cubic compressor setup is investigated theoretically and experimentally, which resembles the set-up proposed by White, however, we control the GDD and the TOD by the position of a birefringent, semi-cylinder crystal place around the focal point of an achromatic lens. For the evaluation of the phase shift introduced by the proposed cubic compressor, a ray tracing program was written. The program allows optimizing the compressor parameters, such as the radius of the crystal, magnification of the lens etc. Calcite was applied because it is a strong birefringent material. Calculations showed that there is a trajectory, along which shifting the crystal the TOD can be tuned independently of the GDD. The value of the TOD changed in a relatively wide range between -3.15 x 10 5 fs 3 and -1.67 x 10 5 fs 3 . Although the defocus also affects the angular dispersion of the pulse leaving the compressor, if does not exceed

Ordered perovskites with cationic vacancies. 3. Ba/sub 2/CeSbsub(4/5)vacantsub(1/5)O/sub 6/, the first representant of a new perovskite variant

Energy Technology Data Exchange (ETDEWEB)

Rauser, G; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1978-11-01

The lemon coloured Ba/sub 2/CeSbsub(4/5)vacantsub(1/5)O/sub 6/ is polymorphic. The HT modification has a cubic face centered (a = 8.53 A) and the TT form a cubic primitive lattice (a = 8.53 A). According to the density measurement there are 4 formula units of Ba/sub 2/CeSbsub(4/5)vacantsub(1/5)O/sub 6/ in the unit cell.

Limit cycles from a cubic reversible system via the third-order averaging method

Directory of Open Access Journals (Sweden)

Linping Peng

2015-04-01

Full Text Available This article concerns the bifurcation of limit cycles from a cubic integrable and non-Hamiltonian system. By using the averaging theory of the first and second orders, we show that under any small cubic homogeneous perturbation, at most two limit cycles bifurcate from the period annulus of the unperturbed system, and this upper bound is sharp. By using the averaging theory of the third order, we show that two is also the maximal number of limit cycles emerging from the period annulus of the unperturbed system.

Lattice vibrations and cubic to tetragonal phase transition in ZrO2

International Nuclear Information System (INIS)

Negita, K.

1989-01-01

On the basis of analyses of phonon modes in ZrO 2 , it is suggested that condensation of a phonon X 2 - at the cubic Brillouin zone boundary X point, (0, 0, 2 π/a), is associated with the cubic to tetragonal phase transition in ZrO 2 . Free energy consideration shows that spontaneous volume and shear strains, e Alg = (e 1 +e 2 +e 3 ) and e Eg = (2e 3 - e 1 - e 2 )/ Λ3, are induced in the tetragonal phase as a result of indirect couplings of the X 2 - mode to homogeneous elastic strains; the tetragonal phase is improper ferroelastic

Cubic-spline interpolation to estimate effects of inbreeding on milk yield in first lactation Holstein cows

Directory of Open Access Journals (Sweden)

Makram J. Geha

2011-01-01

Full Text Available Milk yield records (305d, 2X, actual milk yield of 123,639 registered first lactation Holstein cows were used to compare linear regression (y = β0 + β1X + e ,quadratic regression, (y = β0 + β1X + β2X2 + e cubic regression (y = β0 + β1X + β2X2 + β3X3 + e and fixed factor models, with cubic-spline interpolation models, for estimating the effects of inbreeding on milk yield. Ten animal models, all with herd-year-season of calving as fixed effect, were compared using the Akaike corrected-Information Criterion (AICc. The cubic-spline interpolation model with seven knots had the lowest AICc, whereas for all those labeled as "traditional", AICc was higher than the best model. Results from fitting inbreeding using a cubic-spline with seven knots were compared to results from fitting inbreeding as a linear covariate or as a fixed factor with seven levels. Estimates of inbreeding effects were not significantly different between the cubic-spline model and the fixed factor model, but were significantly different from the linear regression model. Milk yield decreased significantly at inbreeding levels greater than 9%. Variance component estimates were similar for the three models. Ranking of the top 100 sires with daughter records remained unaffected by the model used.

Analytic cubic and quartic force fields using density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Ringholm, Magnus; Gao, Bin; Thorvaldsen, Andreas J.; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Tromsø—The Arctic University of Norway, 9037 Tromsø (Norway); Jonsson, Dan [Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Tromsø—The Arctic University of Norway, 9037 Tromsø (Norway); High Performance Computing Group, University of Tromsø—The Arctic University of Norway, 9037 Tromsø (Norway); Bast, Radovan [Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center, S-10691 Stockholm, Sweden and PDC Center for High Performance Computing, Royal Institute of Technology, S-10044 Stockholm (Sweden); Ekström, Ulf; Helgaker, Trygve [Center for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo (Norway)

2014-01-21

We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy derivatives in an atomic-orbital basis. The implementation relies on the availability of open-ended codes for evaluation of one- and two-electron integrals differentiated with respect to nuclear displacements as well as automatic differentiation of the exchange–correlation kernels. We use generalized second-order vibrational perturbation theory to calculate the fundamental frequencies of methane, ethane, benzene, and aniline, comparing B3LYP, BLYP, and Hartree–Fock results. The Hartree–Fock anharmonic corrections agree well with the B3LYP corrections when calculated at the B3LYP geometry and from B3LYP normal coordinates, suggesting that the inclusion of electron correlation is not essential for the reliable calculation of cubic and quartic force constants.

3D Medical Image Interpolation Based on Parametric Cubic Convolution

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

In the process of display, manipulation and analysis of biomedical image data, they usually need to be converted to data of isotropic discretization through the process of interpolation, while the cubic convolution interpolation is widely used due to its good tradeoff between computational cost and accuracy. In this paper, we present a whole concept for the 3D medical image interpolation based on cubic convolution, and the six methods, with the different sharp control parameter, which are formulated in details. Furthermore, we also give an objective comparison for these methods using data sets with the different slice spacing. Each slice in these data sets is estimated by each interpolation method and compared with the original slice using three measures: mean-squared difference, number of sites of disagreement, and largest difference. According to the experimental results, we present a recommendation for 3D medical images under the different situations in the end.

The phase space of the focused cubic Schroedinger equation: A numerical study

Energy Technology Data Exchange (ETDEWEB)

Burlakov, Yuri O. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

1998-05-01

In a paper of 1988 [41] on statistical mechanics of the nonlinear Schroedinger equation, it was observed that a Gibbs canonical ensemble associated with the nonlinear Schroedinger equation exhibits behavior reminiscent of a phase transition in classical statistical mechanics. The existence of a phase transition in the canonical ensemble of the nonlinear Schroedinger equation would be very interesting and would have important implications for the role of this equation in modeling physical phenomena; it would also have an important bearing on the theory of weak solutions of nonlinear wave equations. The cubic Schroedinger equation, as will be shown later, is equivalent to the self-induction approximation for vortices, which is a widely used equation of motion for a thin vortex filament in classical and superfluid mechanics. The existence of a phase transition in such a system would be very interesting and actually very surprising for the following reasons: in classical fluid mechanics it is believed that the turbulent regime is dominated by strong vortex stretching, while the vortex system described by the cubic Schroedinger equation does not allow for stretching. In superfluid mechanics the self-induction approximation and its modifications have been used to describe the motion of thin superfluid vortices, which exhibit a phase transition; however, more recently some authors concluded that these equations do not adequately describe superfluid turbulence, and the absence of a phase transition in the cubic Schroedinger equation would strengthen their argument. The self-induction approximation for vortices takes into account only very localized interactions, and the existence of a phase transition in such a simplified system would be very unexpected. In this thesis the authors present a numerical study of the phase transition type phenomena observed in [41]; in particular, they find that these phenomena are strongly related to the splitting of the phase space into

Polymer electrolyte fuel cell mini power unit for portable application

Energy Technology Data Exchange (ETDEWEB)

Urbani, F.; Squadrito, G.; Barbera, O.; Giacoppo, G.; Passalacqua, E. [CNR-ITAE, via Salita S. Lucia sopra Contesse n. 5, 98126 S. Lucia, Messina (Italy); Zerbinati, O. [Universita del Piemonte Orientale, Dip. di Scienze dell' Ambiente e della Vita, via Bellini 25/g, 15100 Alessandria (Italy)

2007-06-20

This paper describes the design, realisation and test of a power unit based on a polymer electrolyte fuel cell, operating at room temperature, for portable application. The device is composed of an home made air breathing fuel cell stack, a metal hydride tank for H{sub 2} supply, a dc-dc converter for power output control and a fan for stack cooling. The stack is composed by 10 cells with an active surface of 25 cm{sup 2} and produces a rated power of 15 W at 6 V and 2 A. The stack successfully runs with end-off fed hydrogen without appreciable performance degradation during the time. The final assembled system is able to generate 12 W at 9.5 V, and power a portable DVD player for 3 h in continuous. The power unit has collected about 100 h of operation without maintenance. (author)

Global Well-Posedness for Cubic NLS with Nonlinear Damping

KAUST Repository

Antonelli, Paolo

2010-11-04

We study the Cauchy problem for the cubic nonlinear Schrödinger equation, perturbed by (higher order) dissipative nonlinearities. We prove global in-time existence of solutions for general initial data in the energy space. In particular we treat the energy-critical case of a quintic dissipation in three space dimensions. © Taylor & Francis Group, LLC.

Tangent Lines without Derivatives for Quadratic and Cubic Equations

Science.gov (United States)

Carroll, William J.

2009-01-01

In the quadratic equation, y = ax[superscript 2] + bx + c, the equation y = bx + c is identified as the equation of the line tangent to the parabola at its y-intercept. This is extended to give a convenient method of graphing tangent lines at any point on the graph of a quadratic or a cubic equation. (Contains 5 figures.)

Analysis of RIA standard curve by log-logistic and cubic log-logit models

International Nuclear Information System (INIS)

Yamada, Hideo; Kuroda, Akira; Yatabe, Tami; Inaba, Taeko; Chiba, Kazuo

1981-01-01

In order to improve goodness-of-fit in RIA standard analysis, programs for computing log-logistic and cubic log-logit were written in BASIC using personal computer P-6060 (Olivetti). Iterative least square method of Taylor series was applied for non-linear estimation of logistic and log-logistic. Hear ''log-logistic'' represents Y = (a - d)/(1 + (log(X)/c)sup(b)) + d As weights either 1, 1/var(Y) or 1/σ 2 were used in logistic or log-logistic and either Y 2 (1 - Y) 2 , Y 2 (1 - Y) 2 /var(Y), or Y 2 (1 - Y) 2 /σ 2 were used in quadratic or cubic log-logit. The term var(Y) represents squares of pure error and σ 2 represents estimated variance calculated using a following equation log(σ 2 + 1) = log(A) + J log(y). As indicators for goodness-of-fit, MSL/S sub(e)sup(2), CMD% and WRV (see text) were used. Better regression was obtained in case of alpha-fetoprotein by log-logistic than by logistic. Cortisol standard curve was much better fitted with cubic log-logit than quadratic log-logit. Predicted precision of AFP standard curve was below 5% in log-logistic in stead of 8% in logistic analysis. Predicted precision obtained using cubic log-logit was about five times lower than that with quadratic log-logit. Importance of selecting good models in RIA data processing was stressed in conjunction with intrinsic precision of radioimmunoassay system indicated by predicted precision. (author)

Evaluation of the impact of banking umbilical cord blood units with high cell dose for ethnically diverse patients.

Science.gov (United States)

Stritesky, Gretta; Wadsworth, Kimberly; Duffy, Merry; Buck, Kelly; Dehn, Jason

2018-02-01

Umbilical cord blood units provide an important stem cell source for transplantation, particularly for patients of ethnic diversity who may not have suitably matched available, adult-unrelated donors. However, with the cost of cord blood unit acquisition from public banks significantly higher than that for adult-unrelated donors, attention is focused on decreasing cost yet still providing cord blood units to patients in need. Historical practices of banking units with low total nucleated cell counts, including units with approximately 90 × 10 7 total nucleated cells, indicates that most banked cord blood units have much lower total nucleated cell counts than are required for transplant. The objective of this study was to determine the impact on the ability to identify suitable cord blood units for transplantation if the minimum total nucleated cell count for banking were increased from 90 × 10 7 to 124 or 149 × 10 7 . We analyzed ethnically diverse patients (median age, 3 years) who underwent transplantation of a single cord blood unit in 2005 to 2016. A cord blood unit search was evaluated to identify units with equal or greater human leukocyte antigen matching and a greater total nucleated cell count than that of the transplanted cord blood unit (the replacement cord blood unit). If the minimum total nucleated cell count for banking increased to 124 or 149 × 10 7 , then from 75 to 80% of patients would still have at least 1 replacement cord blood unit in the current (2016) cord blood unit inventory. The best replacement cord blood units were often found among cords with the same ethnic background as the patient. The current data suggest that, if the minimum total nucleated cell count were increased for banking, then it would likely lead to an inventory of more desirable cord blood units while having minimal impact on the identification of suitable cord blood units for transplantation. © 2017 AABB.

Changing the cubic ferrimagnetic domain structure in temperature region of spin flip transition

International Nuclear Information System (INIS)

Djuraev, D.R.; Niyazov, L.N.; Saidov, K.S.; Sokolov, B.Yu.

2011-01-01

The transformation of cubic ferrimagnetic Tb 0.2 Y 2.8 Fe 5 O 12 domain structure has been studied by magneto optic method in the temperature region of spontaneous spin flip phase transition (SPT). It has been found that SPT occurs in a finite temperature interval where the coexistence of low- and high- temperature magnetic phase domains has observed. A character of domain structure evolution in temperature region of spin flip essentially depends on the presence of mechanical stresses in crystal. Interpretation of experimental results has been carried out within the framework of SPT theory for a cubic crystal. (authors)

Efficient Algorithms for gcd and Cubic Residuosity in the Ring of Eisenstein Integers

DEFF Research Database (Denmark)

Damgård, Ivan Bjerre; Frandsen, Gudmund Skovbjerg

2003-01-01

We present simple and efficient algorithms for computing gcd and cubic residuosity in the ring of Eisenstein integers, bf Z[ ]i.e. the integers extended with , a complex primitive third root of unity. The algorithms are similar and may be seen as generalisations of the binary integer gcd and deri......We present simple and efficient algorithms for computing gcd and cubic residuosity in the ring of Eisenstein integers, bf Z[ ]i.e. the integers extended with , a complex primitive third root of unity. The algorithms are similar and may be seen as generalisations of the binary integer gcd...

Synthesis and characterization of gold cubic nanoshells using water-soluble GeO2 templates

Science.gov (United States)

Wang, Cen; Tang, Peisong; Ge, Mingyuan; Xu, Xiaobin; Cao, Feng; Jiang, J. Z.

2011-04-01

Size-tunable GeO2 nanocubes were initially prepared by a modified sono-assisted reverse micelle method and then functionalized with an amino-terminated silanizing agent. Subsequently, gold decorated GeO2 nanocomposites were prepared at pH ≈ 7 and 80 °C. It was found that well-dispersed gold nanoparticles on GeO2 nanocubes could be obtained only if gold salt is abundant to favor simultaneous, homogeneous nucleation of gold particles. Additional gold ions were reduced onto these attached 'seed' particles accompanied by synchronous dissolution of water-soluble GeO2 cores, resulting in gold hollow cubic shells. The GeO2 nanocubes and Au/GeO2 nanocomposites as well as gold hollow cubic shells were characterized by transmission electron microscopy, scanning electron microscopy, x-ray diffraction and UV-visible spectroscopy. In particular, gold hollow cubic shells feature a plasmon resonance peak at above 900 nm, which renders it quite promising in biochemical applications.

Synthesis and characterization of gold cubic nanoshells using water-soluble GeO2 templates

International Nuclear Information System (INIS)

Wang Cen; Ge Mingyuan; Xu Xiaobin; Jiang, J Z; Tang Peisong; Cao Feng

2011-01-01

Size-tunable GeO 2 nanocubes were initially prepared by a modified sono-assisted reverse micelle method and then functionalized with an amino-terminated silanizing agent. Subsequently, gold decorated GeO 2 nanocomposites were prepared at pH ∼ 7 and 80 deg. C. It was found that well-dispersed gold nanoparticles on GeO 2 nanocubes could be obtained only if gold salt is abundant to favor simultaneous, homogeneous nucleation of gold particles. Additional gold ions were reduced onto these attached 'seed' particles accompanied by synchronous dissolution of water-soluble GeO 2 cores, resulting in gold hollow cubic shells. The GeO 2 nanocubes and Au/GeO 2 nanocomposites as well as gold hollow cubic shells were characterized by transmission electron microscopy, scanning electron microscopy, x-ray diffraction and UV-visible spectroscopy. In particular, gold hollow cubic shells feature a plasmon resonance peak at above 900 nm, which renders it quite promising in biochemical applications.

Robust synthesis of gold cubic nanoframes through a combination of galvanic replacement, gold deposition, and silver dealloying.

Science.gov (United States)

Wan, Dehui; Xia, Xiaohu; Wang, Yucai; Xia, Younan

2013-09-23

A facile, robust approach to the synthesis of Au cubic nanoframes is described. The synthesis involves three major steps: 1) preparation of Au-Ag alloyed nanocages using a galvanic replacement reaction between Ag nanocubes and HAuCl4 ; 2) deposition of thin layers of pure Au onto the surfaces of the nanocages by reducing HAuCl4 with ascorbic acid, and; 3) formation of Au cubic nanoframes through a dealloying process with HAuCl4 . The key to the formation of Au cubic nanoframes is to coat the surfaces of the Au-Ag nanocages with sufficiently thick layers of Au before they are dealloyed. The Au layer could prevent the skeleton of a nanocage from being fragmented during the dealloying step. The as-prepared Au cubic nanoframes exhibit tunable localized surface plasmon resonance peaks in the near-infrared region, but with much lower Ag content as compared with the initial Au-Ag nanocages. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Global Sufficient Optimality Conditions for a Special Cubic Minimization Problem

Directory of Open Access Journals (Sweden)

Xiaomei Zhang

2012-01-01

Full Text Available We present some sufficient global optimality conditions for a special cubic minimization problem with box constraints or binary constraints by extending the global subdifferential approach proposed by V. Jeyakumar et al. (2006. The present conditions generalize the results developed in the work of V. Jeyakumar et al. where a quadratic minimization problem with box constraints or binary constraints was considered. In addition, a special diagonal matrix is constructed, which is used to provide a convenient method for justifying the proposed sufficient conditions. Then, the reformulation of the sufficient conditions follows. It is worth noting that this reformulation is also applicable to the quadratic minimization problem with box or binary constraints considered in the works of V. Jeyakumar et al. (2006 and Y. Wang et al. (2010. Finally some examples demonstrate that our optimality conditions can effectively be used for identifying global minimizers of the certain nonconvex cubic minimization problem.

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

Science.gov (United States)

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

2018-05-01

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

Ab initio pseudopotential studies of cubic BC2N under high pressure

International Nuclear Information System (INIS)

Pan Zicheng; Sun Hong; Chen Changfeng

2005-01-01

We present the results of a systematic study of the structural, electronic, and vibrational properties of various cubic BC 2 N phases under high pressure. Ab initio pseudopotential total-energy and phonon calculations have been carried out to examine the changes in the structural parameters, bonding behaviours, band structures, and dynamic instabilities caused by phonon softening in these phases. We find that an experimentally synthesized high-density phase of cubic BC 2 N exhibits outstanding stability in the structural and electronic properties up to very high pressures. On the other hand, another experimentally identified phase with lower density and lower symmetry undergoes a dramatic structural transformation with a volume and bond-length collapse and a concomitant semi-metal to semiconductor transition. A third phase is predicted to be favourable over the above-mentioned lower-density phase by the enthalpy calculations. However, the dynamic phonon calculations reveal that it develops imaginary phonon modes and, therefore, is unstable in the experimental pressure range. The calculations indicate that its synthesis may be achieved at reduced pressures. These results provide a comprehensive understanding for the high-pressure behaviour of the cubic BC 2 N phases and reveal their interesting properties that can be verified by experiments

Structural insights into the cubic-hexagonal phase transition kinetics of monoolein modulated by sucrose solutions.

Science.gov (United States)

Reese, Caleb W; Strango, Zachariah I; Dell, Zachary R; Tristram-Nagle, Stephanie; Harper, Paul E

2015-04-14

Using DSC (differential scanning calorimetry), we measure the kinetics of the cubic-HII phase transition of monoolein in bulk sucrose solutions. We find that the transition temperature is dramatically lowered, with each 1 mol kg(-1) of sucrose concentration dropping the transition by 20 °C. The kinetics of this transition also slow greatly with increasing sucrose concentration. For low sucrose concentrations, the kinetics are asymmetric, with the cooling (HII-cubic) transition taking twice as long as the heating (cubic-HII) transition. This asymmetry in transition times is reduced for higher sucrose concentrations. The cooling transition exhibits Avrami exponents in the range of 2 to 2.5 and the heating transition shows Avrami exponents ranging from 1 to 3. A classical Avrami interpretation would be that these processes occur via a one or two dimensional pathway with variable nucleation rates. A non-classical perspective would suggest that these exponents reflect the time dependence of pore formation (cooling) and destruction (heating). New density measurements of monoolein show that the currently accepted value is about 5% too low; this has substantial implications for electron density modeling. Structural calculations indicate that the head group area and lipid length in the cubic-HII transition shrink by about 12% and 4% respectively; this reduction is practically the same as that seen in a lipid with a very different molecular structure (rac-di-12:0 β-GlcDAG) that makes the same transition. Thermodynamic considerations suggest there is a hydration shell about one water molecule thick in front of the lipid head groups in both the cubic and HII phases.

Performance of cubic-(La,SrTiO3+δ as SOFC anodes

Directory of Open Access Journals (Sweden)

Marrero-López, D.

2007-12-01

Full Text Available The performance and potential application of the cubic members of the La4Srn-4TinO3n+2 series of compounds, i.e. n≥12, prepared by solid state reaction are discussed. Although these phases can be indexed as cubic perovskites by X-ray diffraction (XRD, there exists some oxygen beyond the ABO3 stoichiometry accommodated in linear defects reminiscent to the oxygen rich layers in La2Ti2O7. In the present work, we report preliminary fuel cell tests of the n=12,14 and 16 of the La4Srn-4TinO3n+2 series, which reveal moderate responses under hydrogen, but also some promising results implying activation favouring methane oxidation.En este trabajo se presentan las prestaciones y el potencial uso de las fases cúbicas de la serie homóloga con fórmula La4Srn-4TinO3n+2 (n≥12 preparadas por reacción en el estado sólido. A pesar de que estas fases pueden describirse como perovskitas cúbicas mediante difracción de rayos-X (DRX, existe una cantidad de oxígeno superestequiométrico respecto a la composición ideal de la perovskita ABO3 localizado en defectos lineales análogos a las capas ricas en oxígeno en La2Ti2O7. En el presente trabajo, se muestran ensayos en pilas de combustible realizados en las composiciones n=12,14 and 16 de la serie La4Srn-4TinO3n+2 , donde se muestran respuestas moderadas en hidrógeno, así como una cierta activación que favorece la oxidación del metano.

Elastic properties of cubic perovskite BaRuO{sub 3} from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Han Deming; Liu Xiaojuan; Lv Shuhui; Li Hongping [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian, E-mail: jmeng@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2010-08-01

We present first-principles investigations on the structural and elastic properties of the cubic perovskite BaRuO{sub 3} using density-functional theory within both local density approximation (LDA) and generalized gradient approximation (GGA). Basic physical properties, such as lattice constant, shear modulus, elastic constants (C{sub ij}) are calculated. The calculated energy band structures show that the cubic perovskite BaRuO{sub 3} is metallic. We have also predicted the Young's modulus (Y), Poisson's ratio ({upsilon}), and Anisotropy factor (A).

Characterization of cubic ceria?zirconia powders by X-ray diffraction and vibrational and electronic spectroscopy

Science.gov (United States)

Sánchez Escribano, Vicente; Fernández López, Enrique; Panizza, Marta; Resini, Carlo; Gallardo Amores, José Manuel; Busca, Guido

2003-10-01

The X-ray diffraction (XRD) patterns and the Infrared, Raman and UV-visible spectra of CeO 2ZrO 2 powders prepared by co-precipitation are presented. Raman spectra provide evidence for the largely predominant cubic structure of the powders with CeO 2 molar composition higher than 25%. Also skeletal IR spectra allow to distinguish cubic from tetragonal phases which are instead not easily distinguished on the basis of the XRD patterns. All mixed oxides including pure ceria are strong UV absorbers although also absorb in the violet visible region. By carefully selecting their composition and treatment temperature, the onset of the radiation that they cut off can be chosen in the 425-475 nm interval. Although they are likely metastable, the cubic phases are still pure even after heating at 1173 K for 4 h.

Influence of strontium on the cubic to ordered hexagonal phase

Indian Academy of Sciences (India)

... Refresher Courses · Symposia · Live Streaming. Home; Journals; Bulletin of Materials Science; Volume 23; Issue 6. Influence of strontium on the cubic to ordered hexagonal phase transformation in barium magnesium niobate. M Thirumal A K Ganguli. Phase Transitions Volume 23 Issue 6 December 2000 pp 495-498 ...

Particle Creation in Oscillating Cavities with Cubic and Cylindrical Geometry

Science.gov (United States)

Setare, M. R.; Dinani, H. T.

2008-04-01

In the present paper we study the creation of massless scalar particles from the quantum vacuum due to the dynamical Casimir effect by oscillating cavities with cubic and cylindrical geometry. To the first order of the amplitude we derive the expressions for the number of the created particles.

Electrical properties of cubic InN and GaN epitaxial layers as a function of temperature

International Nuclear Information System (INIS)

Fernandez, J.R.L.; Chitta, V.A.; Abramof, E.

2000-01-01

Carrier concentration and mobility were measured for intrinsic cubic InN and GaN, and for Si-doped cubic GaN as a function of temperature. Metallic n-type conductivity was found for the InN, while background p-type conductivity was observed for the intrinsic GaN layer. Doping the cubic GaN with Si two regimes were observed. For low Si-doping concentrations, the samples remain p-type. Increasing the Si-doping level, the background acceptors are compensated and the samples became highly degenerated n-type. From the carrier concentration dependence on temperature, the activation energy of the donor and acceptor levels was determined. Attempts were made to determine the scattering mechanisms responsible for the behavior of the mobility as a function of temperature

The influence of coordinated defects on inhomogeneous broadening in cubic lattices

Energy Technology Data Exchange (ETDEWEB)

Matheson, P. L., E-mail: phil.matheson@uvu.edu; Sullivan, Francis P.; Evenson, William E. [Utah Valley University, Department of Physics (United States)

2016-12-15

The joint probability distribution function (JPDF) of electric field gradient (EFG) tensor components in cubic materials is dominated by coordinated pairings of defects in shells near probe nuclei. The contributions from these inner shell combinations and their surrounding structures contain the essential physics that determine the PAC-relevant quantities derived from them. The JPDF can be used to predict the nature of inhomogeneous broadening (IHB) in perturbed angular correlation (PAC) experiments by modeling the G{sub 2} spectrum and finding expectation values for V{sub zz} and η. The ease with which this can be done depends upon the representation of the JPDF. Expanding on an earlier work by Czjzek et al. (Hyperfine Interact. 14, 189–194, 1983), Evenson et al. (Hyperfine Interact. 237, 119, 2016) provide a set of coordinates constructed from the EFG tensor invariants they named W{sub 1} and W{sub 2}. Using this parameterization, the JPDF in cubic structures was constructed using a point charge model in which a single trapped defect (TD) is the nearest neighbor to a probe nucleus. Individual defects on nearby lattice sites pair with the TD to provide a locus of points in the W{sub 1}−W{sub 2} plane around which an amorphous-like distribution of probability density grows. Interestingly, however, marginal, separable PDFs appear adequate to model IHB relevant cases. We present cases from simulations in cubic materials illustrating the importance of these near-shell coordinations.

Curvelet-domain multiple matching method combined with cubic B-spline function

Science.gov (United States)

Wang, Tong; Wang, Deli; Tian, Mi; Hu, Bin; Liu, Chengming

2018-05-01

Since the large amount of surface-related multiple existed in the marine data would influence the results of data processing and interpretation seriously, many researchers had attempted to develop effective methods to remove them. The most successful surface-related multiple elimination method was proposed based on data-driven theory. However, the elimination effect was unsatisfactory due to the existence of amplitude and phase errors. Although the subsequent curvelet-domain multiple-primary separation method achieved better results, poor computational efficiency prevented its application. In this paper, we adopt the cubic B-spline function to improve the traditional curvelet multiple matching method. First, select a little number of unknowns as the basis points of the matching coefficient; second, apply the cubic B-spline function on these basis points to reconstruct the matching array; third, build constraint solving equation based on the relationships of predicted multiple, matching coefficients, and actual data; finally, use the BFGS algorithm to iterate and realize the fast-solving sparse constraint of multiple matching algorithm. Moreover, the soft-threshold method is used to make the method perform better. With the cubic B-spline function, the differences between predicted multiple and original data diminish, which results in less processing time to obtain optimal solutions and fewer iterative loops in the solving procedure based on the L1 norm constraint. The applications to synthetic and field-derived data both validate the practicability and validity of the method.

Possible significance of cubic water-ice, H2O-Ic, in the atmospheric water cycle of Mars

Science.gov (United States)

Gooding, James L.

1988-01-01

The possible formation and potential significance of the cubic ice polymorph on Mars is discussed. When water-ice crystallizes on Earth, the ambient conditions of temperature and pressure result in the formation of the hexagonal ice polymorph; however, on Mars, the much lower termperature and pressures may permit the crystallization of the cubic polymorph. Cubic ice has two properties of possible importance on Mars: it is an excellant nucleator of other volatiles (such as CO2), and it undergoes an exothermic transition to hexagonal ice at temperatures above 170 K. These properties may have significant implications for both martian cloud formation and the development of the seasonal polar caps.

Orientational anharmonicity of interatomic interaction in cubic monocrystals

International Nuclear Information System (INIS)

Belomestnykh, Vladimir N.; Tesleva, Elena P.

2010-01-01

Anharmonicity of interatomic interaction from a position of physical acoustics under the standard conditions is investigated. It is shown that the measure of anharmonicity of interatomic interaction (Grilneisen parameter) is explicitly expressed through velocities of sound. Calculation results of orientation anharmonicity are shown on the example of 116 cubic monocrystals with different lattice structural type and type of chemical bond. Two types of anharmonicity interatomic interaction anisotropy are determined. Keywords: acoustics, orientational anharmonicity, Gruneisen parameter, velocity of sound

Kinetics and mechanism of transitions involving the lamellar, cubic, inverted hexagonal, and fluid isotropic phases of hydrated monoacylglycerides monitored by time-resolved X-ray diffraction

International Nuclear Information System (INIS)

Caffrey, M.

1987-01-01

A study of the dynamics and mechanism of the various thermotropic phase transitions undergone by the hydrated monoacylglycerides monoolein and monoelaidin, in the temperature range of 20-120 0 C and from 0 to 5 M NaCl, has been undertaken. Measurements were made by using time-resolved X-ray diffraction at the Cornell High-Energy Synchrotron Source. The lamellar chain order/disorder, lamellar/cubic (body centered, space group No.8), cubic (body centered, No.8)/cubic (primitive No.4), cubic (body centered, No.12)/cubic (primitive, No.4), cubic (primitive, No.4)/fluid isotropic, cubic (body centered, No.12)/inverted hexagonal, cubic (primitive, No.4)/inverted hexagonal, and hexagonal/fluid isotropic transitions were examined under active heating and passive cooling by using a jump in temperature to effect phase transformation. All of the transitions with the exception of the cubic (body centered, No.8)/cubic (primitive, No.4) and the cubic (body centered, No.12)/cubic (primitive, No.4) cooling transitions were found (1) to be repeatable, (2) to be reversible, and (3) to have an upper bound on the transit time (time required to complete the transition) of ≤ 3s. In addition to the time-resolved measurements, data were obtained on the stability of the various phases in the temperature range of 20-120 0 C and from 0 to 5 M NaCl. In the case of fully hydrated monoolein, high salt strongly favors the hexagonal over the cubic (body centered, No.8) phase and slightly elevates the hexagonal/fluid isotropic transition temperature. With fully hydrated monoelaidin, the hexagonal phase which is not observed in the absence of salt becomes the dominant phase at high salt concentration

Modulation of the androgenetic response in diverse skin cell types: the pilosebaceous unit

International Nuclear Information System (INIS)

Zurvarra, F.; Kerner, N.; Hagelin, K.

2009-01-01

Androgens play a central role in diverse morphogenetic processes of the skin. Hair growth and follicular cycle are regulated in part by androgens. Androgens also play a key function, together with other receptors such as the PPARs receptors family, on the proliferation and differentiation of the sebaceous gland that forms part of the pilosebaceous unit and influences hair growth and skin well-being. UV radiation may affect androgens regulation of skin homeostasis. Objectives: to study the modulation of androgenetic response related to UV radiation on the pilosebaceous unit, in two skin conditions: androgenetic alopecia and acne, both affecting skin and constituting major concerns for affected individuals. Methods: primary cultures of cells and established cell lines from the pilosebaceous unit: dermal papillae cells, keratinocytes and sebocytes. Analysis of lipid content, inflammatory response and proliferation of cells under the influence of androgens, PPARs ligands and UVR. Results: sebocytes primary cultures were obtained from human sebaceous glands. Proliferation and differentiation, as well as the expression of proinflammatory molecules (IL-1, TNF alpha, iNOs) and lipogenic enzymes (FASN) under androgens and UV treatment were assessed. The response to androgens under UV exposure was also analyzed in dermal papillae cells in culture. (authors)

Multi-Attribute Decision-Making Based on Bonferroni Mean Operators under Cubic Intuitionistic Fuzzy Set Environment

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Gagandeep Kaur

2018-01-01

Full Text Available Cubic intuitionistic fuzzy (CIF set is the hybrid set which can contain much more information to express an interval-valued intuitionistic fuzzy set and an intuitionistic fuzzy set simultaneously for handling the uncertainties in the data. Unfortunately, there has been no research on the aggregation operators on CIF sets so far. Since an aggregation operator is an important mathematical tool in decision-making problems, the present paper proposes some new Bonferroni mean and weighted Bonferroni mean averaging operators between the cubic intuitionistic fuzzy numbers for aggregating the different preferences of the decision-maker. Then, we develop a decision-making method based on the proposed operators under the cubic intuitionistic fuzzy environment and illustrated with a numerical example. Finally, a comparison analysis between the proposed and the existing approaches have been performed to illustrate the applicability and feasibility of the developed decision-making method.

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.

In vivo studies of the long-term 51Cr red cell survival of serologically incompatible red cell units

International Nuclear Information System (INIS)

Baldwin, M.L.; Ness, P.M.; Barrasso, C.; Kickler, T.S.; Drew, H.; Tsan, M.F.; Shirey, R.S.

1985-01-01

The long-term survival of serologically incompatible red cell units was measured in five patients with antibodies to high-frequency antigens. Initially, the survival of 1 ml of 51 Cr-labeled incompatible red cells was measured over 1 hour. After demonstrating that the 1-hour survival times were successful (greater than 70%), each patient then received 5 ml of the same 51 Cr-labeled red cells followed by the transfusion of the remainder of the red cell unit. The long-term T 1/2Cr survival for each case was patient 1 (anti-McCa), 15 days; patient 2 (anti-JMH), 12 days; patient 3 (anti-Kna), 31 days; patient 4 (anti-McCa), 12 days; and patient 5 (anti-Hya), 14 days. Each antibody tested in an in vitro homologous macrophage assay showed less than 5 percent phagocytosis. Anti-JMH was the only antibody to react with IgG subclass antisera and was determined to be IgG4. The macrophage assay, IgG subclass testing, and short-term (1 hour, 1 ml) 51 Cr survival studies all indicated that the short-term survival was good. However, only the measurement of long-term survival with transfused units of serologically incompatible red cells was able to determine the actual survival, and clinical significance of the alloantibodies. Determining the actual long-term survival by the method described here can be of importance for patients requiring chronic red cell transfusion

X-Ray Elastic Constants for Cubic Materials

Energy Technology Data Exchange (ETDEWEB)

Malen, K.

1974-10-15

The stress-strain relation to be used in X-ray stress measurements in anisotropic texture-free media is studied. The method for evaluation of appropriate elastic constants for a cubic medium is described. Some illustrative numerical examples have been worked out including line broadening due to elastic anisotropy. The elastic stress and strain compatibility at grain boundaries is taken into account using Kroner's method. These elastic constants obviously only apply when no internal stresses due to plastic deformation are present. The case of reorientation of free interstitials in the stress field can be taken into account

X-Ray Elastic Constants for Cubic Materials

International Nuclear Information System (INIS)

Malen, K.

1974-10-01

The stress-strain relation to be used in X-ray stress measurements in anisotropic texture-free media is studied. The method for evaluation of appropriate elastic constants for a cubic medium is described. Some illustrative numerical examples have been worked out including line broadening due to elastic anisotropy. The elastic stress and strain compatibility at grain boundaries is taken into account using Kroner's method. These elastic constants obviously only apply when no internal stresses due to plastic deformation are present. The case of reorientation of free interstitials in the stress field can be taken into account

X-Ray Elastic Constants for Cubic Materials

Energy Technology Data Exchange (ETDEWEB)

Malen, K

1974-10-15

The stress-strain relation to be used in X-ray stress measurements in anisotropic texture-free media is studied. The method for evaluation of appropriate elastic constants for a cubic medium is described. Some illustrative numerical examples have been worked out including line broadening due to elastic anisotropy. The elastic stress and strain compatibility at grain boundaries is taken into account using Kroner's method. These elastic constants obviously only apply when no internal stresses due to plastic deformation are present. The case of reorientation of free interstitials in the stress field can be taken into account

Relationship between unit cell type and porosity and the fatigue behavior of selective laser melted meta-biomaterials.

Science.gov (United States)

Amin Yavari, S; Ahmadi, S M; Wauthle, R; Pouran, B; Schrooten, J; Weinans, H; Zadpoor, A A

2015-03-01

Meta-materials are structures when their small-scale properties are considered, but behave as materials when their homogenized macroscopic properties are studied. There is an intimate relationship between the design of the small-scale structure and the homogenized properties of such materials. In this article, we studied that relationship for meta-biomaterials that are aimed for biomedical applications, otherwise known as meta-biomaterials. Selective laser melted porous titanium (Ti6Al4V ELI) structures were manufactured based on three different types of repeating unit cells, namely cube, diamond, and truncated cuboctahedron, and with different porosities. The morphological features, static mechanical properties, and fatigue behavior of the porous biomaterials were studied with a focus on their fatigue behavior. It was observed that, in addition to static mechanical properties, the fatigue properties of the porous biomaterials are highly dependent on the type of unit cell as well as on porosity. None of the porous structures based on the cube unit cell failed after 10(6) loading cycles even when the applied stress reached 80% of their yield strengths. For both other unit cells, higher porosities resulted in shorter fatigue lives for the same level of applied stress. When normalized with respect to their yield stresses, the S-N data points of structures with different porosities very well (R(2)>0.8) conformed to one single power law specific to the type of the unit cell. For the same level of normalized applied stress, the truncated cuboctahedron unit cell resulted in a longer fatigue life as compared to the diamond unit cell. In a similar comparison, the fatigue lives of the porous structures based on both truncated cuboctahedron and diamond unit cells were longer than that of the porous structures based on the rhombic dodecahedron unit cell (determined in a previous study). The data presented in this study could serve as a basis for design of porous biomaterials

Surface relaxation and surface energy of face –centered Cubic ...

African Journals Online (AJOL)

DR. MIKE HORSFALL

Surface relaxation and surface energy of face –centered Cubic metals. 1AGHEMENLO H E; *2IYAYI, S E; 3AVWIRI ,G O. 1, 3 Department of Physics, Ambrose Alli University, Ekpoma, Nigeria. 2 Department of Physics, University of Benin, Benin City, Nigeria. 3 Department of Physics, University of Port Harcourt, PH, Nigeria.

Nonsymmorphic cubic Dirac point and crossed nodal rings across the ferroelectric phase transition in LiOsO3

Science.gov (United States)

Yu, Wing Chi; Zhou, Xiaoting; Chuang, Feng-Chuan; Yang, Shengyuan A.; Lin, Hsin; Bansil, Arun

2018-05-01

Crystalline symmetries can generate exotic band-crossing features, which can lead to unconventional fermionic excitations with interesting physical properties. We show how a cubic Dirac point—a fourfold-degenerate band-crossing point with cubic dispersion in a plane and a linear dispersion in the third direction—can be stabilized through the presence of a nonsymmorphic glide mirror symmetry in the space group of the crystal. Notably, the cubic Dirac point in our case appears on a threefold axis, even though it has been believed previously that such a point can only appear on a sixfold axis. We show that a cubic Dirac point involving a threefold axis can be realized close to the Fermi level in the nonferroelectric phase of LiOsO3. Upon lowering temperature, LiOsO3 has been shown experimentally to undergo a structural phase transition from the nonferroelectric phase to the ferroelectric phase with spontaneously broken inversion symmetry. Remarkably, we find that the broken symmetry transforms the cubic Dirac point into three mutually crossed nodal rings. There also exist several linear Dirac points in the low-energy band structure of LiOsO3, each of which is transformed into a single nodal ring across the phase transition.

Synthesis and Optical Properties of Cubic Gold Nanoframes

OpenAIRE

Au, Leslie; Chen, Yeechi; Zhou, Fei; Camargo, Pedro H. C.; Lim, Byungkwon; Li, Zhi-Yuan; Ginger, David S.; Xia, Younan

2008-01-01

This paper describes a facile method of preparing cubic Au nanoframes with open structures via the galvanic replacement reaction between Ag nanocubes and AuCl2−. A mechanistic study of the reaction revealed that the formation of Au nanoframes relies on the diffusion of both Au and Ag atoms. The effect of the edge length and ridge thickness of the nanoframes on the localized surface plasmon resonance peak was explored by a combination of discrete dipole approximation calculations and single na...

Effect of electrostatic interactions on phase stability of cubic phases of biomembranes.

Science.gov (United States)

Li, Shu Jie; Masum, Shah Md; Yamashita, Yuko; Tamba, Yukihiro; Yamazaki, Masahito

2002-06-01

We investigated effect of electrostatic interactions due to surfacecharges on structures and stability of cubic phases of monoolein (MO)membrane using the small-angle X-ray scattering method. Firstly, wechanged the surface charge density of the membrane by usingdioleoylphosphatidic acid (DOPA). As increasing DOPA concentration in themembrane at 30 wt % lipid concentration, a Q(224) to Q(229) phasetransition occurred at 0.6 mol % DOPA, and at and above 25 mol %, DOPA/MOmembranes were in the L(α) phase. NaCl in the bulk phase reduced theeffect of DOPA. These results indicate that as the electrostaticinteractions increase, the most stable phase changes as follows: Q(224)⇒ Q(229) ⇒ L(α). The increase in DOPAconcentration reduced the absolute value of spontaneous curvature of themembrane, | H(0) |. Secondly, we changed the surface charge of themembrane by adding a de novo designed peptide, which has netpositive charges and a binding site on the electrically neutral membraneinterface. The peptide-1 (WLFLLKKK) induced a Q(224) to Q(229)phase transition in the MO membrane at low peptide concentration. As NaClconcentration increases, the MO/peptide-1 membrane changed from Q(229)to Q(224) phase. The increase in peptide-1 concentration reduced |H(0) |. Based on these results, the stability of the cubic phases and themechanism of phase transition between cubic phase and L(α) phase arediscussed.

Closure Report for Corrective Action Unit 110: Areas 3 RWMS U-3ax/bl Disposal Unit, Nevada Test Site, Nevada

Energy Technology Data Exchange (ETDEWEB)

J. L. Smith

2001-08-01

This Closure Report (CR) has been prepared for the Area 3 Radioactive Waste Management Site (RWMS) U-3ax/bl Disposal Unit Corrective Action Unit (CAU) 110 in accordance with the reissued (November 2000) Resource Conservation and Recovery Act (RCRA) Part B operational permit NEV HW009 (Nevada Division of Environmental Protection [NDEP], 2000) and the Federal Facility and Consent Order (FFACO) (NDEP et al., 1996). CAU 110 consists of one Corrective Action Site 03-23-04, described as the U-3ax/bl Subsidence Crater. Certifications of closure are located in Appendix A. The U-3ax/bl is a historic disposal unit within the Area 3 RWMS located on the Nevada Test Site (NTS). The unit, which was formed by excavating the area between two subsidence craters (U-3ax and U-3bl), was operationally closed in 1987. The U-3ax/bl disposal unit was closed under the RCRA, as a hazardous waste landfill. Existing records indicate that, from July 1968 to December 1987, U-3ax/bl received 2.3 x 10{sup 5} cubic meters (m{sup 3}) (8.12 x 10{sup 6} cubic feet [ft{sup 3}]) of waste. NTS atmospheric nuclear device testing generated approximately 95% of the total waste volume disposed of in U-3ax/bl; 80% of the total volume was generated from the Waste Consolidation Project. Area 3 is located in Yucca Flat, within the northeast quadrant of the NTS. The Yucca Flat watershed is a structurally closed basin encompassing an area of approximately 780 square kilometers (300 square miles). The structural geomorphology of Yucca Flat is typical of the Basin and Range Physiographic Province. Yucca Flat lies in one of the most arid regions of the country. Water balance calculations for Area 3 indicate that it is normally in a state of moisture deficit.

Pharmacokinetics and enhanced oral bioavailability in beagle dogs of cyclosporine A encapsulated in glyceryl monooleate/poloxamer 407 cubic nanoparticles

Directory of Open Access Journals (Sweden)

Jie Lai

2009-12-01

Full Text Available Jie Lai1,2, Yi Lu1, Zongning Yin2, Fuqiang Hu3, Wei Wu11School of Pharmacy, Fudan University, Shanghai, China, 2West China School of Pharmacy, Sichuan University, Chengdu, China, 3School of Pharmacy, Zhejiang University, Hangzhou, ChinaAbstract: Efforts to improve the oral bioavailability of cyclosporine A (CyA remains a challenge in the field of drug delivery. In this study, glyceryl monooleate (GMO/poloxamer 407 cubic nanoparticles were evaluated as potential vehicles to improve the oral bioavailability of CyA. Cubic nanoparticles were prepared via the fragmentation of a bulk GMO/poloxamer 407 cubic phase gel by sonication and homogenization. The cubic inner structure formed was verified using Cryo-TEM. The mean diameters of the nanoparticles were about 180 nm, and the entrapment efficiency of these particles for CyA was over 85%. The in vitro release of CyA from these nanoparticles was less than 5% at 12 h. The results of a pharmacokinetic study in beagle dogs showed improved absorption of CyA from cubic nanoparticles as compared to microemulsion-based Neoral®; higher Cmax (1371.18 ± 37.34 vs 969.68 ± 176.3 ng mL-1, higher AUC0–t (7757.21 ± 1093.64 vs 4739.52 ± 806.30 ng h mL-1 and AUC0–∞ (9004.77 ± 1090.38 vs 5462.31 ± 930.76 ng h mL-1. The relative oral bioavailability of CyA cubic nanoparticles calculated on the basis of AUC0–∞ was about 178% as compared to Neoral®. The enhanced bioavailability of CyA is likely due to facilitated absorption by cubic nanoparticles rather than improved release.Keywords: nanoparticles, cubosomes, cyclosporine A, glyceryl monooleate, oral drug delivery, bioavailability, beagle dogs

Radiation response of cubic mesoporous silicate and borosilicate thin films

Science.gov (United States)

Manzini, Ayelén; Alurralde, Martín; Luca, Vittorio

2018-01-01

The radiation response has been studied of cubic mesoporous silicate and borosilicate thin films having different boron contents prepared using the block copolymer template Brij 58 and the dip coating technique. The degree of pore ordering of the films was analysed using low-angle X-ray diffraction and film thickness measured by X-ray reflectivity. For films calcined at 350 °C, the incorporation of boron resulted in a reproducible oscillatory variation in the d-spacing and intensity of the primary reflection as a function of boron content. A clear peak was observed in the d-spacing at 5-10 mol% boron incorporation. For borosilicate films of a given composition an overall suppression of d-spacing was observed as a function of aging time relative to films that did not contain boron. This was ascribed to a slow condensation process. The films were irradiated in pile with neutrons and with iodine ions at energies of 180 keV and 70 MeV. Neutron irradiation of the silicate thin films for periods up to 30 days and aged for 400 days resulted in little reduction in either d-spacing or intensity of the primary low-angle X-ray reflection indicating that the films retained their mesopore ordering. In contrast borosilicate films for which the B (n, α) reaction was expected to result in enhanced displacement damage showed much larger variations in X-ray parameters. For these films short irradiation times resulted in a reduction of the d-spacing and intensity of the primary reflections considerably beyond that observed through aging. It is concluded that prolonged neutron irradiation and internal α irradiation have only a small, although measurable, impact on mesoporous borosilicate thin films increasing the degree of condensation and increasing unit cell contraction. When these borosilicate films were irradiated with iodine ions, more profound changes occurred. The pore ordering of the films was significantly degraded when low energy ions were used. In some cases the degree

Dielectric Behavior of Low Microwave Loss Unit Cell for All Dielectric Metamaterial

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Tianhuan Luo

2015-01-01

Full Text Available With a deep study of the metamaterial, its unit cells have been widely extended from metals to dielectrics. The dielectric based unit cells attract much attention because of the advantage of easy preparation, tunability, and higher frequency response, and so forth. Using the conventional solid state method, we prepared a kind of incipient ferroelectrics (calcium titanate, CaTiO3 with higher microwave permittivity and lower loss, which can be successfully used to construct metamaterials. The temperature and frequency dependence of dielectric constant are also measured under different sintering temperatures. The dielectric spectra showed a slight permittivity decrease with the increase of temperature and exhibited a loss of 0.0005, combined with a higher microwave dielectric constant of ~167 and quality factor Q of 2049. Therefore, CaTiO3 is a kind of versatile and potential metamaterial unit cell. The permittivity of CaTiO3 at higher microwave frequency was also examined in the rectangular waveguide and we got the permittivity of 165, creating a new method to test permittivity at higher microwave frequency.

Self-oriented Ag-based polycrystalline cubic nanostructures through polymer stabilization

Science.gov (United States)

Alonso, Amanda; Vigués, Núria; Rodríguez-Rodríguez, Rosalía; Borrisé, Xavier; Muñoz, María; Muraviev, Dmitri N.; Mas, Jordi; Muñoz-Berbel, Xavier

2016-10-01

This paper presents the study of the dynamics of the formation of polymer-assisted highly-orientated polycrystalline cubic structures (CS) by a fractal-mediated mechanism. This mechanism involves the formation of seed Ag@Co nanoparticles by InterMatrix Synthesis and subsequent overgrowth after incubation at a low temperature in chloride and phosphate solutions. These ions promote the dissolution and recrystallization in an ordered configuration of pre-synthetized nanoparticles initially embedded in negatively-charged polymeric matrices. During recrystallization, silver ions aggregate in AgCl@Co fractal-like structures, then evolve into regular polycrystalline solid nanostructures (e.g. CS) in a single crystallization step on specific regions of the ion exchange resin (IER) which maintain the integrity of polycrystalline nanocubes. Here, we study the essential role of the IER in the formation of these CS for the maintenance of their integrity and stability. Thus, this synthesis protocol may be easily expanded to the composition of other nanoparticles providing an interesting, cheap and simple alternative for cubic structure formation and isolation.

Synthesis and characterization of gold cubic nanoshells using water-soluble GeO{sub 2} templates

Energy Technology Data Exchange (ETDEWEB)

Wang Cen; Ge Mingyuan; Xu Xiaobin; Jiang, J Z [International Center for New-Structured Materials, Zhejiang University, Hangzhou 310027 (China); Tang Peisong; Cao Feng, E-mail: jiangjz@zju.edu.cn [Department of Chemistry, Huzhou Teachers College, Huzhou 313000 (China)

2011-04-15

Size-tunable GeO{sub 2} nanocubes were initially prepared by a modified sono-assisted reverse micelle method and then functionalized with an amino-terminated silanizing agent. Subsequently, gold decorated GeO{sub 2} nanocomposites were prepared at pH {approx} 7 and 80 deg. C. It was found that well-dispersed gold nanoparticles on GeO{sub 2} nanocubes could be obtained only if gold salt is abundant to favor simultaneous, homogeneous nucleation of gold particles. Additional gold ions were reduced onto these attached 'seed' particles accompanied by synchronous dissolution of water-soluble GeO{sub 2} cores, resulting in gold hollow cubic shells. The GeO{sub 2} nanocubes and Au/GeO{sub 2} nanocomposites as well as gold hollow cubic shells were characterized by transmission electron microscopy, scanning electron microscopy, x-ray diffraction and UV-visible spectroscopy. In particular, gold hollow cubic shells feature a plasmon resonance peak at above 900 nm, which renders it quite promising in biochemical applications.

Light scattering by cubical particle in the WKB approximation

Directory of Open Access Journals (Sweden)

redouane lamsoudi

2017-11-01

Full Text Available In this work, we determined the analytical expressions of the form factor of a cubical particle in the WKB approximation. We adapted some variables (size parameter, refractive index, the scattering angle and found the form factor in the approximation of Rayleigh-Gans-Debye (RGD, Anomalous Diffraction (AD, and determined the efficiency factor of the extinction. Finally, to illustrate our formalism, we analyzed some numerical examples

AdS5/CFT4 four-point functions of chiral primary operators: Cubic vertices

International Nuclear Information System (INIS)

Lee, Sangmin

1999-01-01

We study the exchange diagrams in the computation of four-point functions of all chiral primary operators in D=4, N=4 super Yang-Mills using AdS/CFT correspondence. We identify all supergravity fields that can be exchanged and compute the cubic couplings. As a byproduct, we also rederive the normalization of the quadratic action of the exchanged fields. The cubic couplings computed in this paper and the propagators studied extensively in the literature can be used to compute almost all the exchange diagrams explicitly. Some issues in computing the complete four-point function in the 'massless sector' are discussed

Language pathway tracking: comparing nTMS-based DTI fiber tracking with a cubic ROIs-based protocol.

Science.gov (United States)

Negwer, Chiara; Sollmann, Nico; Ille, Sebastian; Hauck, Theresa; Maurer, Stefanie; Kirschke, Jan S; Ringel, Florian; Meyer, Bernhard; Krieg, Sandro M

2017-03-01

OBJECTIVE Diffusion tensor imaging (DTI) fiber tracking (FT) has been widely used in glioma surgery in recent years. It can provide helpful information about subcortical structures, especially in patients with eloquent space-occupying lesions. This study compared the newly developed navigated transcranial magnetic stimulation (nTMS)-based DTI FT of language pathways with the most reproducible protocol for language pathway tractography, using cubic regions of interest (ROIs) for the arcuate fascicle. METHODS Thirty-seven patients with left-sided perisylvian lesions underwent language mapping by repetitive nTMS. DTI FT was performed using the cubic ROIs-based protocol and the authors' nTMS-based DTI FT approach. The same minimal fiber length and fractional anisotropy were chosen (50 mm and 0.2, respectively). Both protocols were performed with standard clinical tractography software. RESULTS Both methods visualized language-related fiber tracts (i.e., corticonuclear tract, arcuate fascicle, uncinate fascicle, superior longitudinal fascicle, inferior longitudinal fascicle, arcuate fibers, commissural fibers, corticothalamic fibers, and frontooccipital fascicle) in all 37 patients. Using the cubic ROIs-based protocol, 39.9% of these language-related fiber tracts were detected in the examined patients, as opposed to 76.0% when performing nTMS-based DTI FT. For specifically tracking the arcuate fascicle, however, the cubic ROIs-based approach showed better results (97.3% vs 75.7% with nTMS-based DTI FT). CONCLUSIONS The cubic ROIs-based protocol was designed for arcuate fascicle tractography, and this study shows that it is still useful for this intention. However, superior results were obtained using the nTMS-based DTI FT for visualization of other language-related fiber tracts.

Study on effect of cubic- and tetragonal phased BaTiO{sub 3} on the electrical and thermal properties of polymeric nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Thanki, A.A.; Goyal, R.K., E-mail: rkgoyal72@yahoo.co.in

2016-11-01

Polymer matrix nanocomposites based on polycarbonate (PC) and nanosized-cubic/tetragonal phases of barium titanate (BaTiO{sub 3}) were fabricated using a solution method followed by hot pressing. The content of both cubic- and tetragonal phased BaTiO{sub 3} was varied from 0 to 50 wt%. For a given weight fraction, the dielectric constant of the nanocomposites containing tetragonal BaTiO{sub 3} is more than those of cubic BaTiO{sub 3} filled nanocomposites. Moreover, cubic BaTiO{sub 3}/PC nanocomposites showed significantly lower dissipation factor than those of tetragonal BaTiO{sub 3}/PC nanocomposites. The dielectric constant of the nanocomposites was found to be frequency-independent. The microhardness of the nanocomposites increased with increase in the BaTiO{sub 3} content (both cubic- and tetragonal-phased) compared to the pure matrix. Scanning electron microscopy showed better dispersion and good interaction of the tetragonal BaTiO{sub 3} nanoparticles in the matrix. The addition of cubic BaTiO{sub 3} nanoparticles significantly reduced the thermal stability of the nanocomposites compared to matrix while the addition of tetragonal BaTiO{sub 3} nanoparticles decreased it slightly. The glass transition temperature of the cubic BaTiO{sub 3}/PC nanocomposites decreased significantly, whereas it reduced slightly for the tetragonal BaTiO{sub 3}/PC nanocomposites. - Highlights: • The effect of cubic-BaTiO{sub 3} and tetragonal-BaTiO{sub 3} nanoparticles were studied. • Cubic-BaTiO{sub 3} nanoparticles showed better microhardness. • Tetragonal-BaTiO{sub 3} nanoparticles showed better dielectric and thermal properties. • Frequency independent dielectric constants of the nanocomposites were observed.

Interplay of uniaxial and cubic anisotropy in epitaxial Fe thin films on MgO (001 substrate

Directory of Open Access Journals (Sweden)

Srijani Mallik

2014-09-01

Full Text Available Epitaxial Fe thin films were grown on annealed MgO(001 substrates at oblique incidence by DC magnetron sputtering. Due to the oblique growth configuration, uniaxial anisotropy was found to be superimposed on the expected four-fold cubic anisotropy. A detailed study of in-plane magnetic hysteresis for Fe on MgO thin films has been performed by Magneto Optic Kerr Effect (MOKE magnetometer. Both single step and double step loops have been observed depending on the angle between the applied field and easy axis i.e. along ⟨100⟩ direction. Domain images during magnetization reversal were captured by Kerr microscope. Domain images clearly evidence two successive and separate 90° domain wall (DW nucleation and motion along cubic easy cum uniaxial easy axis and cubic easy cum uniaxial hard axis, respectively. However, along cubic hard axis two 180° domain wall motion dominate the magnetization reversal process. In spite of having four-fold anisotropy it is essential to explain magnetization reversal mechanism in 0°< ϕ < 90° span as uniaxial anisotropy plays a major role in this system. Also it is shown that substrate rotation can suppress the effect of uniaxial anisotropy superimposed on four-fold anisotropy.

TRICE - A program for reconstructing 3D reciprocal space and determining unit-cell parameters

International Nuclear Information System (INIS)

Zou Xiaodong; Hovmoeller, Anders; Hovmoeller, Sven

2004-01-01

A program system-Trice-for reconstructing the 3D reciprocal lattice from an electron diffraction tilt series is described. The unit-cell parameters can be determined from electron diffraction patterns directly by Trice. The unit cell can be checked and the lattice type and crystal system can be determined from the 3D reciprocal lattice. Trice can be applied to all crystal systems and lattice types

Study on the formation of cubic texture in Ni-7 at.% W alloy substrates by powder metallurgy routes

DEFF Research Database (Denmark)

Zhao, Yue; Suo, HongLi; Zhu, YongHua

2009-01-01

One of the main challenges for coated conductor applications is to produce sharp cubic textured alloy substrates with high strength and low magnetism. In this work, the cubic textured Ni–7 at.% W substrates were prepared from different powder metallurgy ingots by rolling-assisted biaxially textured...... substrate processing. The fabrication processes of cubic texture in the Ni–7 at.% W tapes by two powder metallurgy routes are described in detail. Through the optimized process, full width at half maximum values of 6.7° and 5.0° were obtained, as estimated by X-ray (1 1 1) phi scan and (2 0 0) rocking curve...

Qualitative analysis on a cubic predator-prey system with diffusion

Directory of Open Access Journals (Sweden)

Qunyi Bie

2011-04-01

Full Text Available In this paper, we study a cubic predator-prey model with diffusion. We first establish the global stability of the trivial and nontrivial constant steady states for the reaction diffusion system, and then prove the existence and non-existence results concerning non-constant positive stationary solutions by using topological argument and the energy method, respectively.

Temperature dependence of critical resolved shear stress for cubic metals

International Nuclear Information System (INIS)

Rashid, H.; Fazal-e-Aleem; Ali, M.

1996-01-01

The experimental measurements for critical resolved shear stress of various BCC and FCC metals have been explained by using Radiation Model. The temperature dependence of CRSS for different cubic metals is found to the first approximation, to upon the type of the crystal. A good agreement between experimental observations and predictions of the Radiation Model is found. (author)

Utilization of transmission probabilities in the calculation of unit-cell by the interface-current method

International Nuclear Information System (INIS)

Queiroz Bogado Leite, S. de.

1989-10-01

A widely used but otherwise physically incorrect assumption in unit-cell calculations by the method of interface currents in cylindrical or spherical geometries, is that of that of isotropic fluxes at the surfaces of the cell annular regions, when computing transmission probabilities. In this work, new interface-current relations are developed without making use of this assumption and the effects on calculated integral parameters are shown for an idealized unit-cell example. (author) [pt

Multi-dimensional cubic interpolation for ICF hydrodynamics simulation

International Nuclear Information System (INIS)

Aoki, Takayuki; Yabe, Takashi.

1991-04-01

A new interpolation method is proposed to solve the multi-dimensional hyperbolic equations which appear in describing the hydrodynamics of inertial confinement fusion (ICF) implosion. The advection phase of the cubic-interpolated pseudo-particle (CIP) is greatly improved, by assuming the continuities of the second and the third spatial derivatives in addition to the physical value and the first derivative. These derivatives are derived from the given physical equation. In order to evaluate the new method, Zalesak's example is tested, and we obtain successfully good results. (author)

Computer programs for unit-cell determination in electron diffraction experiments

International Nuclear Information System (INIS)

Li, X.Z.

2005-01-01

A set of computer programs for unit-cell determination from an electron diffraction tilt series and pattern indexing has been developed on the basis of several well-established algorithms. In this approach, a reduced direct primitive cell is first determined from experimental data, in the means time, the measurement errors of the tilt angles are checked and minimized. The derived primitive cell is then checked for possible higher lattice symmetry and transformed into a proper conventional cell. Finally a least-squares refinement procedure is adopted to generate optimum lattice parameters on the basis of the lengths of basic reflections in each diffraction pattern and the indices of these reflections. Examples are given to show the usage of the programs

Bistable Helmholtz solitons in cubic-quintic materials

International Nuclear Information System (INIS)

Christian, J. M.; McDonald, G. S.; Chamorro-Posada, P.

2007-01-01

We propose a nonlinear Helmholtz equation for modeling the evolution of broad optical beams in media with a cubic-quintic intensity-dependent refractive index. This type of nonlinearity is appropriate for some semiconductor materials, glasses, and polymers. Exact analytical soliton solutions are presented that describe self-trapped nonparaxial beams propagating at any angle with respect to the reference direction. These spatially symmetric solutions are, to the best of our knowledge, the first bistable Helmholtz solitons to be derived. Accompanying conservation laws (both integral and particular forms) are also reported. Numerical simulations investigate the stability of the solitons, which appear to be remarkably robust against perturbations

Martensitic cubic → tetragonal transition

International Nuclear Information System (INIS)

Schumann, H.

1983-01-01

Indium-thallium alloys containing 14 to 30% At. Tl have a cubic face-centred beta phase wich changes into a tetragonal face-centred alpha martensite during solidification. The martensite contains twin crystals that are large enough to be seen by means of a light microscope. The phenomenological crystallographic martensite theory was used to calculate Miller's index of the habit plane, the formation of the surface relief, the orientation relations and the critical thickness ratio of the twins. In a beta monocrystal frequently only one of the 24 crystallographic possible habit planes are formed at one end of the sample and migrate through the whole crystal when the temperature drops. Externally applied tension and compression influence in different ways the direction in which the habit plane moves and can even destroy the twinned structure, i.e. they can modify the substructure of the martensite crystal. This induces superelasticity, an effect that has also been described quantitatively. (author)

Topics in Cubic Special Geometry

CERN Document Server

Bellucci, Stefano; Roychowdhury, Raju

2011-01-01

We reconsider the sub-leading quantum perturbative corrections to N=2 cubic special Kaehler geometries. Imposing the invariance under axion-shifts, all such corrections (but the imaginary constant one) can be introduced or removed through suitable, lower unitriangular symplectic transformations, dubbed Peccei-Quinn (PQ) transformations. Since PQ transformations do not belong to the d=4 U-duality group G4, in symmetric cases they generally have a non-trivial action on the unique quartic invariant polynomial I4 of the charge representation R of G4. This leads to interesting phenomena in relation to theory of extremal black hole attractors; namely, the possibility to make transitions between different charge orbits of R, with corresponding change of the supersymmetry properties of the supported attractor solutions. Furthermore, a suitable action of PQ transformations can also set I4 to zero, or vice versa it can generate a non-vanishing I4: this corresponds to transitions between "large" and "small" charge orbit...

Timber resource statistics for the Yakataga inventory unit, Alaska, 1976.

Science.gov (United States)

Willem W.S. van Hees

1985-01-01

Statistics on forest area, total gross and net timber volumes, and annual net growth and mortality are presented from the 1976 timber inventory of the Yakataga unit, Alaska. Timberland area is estimated at 209.3 thousand acres (84.7 thousand ha), net growing stock volume at 917.1 million cubic feet (26.0 million m3), and annual net growth and...

Effect of boron oxide on the cubic-to-monoclinic phase transition in yttria-stabilized zirconia

International Nuclear Information System (INIS)

Florio, D.Z. de; Muccillo, R.

2004-01-01

Specimens of yttria fully stabilized zirconia with different amounts of boron oxide have been studied by X-ray diffraction at room temperature and at higher temperatures up to 1250 deg. C. A boron oxide-assisted cubic-to-monoclinic phase transformation was determined in the temperature range 800-1250 deg. C. In situ high temperature X-ray diffraction experiments gave evidences of the dependence of the phase transformation on the heating rate. The possibility of tuning the cubic-monoclinic phase ratio by suitable addition of boron oxide before pressing and sintering is proposed

On the dynamic Stability of a quadratic-cubic elastic model structure ...

African Journals Online (AJOL)

The main substance of this investigation is the determination of the dynamic buckling load of an imperfect quadratic-cubic elastic model structure , which ,in itself, is a Mathematical generalization of some of the many physical structures normally encountered in engineering practice and allied fields. The load function in ...

Universal centers in the cubic trigonometric Abel equation

Directory of Open Access Journals (Sweden)

Jaume Giné

2014-02-01

Full Text Available We study the center problem for the trigonometric Abel equation $d \\rho/ d \\theta= a_1 (\\theta \\rho^2 + a_2(\\theta \\rho^3,$ where $a_1(\\theta$ and $a_2(\\theta$ are cubic trigonometric polynomials in $\\theta$. This problem is closely connected with the classical Poincaré center problem for planar polynomial vector fields. A particular class of centers, the so-called universal centers or composition centers, is taken into account. An example of non-universal center and a characterization of all the universal centers for such equation are provided.

Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices

International Nuclear Information System (INIS)

Cramer, M.; Eisert, J.; Illuminati, F.

2004-01-01

We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices

Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices.

Science.gov (United States)

Cramer, M; Eisert, J; Illuminati, F

2004-11-05

We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

Soliton interaction in quadratic and cubic bulk media

DEFF Research Database (Denmark)

Johansen, Steffen Kjær; Bang, Ole

2000-01-01

Summary form only given. The understanding of how and to what extend the cubic nonlinearity affects beam propagation and spatial soliton formation in quadratic media is of vital importance in fundamental and applied nonlinear physics. We consider beam propagation under type-I SHG conditions...... in lossless bulk second order nonlinear optical materials with a nonvanishing third order nonlinearity. It is known that in pure second order systems a single soliton can never collapse whereas in systems with both nonlinearities and that stable single soliton propagation can only in some circumstances...

Bistability and instability of dark-antidark solitons in the cubic-quintic nonlinear Schrödinger equation

KAUST Repository

Crosta, M.; Fratalocchi, Andrea; Trillo, S.

2011-01-01

We characterize the full family of soliton solutions sitting over a background plane wave and ruled by the cubic-quintic nonlinear Schrödinger equation in the regime where a quintic focusing term represents a saturation of the cubic defocusing nonlinearity. We discuss the existence and properties of solitons in terms of catastrophe theory and fully characterize bistability and instabilities of the dark-antidark pairs, revealing mechanisms of decay of antidark solitons into dispersive shock waves.

Bistability and instability of dark-antidark solitons in the cubic-quintic nonlinear Schrödinger equation

KAUST Repository

Crosta, M.

2011-12-05

We characterize the full family of soliton solutions sitting over a background plane wave and ruled by the cubic-quintic nonlinear Schrödinger equation in the regime where a quintic focusing term represents a saturation of the cubic defocusing nonlinearity. We discuss the existence and properties of solitons in terms of catastrophe theory and fully characterize bistability and instabilities of the dark-antidark pairs, revealing mechanisms of decay of antidark solitons into dispersive shock waves.

Investigation of Room Temperature Synthesis of Titanium Dioxide Nanoclusters Dispersed on Cubic MCM-48 Mesoporous Materials

OpenAIRE

Sridhar Budhi; Chia-Ming Wu; Dan Zhao; Ranjit T. Koodali

2015-01-01

Titania containing cubic MCM-48 mesoporous materials were synthesized successfully at room temperature by a modified Stöber method. The integrity of the cubic mesoporous phase was retained even at relatively high loadings of titania. The TiO2-MCM-48 materials were extensively characterized by a variety of physico-chemical techniques. The physico-chemical characterization indicate that Ti4+ ions can be substituted in framework tetrahedral positions. The relative amount of Ti4+ ions in tetrahe...

Photoluminescence studies of cubic phase GaN grown by molecular beam epitaxy on (001) silicon covered with SiC layer

International Nuclear Information System (INIS)

Godlewski, M.; Ivanov, V.Yu.; Bergman, J.P.; Monemar, B.; Barski, A.; Langer, R.

1997-01-01

In this work we evaluate optical properties of cubic phase GaN epilayers grown on top of (001) silicon substrate prepared by new process. Prior to the growth Si substrate was annealed at 1300-1400 o C in propane. The so-prepared substrate is covered within a thin (∼ 4 nm) SiC wafer, which allowed a successful growth of good morphological quality cubic phase GaN epilayers. The present results confirm recent suggestion on smaller ionization energies of acceptors in cubic phase GaN epilayers. (author)

Drude weight and optical conductivity of a two-dimensional heavy-hole gas with k-cubic spin-orbit interactions

Energy Technology Data Exchange (ETDEWEB)

Mawrie, Alestin; Ghosh, Tarun Kanti [Department of Physics, Indian Institute of Technology-Kanpur, Kanpur 208 016 (India)

2016-01-28

We present a detailed theoretical study on zero-frequency Drude weight and optical conductivity of a two-dimensional heavy-hole gas (2DHG) with k-cubic Rashba and Dresselhaus spin-orbit interactions. The presence of k-cubic spin-orbit couplings strongly modifies the Drude weight in comparison to the electron gas with k-linear spin-orbit couplings. For large hole density and strong k-cubic spin-orbit couplings, the density dependence of Drude weight deviates from the linear behavior. We establish a relation between optical conductivity and the Berry connection. Unlike two-dimensional electron gas with k-linear spin-orbit couplings, we explicitly show that the optical conductivity does not vanish even for equal strength of the two spin-orbit couplings. We attribute this fact to the non-zero Berry phase for equal strength of k-cubic spin-orbit couplings. The least photon energy needed to set in the optical transition in hole gas is one order of magnitude smaller than that of electron gas. Types of two van Hove singularities appear in the optical spectrum are also discussed.

Electronic, elastic, acoustic and optical properties of cubic TiO2: A DFT approach

International Nuclear Information System (INIS)

Mahmood, Tariq; Cao, Chuanbao; Tahir, Muhammad; Idrees, Faryal; Ahmed, Maqsood; Tanveer, M.; Aslam, Imran; Usman, Zahid; Ali, Zulfiqar; Hussain, Sajad

2013-01-01

The electronic, elastic, acoustic and optical properties of cubic phases TiO 2 fluorite and pyrite are investigated using the first principles calculations. We have employed five different exchange–correlation functions within the local density and generalized gradient approximations using the ultrasoft plane wave pseudopotential method. The calculated band structures of cubic-TiO 2 elucidate that the TiO 2 fluorite and pyrite are direct and indirect semiconductors in contrast to the previous findings. From our studied properties such as bulk and shear moduli, elastic constants C 44 and Debye temperature for TiO 2 fluorite and pyrite, we infer that both the cubic phases are not superhard materials and the pyrite phase is harder than fluorite. The longitudinal and transversal acoustic wave speeds for both phases in the directions [100], [110] and [111] are determined using the pre-calculated elastic constants. In addition, we also calculate the optical properties such as dielectric function, absorption spectrum, refractive index and energy loss function using the pre-optimized structure. On the observation of optical properties TiO 2 fluorite phase turn out to be more photocatalytic than pyrite

Dielectric properties and microstructural characterization of cubic pyrochlored bismuth magnesium niobates

KAUST Repository

Zhang, Yuan

2013-08-06

Cubic bismuth pyrochlores in the Bi2O3 Bi 2O3-MgO-Nb2O5 Nb2O 5 system have been investigated as promising dielectric materials due to their high dielectric constant and low dielectric loss. Here, we report on the dielectric properties and microstructures of cubic pyrochlored Bi 1.5 MgNb 1.5 O 7 Bi1.5MgNb1.5O7 (BMN) ceramic samples synthesized via solid-state reactions. The dielectric constant (measured at 1 MHz) was measured to be ∼ 120 ∼120 at room temperature, and the dielectric loss was as low as 0.001. X-ray diffraction patterns demonstrated that the BMN samples had a cubic pyrochlored structure, which was also confirmed by selected area electron diffraction (SAED) patterns. Raman spectrum revealed more than six vibrational models predicted for the ideal pyrochlore structure, indicating additional atomic displacements of the A and O′ O\\' sites from the ideal atomic positions in the BMN samples. Structural modulations of the pyrochlore structure along the [110] and [121] directions were observed in SAED patterns and high-resolution transmission electron microscopy (HR-TEM) images. In addition, HR-TEM images also revealed that the grain boundaries (GBs) in the BMN samples were much clean, and no segregation or impure phase was observed forming at GBs. The high dielectric constants in the BMN samples were ascribed to the long-range ordered pyrochlore structures since the electric dipoles formed at the superstructural direction could be enhanced. The low dielectric loss was attributed to the existence of noncontaminated GBs in the BMN ceramics. © 2013 Springer-Verlag Berlin Heidelberg.

One billion cubic meters of gas produced in Kikinda area

Energy Technology Data Exchange (ETDEWEB)

Vicicevic, M; Duric, N

1969-10-01

The Kikinda gas reservoir has just passed a milestone in producing one billion cubic meters of natural gas. The reservoir was discovered in 1962, and its present production amounts to 26 million cu m. One of the biggest problems was formation of hydrates, which has successfully been solved by using methanol. Four tables show production statistics by years and productive formations.

Influence of a hydrostatic pressure on the diffusion in metals having a cubic structure

International Nuclear Information System (INIS)

Beyeler, M.

1969-01-01

In view of obtaining informations on the structure of vacancies. We have determined, by diffusion experiments under high pressure, the activation volumes for self diffusion in different face centered cubic metals: silver, gold, copper, aluminium and in body centered cubic uranium (gamma phase). Activation volumes for noble metals diffusion in aluminium have also been investigated. The experimental results on gold, silver and copper are in good agreement with most of the theoretical models. The estimated activation volume for gamma uranium seems to indicate a vacancy mechanism.The results on aluminium for both self and impurity diffusion agree quite well with Friedel's theoretical predictions [fr

40 CFR Appendix A to Part 76 - Phase I Affected Coal-Fired Utility Units With Group 1 or Cell Burner Boilers

Science.gov (United States)

2010-07-01

... Units With Group 1 or Cell Burner Boilers A Appendix A to Part 76 Protection of Environment... 1 or Cell Burner Boilers Table 1—Phase I Tangentially Fired Units State Plant Unit Operator ALABAMA... Vertically fired boiler. 2 Arch-fired boiler. Table 3—Phase I Cell Burner Technology Units State Plant Unit...

Cubic Dresselhaus interaction parameter from quantum corrections to the conductivity in the presence of an in-plane magnetic field

Science.gov (United States)

Marinescu, D. C.

2017-09-01

We evaluate the quantum corrections to the conductivity of a two-dimensional electron system with competing Rashba (R) and linear and cubic Dresselhaus (D) spin-orbit interactions in the presence of an in-plane magnetic field B . Within a perturbative approximation, we investigate the interplay between the spin-orbit coupling and the magnetic field in determining the transport regime in two different limiting scenarios: when only one of the linear terms, either Rashba or Dresselhaus, dominates, and at equal linear couplings, when the cubic Dresselhaus breaks the spin symmetry. In each instance, we find that for B higher than a critical value, the antilocalization correction is suppressed and the effective dephasing time saturates to a constant value determined only by the spin-orbit interaction. At equal R-D linear couplings, this value is directly proportional with the cubic Dresselhaus contribution. In the same regime, the magnetoconductivity is expressed as a simple logarithmic function dependent only on the cubic Dresselhaus constant.

Self diffusion and spectral modifications of a membrane protein, the Rubrivivax gelatinosus LH2 complex, incorporated into a monoolein cubic phase.

OpenAIRE

Tsapis, N; Reiss-Husson, F; Ober, R; Genest, M; Hodges, R S; Urbach, W

2001-01-01

The light-harvesting complex LH2 from a purple bacterium, Rubrivivax gelatinosus, has been incorporated into the Q230 cubic phase of monoolein. We measured the self-diffusion of LH2 in detergent solution and in the cubic phase by fluorescence recovery after photobleaching. We investigated also the absorption and fluorescence properties of this oligomeric membrane protein in the cubic phase, in comparison with its beta-octyl glucoside solution. In these experiments, native LH2 and LH2 labeled ...

A heated vapor cell unit for DAVLL in atomic rubidium

OpenAIRE

McCarron, Daniel J.; Hughes, Ifan G.; Tierney, Patrick; Cornish, Simon L.

2007-01-01

The design and performance of a compact heated vapor cell unit for realizing a dichroic atomic vapor laser lock (DAVLL) for the D2 transitions in atomic rubidium is described. A 5 cm-long vapor cell is placed in a double-solenoid arrangement to produce the required magnetic field; the heat from the solenoid is used to increase the vapor pressure and correspondingly the DAVLL signal. We have characterized experimentally the dependence of important features of the DAVLL signal on magnetic field...

The thermal expansion of gold: point defect concentrations and pre-melting in a face-centred cubic metal.

Science.gov (United States)

Pamato, Martha G; Wood, Ian G; Dobson, David P; Hunt, Simon A; Vočadlo, Lidunka

2018-04-01

On the basis of ab initio computer simulations, pre-melting phenomena have been suggested to occur in the elastic properties of hexagonal close-packed iron under the conditions of the Earth's inner core just before melting. The extent to which these pre-melting effects might also occur in the physical properties of face-centred cubic metals has been investigated here under more experimentally accessible conditions for gold, allowing for comparison with future computer simulations of this material. The thermal expansion of gold has been determined by X-ray powder diffraction from 40 K up to the melting point (1337 K). For the entire temperature range investigated, the unit-cell volume can be represented in the following way: a second-order Grüneisen approximation to the zero-pressure volumetric equation of state, with the internal energy calculated via a Debye model, is used to represent the thermal expansion of the 'perfect crystal'. Gold shows a nonlinear increase in thermal expansion that departs from this Grüneisen-Debye model prior to melting, which is probably a result of the generation of point defects over a large range of temperatures, beginning at T / T m > 0.75 (a similar homologous T to where softening has been observed in the elastic moduli of Au). Therefore, the thermodynamic theory of point defects was used to include the additional volume of the vacancies at high temperatures ('real crystal'), resulting in the following fitted parameters: Q = ( V 0 K 0 )/γ = 4.04 (1) × 10 -18  J, V 0 = 67.1671 (3) Å 3 , b = ( K 0 ' - 1)/2 = 3.84 (9), θ D = 182 (2) K, ( v f /Ω)exp( s f / k B ) = 1.8 (23) and h f = 0.9 (2) eV, where V 0 is the unit-cell volume at 0 K, K 0 and K 0 ' are the isothermal incompressibility and its first derivative with respect to pressure (evaluated at zero pressure), γ is a Grüneisen parameter, θ D is the Debye temperature, v f , h f and s f are the vacancy formation volume, enthalpy and entropy

Orientation selection process during the early stage of cubic dendrite growth: A phase-field crystal study

International Nuclear Information System (INIS)

Tang Sai; Wang Zhijun; Guo Yaolin; Wang Jincheng; Yu Yanmei; Zhou Yaohe

2012-01-01

Using the phase-field crystal model, we investigate the orientation selection of the cubic dendrite growth at the atomic scale. Our simulation results reproduce how a face-centered cubic (fcc) octahedral nucleus and a body-centered cubic (bcc) truncated-rhombic dodecahedral nucleus choose the preferred growth direction and then evolve into the dendrite pattern. The interface energy anisotropy inherent in the fcc crystal structure leads to the fastest growth velocity in the 〈1 0 0〉 directions. New { 1 1 1} atomic layers prefer to nucleate at positions near the tips of the fcc octahedron, which leads to the directed growth of the fcc dendrite tips in the 〈1 0 0〉 directions. A similar orientation selection process is also found during the early stage of bcc dendrite growth. The orientation selection regime obtained by phase-field crystal simulation is helpful for understanding the orientation selection processes of real dendrite growth.

Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion

DEFF Research Database (Denmark)

Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel

2014-01-01

We use density functional theory calculations to investigate the stability of cubic perovskites for photo-electrochemical water splitting taking both materials in their bulk crystal structure and dissolved phases into account. The method is validated through a detailed comparison of the calculated...

Automated assembling of single fuel cell units for use in a fuel cell stack

Science.gov (United States)

Jalba, C. K.; Muminovic, A.; Barz, C.; Nasui, V.

2017-05-01

The manufacturing of PEMFC stacks (POLYMER ELEKTROLYT MEMBRAN Fuel Cell) is nowadays still done by hand. Over hundreds of identical single components have to be placed accurate together for the construction of a fuel cell stack. Beside logistic problems, higher total costs and disadvantages in weight the high number of components produce a higher statistic interference because of faulty erection or material defects and summation of manufacturing tolerances. The saving of costs is about 20 - 25 %. Furthermore, the total weight of the fuel cells will be reduced because of a new sealing technology. Overall a one minute cycle time has to be aimed per cell at the manufacturing of these single components. The change of the existing sealing concept to a bonded sealing is one of the important requisites to get an automated manufacturing of single cell units. One of the important steps for an automated gluing process is the checking of the glue application by using of an image processing system. After bonding the single fuel cell the sealing and electrical function can be checked, so that only functional and high qualitative cells can get into further manufacturing processes.

Bifurcation of rupture path by linear and cubic damping force

Science.gov (United States)

Dennis L. C., C.; Chew X., Y.; Lee Y., C.

2014-06-01

Bifurcation of rupture path is studied for the effect of linear and cubic damping. Momentum equation with Rayleigh factor was transformed into ordinary differential form. Bernoulli differential equation was obtained and solved by the separation of variables. Analytical or exact solutions yielded the bifurcation was visible at imaginary part when the wave was non dispersive. For the dispersive wave, bifurcation of rupture path was invisible.

Improved reproducibility of unit-cell parameters in macromolecular cryocrystallography by limiting dehydration during crystal mounting.

Science.gov (United States)

Farley, Christopher; Burks, Geoffry; Siegert, Thomas; Juers, Douglas H

2014-08-01

In macromolecular cryocrystallography unit-cell parameters can have low reproducibility, limiting the effectiveness of combining data sets from multiple crystals and inhibiting the development of defined repeatable cooling protocols. Here, potential sources of unit-cell variation are investigated and crystal dehydration during loop-mounting is found to be an important factor. The amount of water lost by the unit cell depends on the crystal size, the loop size, the ambient relative humidity and the transfer distance to the cooling medium. To limit water loss during crystal mounting, a threefold strategy has been implemented. Firstly, crystal manipulations are performed in a humid environment similar to the humidity of the crystal-growth or soaking solution. Secondly, the looped crystal is transferred to a vial containing a small amount of the crystal soaking solution. Upon loop transfer, the vial is sealed, which allows transport of the crystal at its equilibrated humidity. Thirdly, the crystal loop is directly mounted from the vial into the cold gas stream. This strategy minimizes the exposure of the crystal to relatively low humidity ambient air, improves the reproducibility of low-temperature unit-cell parameters and offers some new approaches to crystal handling and cryoprotection.

Mechanical properties of regular porous biomaterials made from truncated cube repeating unit cells: Analytical solutions and computational models.

Science.gov (United States)

Hedayati, R; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

2016-03-01

Additive manufacturing (AM) has enabled fabrication of open-cell porous biomaterials based on repeating unit cells. The micro-architecture of the porous biomaterials and, thus, their physical properties could then be precisely controlled. Due to their many favorable properties, porous biomaterials manufactured using AM are considered as promising candidates for bone substitution as well as for several other applications in orthopedic surgery. The mechanical properties of such porous structures including static and fatigue properties are shown to be strongly dependent on the type of the repeating unit cell based on which the porous biomaterial is built. In this paper, we study the mechanical properties of porous biomaterials made from a relatively new unit cell, namely truncated cube. We present analytical solutions that relate the dimensions of the repeating unit cell to the elastic modulus, Poisson's ratio, yield stress, and buckling load of those porous structures. We also performed finite element modeling to predict the mechanical properties of the porous structures. The analytical solution and computational results were found to be in agreement with each other. The mechanical properties estimated using both the analytical and computational techniques were somewhat higher than the experimental data reported in one of our recent studies on selective laser melted Ti-6Al-4V porous biomaterials. In addition to porosity, the elastic modulus and Poisson's ratio of the porous structures were found to be strongly dependent on the ratio of the length of the inclined struts to that of the uninclined (i.e. vertical or horizontal) struts, α, in the truncated cube unit cell. The geometry of the truncated cube unit cell approaches the octahedral and cube unit cells when α respectively approaches zero and infinity. Consistent with those geometrical observations, the analytical solutions presented in this study approached those of the octahedral and cube unit cells when �

Structure and thermal stability of nanostructured iron-doped zirconia prepared by high-energy ball milling

DEFF Research Database (Denmark)

Jiang, Jianzhong; Poulsen, Finn Willy; Mørup, Steen

1999-01-01

% alpha-Fe2O3. The unit-cell volume of the cubic ZrO2 phase decreases with increasing iron content. During heating hte cubic-to-tetragonal transition occurs at approximately 827 degrees C and the tetragonal-to-monoclinic transition seems to be absent at temperatures below 950 degrees C. During cooling...... the tetragonal-to-monoclinic transition occurs at 900-1100 degrees C....

On the structure of critical energy levels for the cubic focusing NLS on star graphs

International Nuclear Information System (INIS)

Adami, Riccardo; Noja, Diego; Cacciapuoti, Claudio; Finco, Domenico

2012-01-01

We provide information on a non-trivial structure of phase space of the cubic nonlinear Schrödinger (NLS) on a three-edge star graph. We prove that, in contrast to the case of the standard NLS on the line, the energy associated with the cubic focusing Schrödinger equation on the three-edge star graph with a free (Kirchhoff) vertex does not attain a minimum value on any sphere of constant L 2 -norm. We moreover show that the only stationary state with prescribed L 2 -norm is indeed a saddle point. (fast track communication)

Efficient LBM visual simulation on face-centered cubic lattices.

Science.gov (United States)

Petkov, Kaloian; Qiu, Feng; Fan, Zhe; Kaufman, Arie E; Mueller, Klaus

2009-01-01

The Lattice Boltzmann method (LBM) for visual simulation of fluid flow generally employs cubic Cartesian (CC) lattices such as the D3Q13 and D3Q19 lattices for the particle transport. However, the CC lattices lead to suboptimal representation of the simulation space. We introduce the face-centered cubic (FCC) lattice, fD3Q13, for LBM simulations. Compared to the CC lattices, the fD3Q13 lattice creates a more isotropic sampling of the simulation domain and its single lattice speed (i.e., link length) simplifies the computations and data storage. Furthermore, the fD3Q13 lattice can be decomposed into two independent interleaved lattices, one of which can be discarded, which doubles the simulation speed. The resulting LBM simulation can be efficiently mapped to the GPU, further increasing the computational performance. We show the numerical advantages of the FCC lattice on channeled flow in 2D and the flow-past-a-sphere benchmark in 3D. In both cases, the comparison is against the corresponding CC lattices using the analytical solutions for the systems as well as velocity field visualizations. We also demonstrate the performance advantages of the fD3Q13 lattice for interactive simulation and rendering of hot smoke in an urban environment using thermal LBM.

Hierarchical Na-doped cubic ZrO{sub 2} synthesis by a simple hydrothermal route and its application in biodiesel production

Energy Technology Data Exchange (ETDEWEB)

Lara-García, Hugo A.; Romero-Ibarra, Issis C.; Pfeiffer, Heriberto, E-mail: pfeiffer@iim.unam.mx

2014-10-15

Hierarchical growth of cubic ZrO{sub 2} phase was successfully synthesized via a simple hydrothermal process in the presence of different surfactants (cationic, non-ionic and anionic) and sodium hydroxide. The structural and microstructural characterizations of different ZrO{sub 2} powders were performed using various techniques, such as X-ray diffraction, transmission electron microscopy, N{sub 2} adsorption–desorption, scanning electron microscopy and infrared. Results indicated that sodium addition stabilized the cubic ZrO{sub 2} phase by a Na-doping process, independently of the surfactant used. In contrast, microstructural characteristics varied as a function of the surfactant and sodium presence. In addition, water vapor (H{sub 2}O) and carbon dioxide (CO{sub 2}) sorption properties were evaluated on ZrO{sub 2} samples. Results evidenced that sample surface reactivity changed as a function of the sodium content. Finally, this surface reactivity was evaluated on the biodiesel transesterification reaction using the different synthesized samples, obtaining yields of 93%. - Graphical abstract: Hierarchical growth of cubic Na-ZrO{sub 2} phase was synthesized by hydrothermal processes in the presence of surfactants and sodium. Sodium addition stabilized the cubic phase by a Na-doping process, while the microstructural characteristics varied with surfactants. Finally, this surface reactivity was evaluated on the biodiesel transesterification reaction. - Highlights: • Cubic-ZrO{sub 2} phase was synthesized via a simple hydrothermal process. • ZrO{sub 2} structure and microstructures changed as a function of the surfactant. • Cubic-ZrO{sub 2} phase was evaluated on the biodiesel transesterification reaction.

Nanosize stabilization of cubic and tetragonal phases in reactive plasma synthesized zirconia powders

Energy Technology Data Exchange (ETDEWEB)

Jayakumar, S., E-mail: sjayakumar.physics@gmail.com [Research and Development Centre, Bharathiar University, Coimbatore 641 014 (India); Department of Physics, Pollachi Institute of Engineering and Technology, Pollachi 642 205 (India); Ananthapadmanabhan, P.V.; Thiyagarajan, T.K. [Laser and Plasma Technology Division, BARC, Trombay, Mumbai 400 085 (India); Perumal, K. [Vision for Wisdom, Temple of Consciousness, Aliyar 642 101 (India); Mishra, S.C. [Department of Metallurgical and Materials Engg, National Institute of Technology, Rourkela 769 008 (India); Suresh, G. [Department of Physics, Park College of Engineering and Technology, Coimbatore 641 659 (India); Su, L.T.; Tok, A.I.Y. [School of Materials Science and Engg, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639 798 (Singapore)

2013-06-15

Pure zirconium oxide powders with particle size 2–33 nm are synthesized by reactive plasma processing. Transmission electron microscopy investigation of these particles revealed size dependent behavior for their phase stabilization. The monoclinic phase is found to be stable when particle size is ≥20 nm; Tetragonal is found to be stabilized in the range of 7–20 nm and as the particle size decreases to 6 nm and less, the cubic phase is stabilized. - Highlights: ► Direct conversion of micron-sized zirconium hydride powder to single crystal ZrO{sub 2} nanopowder. ► Size dependent stabilization of cubic, tetragonal and monoclinic phases in the reactive plasma synthesized ZrO{sub 2} nanopowder. ► Transmission electron microscopic investigation to identify particles of different sizes and their corresponding phase structure.

Correction of Sample-Time Error for Time-Interleaved Sampling System Using Cubic Spline Interpolation

Directory of Open Access Journals (Sweden)

Qin Guo-jie

2014-08-01

Full Text Available Sample-time errors can greatly degrade the dynamic range of a time-interleaved sampling system. In this paper, a novel correction technique employing a cubic spline interpolation is proposed for inter-channel sample-time error compensation. The cubic spline interpolation compensation filter is developed in the form of a finite-impulse response (FIR filter structure. The correction method of the interpolation compensation filter coefficients is deduced. A 4GS/s two-channel, time-interleaved ADC prototype system has been implemented to evaluate the performance of the technique. The experimental results showed that the correction technique is effective to attenuate the spurious spurs and improve the dynamic performance of the system.

Heat capacities, third-law entropies and thermodynamic functions of the negative thermal expansion materials, cubic α-ZrW2O8 and cubic ZrMo2O8, from T=(0 to 400) K

International Nuclear Information System (INIS)

Stevens, Rebecca; Linford, Jessica; Woodfield, Brian F.; Boerio-Goates, Juliana.; Lind, Cora; Wilkinson, Angus P.; Kowach, Glen

2003-01-01

The molar heat capacities of crystalline cubic α-ZrW 2 O 8 and cubic ZrMo 2 O 8 have been measured at temperatures from (0.6 to 400) K. At T=298.15 K, the standard molar heat capacities are (207.01±0.21) J·K -1 ·mol -1 for the tungstate and (210.06±0.42) J·K -1 ·mol -1 for the molybdate. Thermodynamic functions have been generated from smoothed fits of the experimental results. The standard molar entropies for the tungstate and molybdate are (257.96±0.50) J·K -1 ·mol -1 and (254.3±1) J·K -1 ·mol -1 , respectively. The uncertainty of the entropy of the cubic ZrMo 2 O 8 is larger due to the presence of small chemical and phase impurities whose effects cannot be corrected for at this time. The heat capacities of the negative thermal expansion materials have been compared to the weighted sums of their constituent binary oxides. Both negative thermal expansion materials have heat capacities which are significantly greater than the sum of the binary oxides over the entire temperature region

The effect of k-cubic Dresselhaus spin—orbit coupling on the decay time of persistent spin helix states in semiconductor two-dimensional electron gases

International Nuclear Information System (INIS)

Chai Zheng; Hu Mao-Jin; Wang Rui-Qiang; Hu Liang-Bin

2014-01-01

We study the theoretical effect of k-cubic (i.e. cubic-in-momentum) Dresselhaus spin—orbit coupling on the decay time of persistent spin helix states in semiconductor two-dimensional electron gases. We show that the decay time of persistent spin helix states may be suppressed substantially by k-cubic Dresselhaus spin—orbit coupling, and after taking the effect of k-cubic Dresselhaus spin—orbit interaction into account, the theoretical results obtained accord both qualitatively and quantitatively with other recent experimental results. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Limit cycles bifurcating from the periodic annulus of cubic homogeneous polynomial centers

Directory of Open Access Journals (Sweden)

Jaume Llibre

2015-10-01

Full Text Available We obtain an explicit polynomial whose simple positive real roots provide the limit cycles which bifurcate from the periodic orbits of any cubic homogeneous polynomial center when it is perturbed inside the class of all polynomial differential systems of degree n.

Extension of the cubic-plus-association (CPA) equation of state to amines

DEFF Research Database (Denmark)

Kaarsholm, Mads Kristian; Derawi, Samer; Michelsen, Michael Locht

2005-01-01

The cubic-plus-association (CPA) equation of state has been extended to modeling mixtures containing amines. Special focus was given to primary and secondary amines, which are known to self-associate, thus forming hydrogen bonds in mixtures with alkanes. Pure-compound parameters have been determi...

Electrochemical characterization of a polybenzimidazole-based high temperature proton exchange membrane unit cell

DEFF Research Database (Denmark)

Jespersen, Jesper Lebæk; Schaltz, Erik; Kær, Søren Knudsen

2009-01-01

This work constitutes detailed EIS (Electrochemical Impedance Spectroscopy) measurements on a PBIbased HT-PEM unit cell. By means of EIS the fuel cell is characterized in several modes of operation by varying the current density, temperature and the stoichiometry of the reactant gases. Using...

Modelling subject-specific childhood growth using linear mixed-effect models with cubic regression splines.

Science.gov (United States)

Grajeda, Laura M; Ivanescu, Andrada; Saito, Mayuko; Crainiceanu, Ciprian; Jaganath, Devan; Gilman, Robert H; Crabtree, Jean E; Kelleher, Dermott; Cabrera, Lilia; Cama, Vitaliano; Checkley, William

2016-01-01

Childhood growth is a cornerstone of pediatric research. Statistical models need to consider individual trajectories to adequately describe growth outcomes. Specifically, well-defined longitudinal models are essential to characterize both population and subject-specific growth. Linear mixed-effect models with cubic regression splines can account for the nonlinearity of growth curves and provide reasonable estimators of population and subject-specific growth, velocity and acceleration. We provide a stepwise approach that builds from simple to complex models, and account for the intrinsic complexity of the data. We start with standard cubic splines regression models and build up to a model that includes subject-specific random intercepts and slopes and residual autocorrelation. We then compared cubic regression splines vis-à-vis linear piecewise splines, and with varying number of knots and positions. Statistical code is provided to ensure reproducibility and improve dissemination of methods. Models are applied to longitudinal height measurements in a cohort of 215 Peruvian children followed from birth until their fourth year of life. Unexplained variability, as measured by the variance of the regression model, was reduced from 7.34 when using ordinary least squares to 0.81 (p linear mixed-effect models with random slopes and a first order continuous autoregressive error term. There was substantial heterogeneity in both the intercept (p modeled with a first order continuous autoregressive error term as evidenced by the variogram of the residuals and by a lack of association among residuals. The final model provides a parametric linear regression equation for both estimation and prediction of population- and individual-level growth in height. We show that cubic regression splines are superior to linear regression splines for the case of a small number of knots in both estimation and prediction with the full linear mixed effect model (AIC 19,352 vs. 19

A modified linear algebraic approach to electron scattering using cubic splines

International Nuclear Information System (INIS)

Kinney, R.A.

1986-01-01

A modified linear algebraic approach to the solution of the Schrodiner equation for low-energy electron scattering is presented. The method uses a piecewise cubic-spline approximation of the wavefunction. Results in the static-potential and the static-exchange approximations for e - +H s-wave scattering are compared with unmodified linear algebraic and variational linear algebraic methods. (author)

Improvement of the Cubic Spline Function Sets for a Synthesis of the Axial Power Distribution of a Core Protection System

International Nuclear Information System (INIS)

Koo, Bon-Seung; Lee, Chung-Chan; Zee, Sung-Quun

2006-01-01

Online digital core protection system(SCOPS) for a system-integrated modular reactor is being developed as a part of a plant protection system at KAERI. SCOPS calculates the minimum CHFR and maximum LPD based on several online measured system parameters including 3-level ex-core detector signals. In conventional ABB-CE digital power plants, cubic spline synthesis technique has been used in online calculations of the core axial power distributions using ex-core detector signals once every 1 second in CPC. In CPC, pre-determined cubic spline function sets are used depending on the characteristics of the ex-core detector responses. But this method shows an unnegligible power distribution error for the extremely skewed axial shapes by using restrictive function sets. Therefore, this paper describes the cubic spline method for the synthesis of an axial power distribution and it generates several new cubic spline function sets for the application of the core protection system, especially for the severely distorted power shapes needed reactor type

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...

Robustness of Multiple High Speed TCP CUBIC Connections Under Severe Operating Conditions

DEFF Research Database (Denmark)

Pilimon, Artur; Ruepp, Sarah Renée; Berger, Michael Stübert

2015-01-01

We study the adaptation capabilities and robustness of the high-speed TCP CUBIC algorithm. For this purpose we consider a network environment with variable and high random packet loss and a large Bandwidth-Delay product, shared by multiple heterogeneous TCP connections. The analysis is based on a...

Criticality of the anisotropic quantum Heisenberg model on a simple cubic lattice

International Nuclear Information System (INIS)

Mariz, A.M.; Santos, R.M.Z. dos; Tsallis, C.; Santos, R.R. dos.

1984-01-01

Within a Real Space Renormalization group framework, the criticality (phase diagram, and critical thermal and crossover exponents) of the spin 1/2 - anisotropic quantum Heisenberg ferromagnet on a simple cubic lattice is studied. The results obtained are in satisfactory agreement with known results whenever available. (Author) [pt

Criticality of the anisotropic quantum Heisenberg model on a simple cubic lattice

International Nuclear Information System (INIS)

Mariz, A.M.; Tsallis, C.; Santos, R.M.Z. dos; Santos, Raimundo R. dos.

1984-11-01

Within a Real Space Renormalization Group Framework, the criticality (phase diagram, and critical thermal and crossover exponents) of the spin 1/2 - anisotropic quantum Heisenberg ferromagnet on a simple cubic lattice is studied. The results obtained are in antisfactory agreement with known results whenever available. (Author) [pt

Chamber with punches made from polycrystal cubic boron nitrides for Moessbauer study at high hydrostatic pressure

International Nuclear Information System (INIS)

Kapitanov, E.V.; Yakovlev, E.N.

1978-01-01

The design of a high hydrostatic pressure chamber with polycrystallic boron nitride dies weakly absorbing gamma radiation with energies of more than 14 keV is described. The use of this material permits to investigate single- and polycrystal bodies using the Moessbauer effect when the geometry of the experiment remains unchanged and the hydrostatic pressure is up to 70 kbar. The basic units of the chamber are a teflon capsule placed in a container made of a pressed boron and epoxide resin mixture, electric inputs and a die of polycrystal cubic boron nitride. The pressure is transferred to the sample tested through a liquid (petrol or the 4 to 1 mixture of methanole and ethanole) which does not become solid at a pressure below 37 kbar. Basic dimensions of the chamber are given and the dependence of the pressure in the capsule on the force applied to the chamber is also presented

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].

The influence of a cubic building on a roof mounted wind turbine

International Nuclear Information System (INIS)

Micallef, Daniel; Sant, Tonio; Ferreira, Carlos

2016-01-01

The performance of a wind turbine located above a cubic building is not well understood. This issue is of fundamental importance for the design of small scale wind turbines. One variable which is of particular importance in this respect is the turbine height above roof level. In this work, the power performance of a small wind turbine is assessed as a function of the height above the roof of a generic cubic building. A 3D Computational Fluid Dynamics model of a 10m x 10m x 10m building is used with the turbine modelled as an actuator disc. Results have shown an improvement in the average power coefficient even in cases where the rotor is partially located within the roof separation zone. This goes against current notions of small wind turbine power production. This study can be of particular importance to guide the turbine installation height on building roof tops. (paper)

Structure and phase transition of BiFeO3 cubic micro-particles prepared by hydrothermal method

International Nuclear Information System (INIS)

Zhou, Jian-Ping; Yang, Ruo-Lin; Xiao, Rui-Juan; Chen, Xiao-Ming; Deng, Chao-Yong

2012-01-01

Graphical abstract: Bismuth ferrite (BiFeO 3 ) cubic micro-particles with smooth surfaces were synthesized. BiFeO 3 has a hexagonal perovskite structure with a space group R3c below 370 °C and rhombohedral perovskite structure with a space group R3m below 755 °C, undergoes a phase transition in the temperature range of 755–817 °C to a cubic structure, then decompose to liquid and Fe 2 O 3 above 939 °C. Highlights: ► BiFeO 3 micro-particles with smooth surface were synthesized by hydrothermal method. ► BiFeO 3 enjoys hexagonal structure with well element ratio and chemical valence. ► BiFeO 3 transition from rhombohedral phase to cubic phase lasts 60 °C. -- Abstract: Single-phase bismuth ferrite (BiFeO 3 ) powders were synthesized with a hydrothermal method by controlling the experimental conditions carefully. The powder structure, morphology and composition were characterized by using X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscope, Raman measurement and X-ray photoelectron spectroscopy. The particles change from irregular agglomerations to regular cubes with increasing KOH concentration. The large BiFeO 3 cubic particles enjoy much smooth surfaces with well-matched element ratio (Bi:Fe:O = 1:1:3) and chemical valence (Bi 3+ , Fe 3+ and O 2− ). The high temperature XRD and differential scanning calorimetry show that BiFeO 3 powders have a hexagonal perovskite structure with a space group R3c below 370 °C and a rhombohedral structure with a space group R3m below 755 °C. BiFeO 3 undergoes a phase transition in the temperature range of 755–817 °C from rhombohedral structure to a cubic phase, then decomposes to liquid and Fe 2 O 3 above 939 °C.

Inulin isoforms differ by repeated additions of one crystal unit cell

Science.gov (United States)

Cooper, Peter D.; Barclay, Thomas G.; Ginic-Markovic, Milena; Gerson, Andrea R.; Petrovsky, Nikolai

2014-01-01

Inulin isoforms, especially delta inulin, are important biologically as immune activators and clinically as vaccine adjuvants. In exploring action mechanisms, we previously found regular increments in thermal properties of the seven-member inulin isoform series that suggested regular additions of some energetic structural unit. Because the previous isolates carried additional longer chains that masked defining ranges, these were contrasted with new isoform isolates comprising only inulin chain lengths defining that isoform. The new series began with 19 fructose units per chain (alpha-1 inulin), increasing regularly by 6 fructose units per isoform. Thus the ‘energetic unit’ equates to 6 fructose residues per chain. All isoforms showed indistinguishable X-ray diffraction patterns that were also identical with known inulin crystals. We conclude that an ‘energetic unit’ equates to one helix turn of 6 fructose units per chain as found in one unit cell of the inulin crystal. Each isoform chain comprised progressively more helix turns plus one additional fructose and glucose residues per chain. PMID:24528745

Effect of Hydrostatic Pressure on the Structural, Electronic and Optical Properties of SnS2 with a Cubic Structure: The DFT Approach

Science.gov (United States)

Bakhshayeshi, A.; Taghavi Mendi, R.; Majidiyan Sarmazdeh, M.

2018-02-01

Recently, a cubic structure of polymorphic SnS2 has been synthesized experimentally, which is stable at room temperature. In this paper, we calculated some structural, electronic and optical properties of the cubic SnS2 structure based on the full potential-linearized augmented plane waves method. We also studied the effect of hydrostatic pressure on the physical properties of the cubic SnS2 structure. Structural results show that the compressibility of the cubic SnS2 phase is greater than its trigonal phase and the compressibility decreases with increasing pressure. Investigations of the electronic properties indicate that pressure changes the density of states and the energy band gap increases with increasing pressure. The variation of energy band gap versus pressure is almost linear. We concluded that cubic SnS2 is a semiconductor with an indirect energy band gap, like its trigonal phase. The optical calculations revealed that the dielectric constant decreases with increasing pressure, and the width of the forbidden energy interval increases for electromagnetic wave propagation. Moreover, plasmonic energy and refractive index are changed with increasing pressure.

Epitaxial growth of high purity cubic InN films on MgO substrates using HfN buffer layers by pulsed laser deposition

International Nuclear Information System (INIS)

Ohba, R.; Ohta, J.; Shimomoto, K.; Fujii, T.; Okamoto, K.; Aoyama, A.; Nakano, T.; Kobayashi, A.; Fujioka, H.; Oshima, M.

2009-01-01

Cubic InN films have been grown on MgO substrates with HfN buffer layers by pulsed laser deposition (PLD). It has been found that the use of HfN (100) buffer layers allows us to grow cubic InN (100) films with an in-plane epitaxial relationship of [001] InN //[001] HfN //[001] MgO . X-ray diffraction and electron back-scattered diffraction measurements have revealed that the phase purity of the cubic InN films was as high as 99%, which can be attributed to the use of HfN buffer layers and the enhanced surface migration of the film precursors by the use of PLD. - Graphical abstract: Cubic InN films have been grown on MgO substrates with HfN buffer layers by pulsed laser deposition (PLD). It has been revealed that the phase purity of the cubic InN films was as high as 99 %, which can be attributed to the use of HfN buffer layers and the enhanced surface migration of the film precursors by the use of PLD.

Theoretical Analysis of Moving Reference Planes Associated with Unit Cells of Nonreciprocal Lossy Periodic Transmission-Line Structures

Directory of Open Access Journals (Sweden)

S. Lamultree

2017-04-01

Full Text Available This paper presents a theoretical analysis of moving reference planes associated with unit cells of nonreciprocal lossy periodic transmission-line structures (NRLSPTLSs by the equivalent bi-characteristic-impedance transmission line (BCITL model. Applying the BCITL theory, only the equivalent BCITL parameters (characteristic impedances for waves propagating in forward and reverse directions and associated complex propagation constants are of interest. An infinite NRLSPTLS is considered first by shifting a reference position of unit cells along TLs of interest. Then, a semi-infinite terminated NRLSPTLS is investigated in terms of associated load reflection coefficients. It is found that the equivalent BCITL characteristic impedances of the original and shifted unit cells are mathematically related by the bilinear transformation. In addition, the associated load reflection coefficients of both unit cells are mathematically related by the bilinear transformation. However, the equivalent BCITL complex propagation constants remain unchanged. Numerical results are provided to show the validity of the proposed theoretical analysis.

Plastic deformation of cubic zirconia single crystals at 1400 C

International Nuclear Information System (INIS)

Baufeld, B.; Baither, D.; Bartsch, M.; Messerschmidt, U.

1998-01-01

Cubic zirconia single crystals stabilized with 11 mol% yttria were deformed in air at 1400 C and around 1200 C at different strain rates along [1 anti 12] and [100] compression directions. The strain rate sensitivity of the flow stress was determined by strain rate cycling and stress relaxation tests. The microstructure of the deformed specimens was investigated by transmission high-voltage electron microscopy, including contrast extinction analysis for determining the Burgers vectors as well as stereo pairs and wide-angle tilting experiments to find the active slip planes. At deformation along [1 anti 12], the primary and secondary slip planes are of {100} type. Previous experiments had shown that the dislocations move easily on these planes in an athermal way. During deformation along [100], mainly dislocations on {100} planes are activated, which move in a viscous way by the aid of thermal activation. The discussion of the different deformation behaviours during deformation along [1 anti 12] and [100] is based on the different dynamic properties of dislocations and the fact that recovery is an essential feature of the deformation of cubic zirconia at 1400 C. The results on the shape of the deformation curve and the strain rate sensitivity of the flow stress are partly at variance with those of previous authors. (orig.)

Solid Oxide Fuel Cells coupled with a biomass gasification unit

Directory of Open Access Journals (Sweden)

Skrzypkiewicz Marek

2016-01-01

Full Text Available A possibility of fuelling a solid oxide fuel cell stack (SOFC with biomass fuels can be realized by coupling a SOFC system with a self-standing gasification unit. Such a solution enables multi-fuel operation, elasticity of the system as well as the increase of the efficiency of small-scale biomass-to-electricity conversion units. A system of this type, consisting of biomass gasification unit, gas purification unit, SOFC stack, anode off-gas afterburner and peripherals was constructed and operated successfully. During the process, biomass fuel (wood chips was gasified with air as gasification agent. The gasifier was capable of converting up to 30 kW of fuel to syngas with efficiencies up to 75%. Syngas leaving the gasification unit is delivered to a medium temperature adsorber for sulphur compounds removal. Steam is added to the purified fuel to maintain steam to carbon ratio higher than 2. The syngas then is passed to a SOFC stack through a fuel preheater. In such a configuration it was possible to operate a commercial 1.3 kW stack within its working regime. Conducted tests confirmed successful operation of a SOFC stack fuelled by biomass-sourced syngas.

The bulk modulus of cubic spinel selenides: an experimental and theoretical study

DEFF Research Database (Denmark)

Waskowska, A.; Gerward, Leif; Olsen, J.S.

2009-01-01

It is argued that mainly the selenium sublattice determines the overall compressibility of the cubic spinel selenides, AB2Se4, and that the bulk modulus for these compounds is about 100GPa. The hypothesis is supported by experiments using high-pressure X-ray diffraction and synchrotron radiation...

Fatigue and biological properties of Ti-6Al-4V ELI cellular structures with variously arranged cubic cells made by selective laser melting.

Science.gov (United States)

Dallago, M; Fontanari, V; Torresani, E; Leoni, M; Pederzolli, C; Potrich, C; Benedetti, M

2018-02-01

Traditional implants made of bulk titanium are much stiffer than human bone and this mismatch can induce stress shielding. Although more complex to produce and with less predictable properties compared to bulk implants, implants with a highly porous structure can be produced to match the bone stiffness and at the same time favor bone ingrowth and regeneration. This paper presents the results of the mechanical and dimensional characterization of different regular cubic open-cell cellular structures produced by Selective Laser Melting (SLM) of Ti6Al4V alloy, all with the same nominal elastic modulus of 3GPa that matches that of human trabecular bone. The main objective of this research was to determine which structure has the best fatigue resistance through fully reversed fatigue tests on cellular specimens. The quality of the manufacturing process and the discrepancy between the actual measured cell parameters and the nominal CAD values were assessed through an extensive metrological analysis. The results of the metrological assessment allowed us to discuss the effect of manufacturing defects (porosity, surface roughness and geometrical inaccuracies) on the mechanical properties. Half of the specimens was subjected to a stress relief thermal treatment while the other half to Hot Isostatic Pressing (HIP), and we compared the effect of the treatments on porosity and on the mechanical properties. Fatigue strength seems to be highly dependent on the surface irregularities and notches introduced during the manufacturing process. In fully reversed fatigue tests, the high performances of stretching dominated structures compared to bending dominated structures are not found. In fact, with thicker struts, such structures proved to be more resistant, even if bending actions were present. Copyright © 2017 Elsevier Ltd. All rights reserved.

THE GERMLINE STEM CELL NICHE UNIT IN MAMMALIAN TESTES

Science.gov (United States)

Oatley, Jon M.; Brinster, Ralph L.

2014-01-01

This review addresses current understanding of the germline stem cell niche unit in mammalian testes. Spermatogenesis is a classic model of tissue-specific stem cell function relying on self-renewal and differentiation of spermatogonial stem cells (SSCs). These fate decisions are influenced by a niche microenvironment composed of a growth factor milieu that is provided by several testis somatic support cell populations. Investigations over the last two decades have identified key determinants of the SSC niche including cytokines that regulate SSC functions and support cells providing these factors, adhesion molecules that influence SSC homing, and developmental heterogeneity of the niche during postnatal aging. Emerging evidence suggests that Sertoli cells are a key support cell population influencing the formation and function of niches by secreting soluble factors and possibly orchestrating contributions of other support cells. Investigations with mice have shown that niche influence on SSC proliferation differs during early postnatal development and adulthood. Moreover, there is mounting evidence of an age-related decline in niche function, which is likely influenced by systemic factors. Defining the attributes of stem cell niches is key to developing methods to utilize these cells for regenerative medicine. The SSC population and associated niche comprise a valuable model system for study that provides fundamental knowledge about the biology of tissue-specific stem cells and their capacity to sustain homeostasis of regenerating tissue lineages. While the stem cell is essential for maintenance of all self-renewing tissues and has received considerable attention, the role of niche cells is at least as important and may prove to be more receptive to modification in regenerative medicine. PMID:22535892

A cost effective model for appropriate administration of red cell units and salvaging un-transfused red cell units by using temperature sensitive indicators for blood component transportation in a hospital setting

Directory of Open Access Journals (Sweden)

Aseem K Tiwari

2015-01-01

Full Text Available Background: A rule called "30-min rule" defines that red cell unit cannot be used if it has been out of blood bank refrigerator for over 30 min. This rule is useful to guide initiation of transfusion, but is inadequate for deciding whether to reuse or discard units received-back at blood transfusion services (BTS. A simple cost-effective temperature-sensitive indicator was evaluated to decide upon reuse (cold chain was uninterrupted or discard (where cold chain was interrupted in a simulation exercise. Materials and Methods: Temperature-sensitive indicators TH-F™ that irreversibly changed color from white to red demonstrated that heat excursion has occurred and the cumulative temperature has exceeded 10°C for over 30 min, were used in outdated red cells for simulating units, which are not used and received-back. These units were also tagged with a standard temperature monitoring device, which was a re-usable credit card sized device, which would log the actual time and temperature. In few units percent hemolysis was also calculated. Results: Statistically insignificant elevation in average temperature was noted in 102 simulated units at the time of return to BTS (Δ 0.04°C, despite the fact that these units were in the transport box for over 4 h. The average supernatant hemoglobin in these units was 0.24%, much below the prescribed threshold. Conclusion: Transportation of blood in controlled conditions with temperature-sensitive indicator is a cost-effective model to save blood, a precious human resource.

Zeroing in on red blood cell unit expiry.

Science.gov (United States)

Ayyalil, Fathima; Irwin, Greg; Ross, Bryony; Manolis, Michael; Enjeti, Anoop K

2017-12-01

Expiry of red blood cell (RBC) units is a significant contributor to wastage of precious voluntary donations. Effective strategies aimed at optimal resource utilization are required to minimize wastage. This retrospective study analyzed the strategic measures implemented to reduce expiry of RBC units in an Australian tertiary regional hospital. The measures, which included inventory rearrangement, effective stock rotation, and the number of emergency courier services required during a 24-month period, were evaluated. There was no wastage of RBC units due to expiry over the 12 months after policy changes. Before these changes, approximately half of RBC wastage (261/511) was due to expiry. The total number of transfusions remained constant in this period and there was no increase in the use of emergency couriers. Policy changes implemented were decreasing the RBC inventory level by one-third and effective stock rotation and using a computerized system to link the transfusion services across the area. Effective stock rotation resulted in a reduction in older blood (>28 days) received in the main laboratory rotated from peripheral hospitals, down from 6%-41% to 0%-2.5%. Age-related expiry of blood products is preventable and can be significantly reduced by improving practices in the pathology service. This study provides proof of principle for "zero tolerance for RBC unit expiry" across a large networked blood banking service. © 2017 The Authors Transfusion published by Wiley Periodicals, Inc. on behalf of AABB.

Preparation and electrochemical performances of cubic shape Cu2O as anode material for lithium ion batteries

International Nuclear Information System (INIS)

Zhang, C.Q.; Tu, J.P.; Huang, X.H.; Yuan, Y.F.; Chen, X.T.; Mao, F.

2007-01-01

Cubic and star-shaped crystalline Cu 2 O particles were synthesized by reducing the copper citrate complex solution with glucose. The microstructure and morphology of the Cu 2 O were characterized by means of X-ray diffraction (XRD) and scanning electron microscopy (SEM). The electrochemical properties of the Cu 2 O as anode materials for lithium ion batteries were measured by galvanostatic charge-discharge tests. The as-synthesized Cu 2 O particles were 1-2 μm with narrow distribution and the shape of Cu 2 O particles had an effect on the electrochemical properties. The cubic Cu 2 O particles delivered a higher reversible discharge capacity (390 mAh g -1 ) than the star-shaped Cu 2 O, and also exhibited good cyclability. The star-shaped Cu 2 O particles presented poor cyclability due to pulverization and deterioration after cycling, but the morphology of the cubic Cu 2 O particles was stable even after 50 cycles

Variable-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type barium titanate phases.

Science.gov (United States)

Nakatani, Tomotaka; Yoshiasa, Akira; Nakatsuka, Akihiko; Hiratoko, Tatsuya; Mashimo, Tsutomu; Okube, Maki; Sasaki, Satoshi

2016-02-01

A variable-temperature single-crystal X-ray diffraction study of a synthetic BaTiO3 perovskite has been performed over the temperature range 298-778 K. A transition from a tetragonal (P4mm) to a cubic (Pm3m) phase has been revealed near 413 K. In the non-centrosymmetric P4mm symmetry group, both Ti and O atoms are displaced along the c-axis in opposite directions with regard to the Ba position fixed at the origin, so that Ti(4+) and Ba(2+) cations occupy off-center positions in the TiO6 and BaO12 polyhedra, respectively. Smooth temperature-dependent changes of the atomic coordinates become discontinuous with the phase transition. Our observations imply that the cations remain off-center even in the high-temperature cubic phase. The temperature dependence of the mean-square displacements of Ti in the cubic phase includes a significant static component which means that Ti atoms are statistically distributed in the off-center positions.

Face-centered-cubic Nb-Si solid solutions produced by picosecond pulsed laser quenching

International Nuclear Information System (INIS)

Wang, W.K.; Spaepen, F.

1985-01-01

Face-centered-cubic Nb/sub 100-x/Si/sub x/ solid solutions (10 2 . The lattice parameters of these solutions suggest that the solute atoms can be interstitial or substitutional, probably as a result of a change in the quenching conditions

Synthesis and Optical Properties of Cubic Gold Nanoframes.

Science.gov (United States)

Au, Leslie; Chen, Yeechi; Zhou, Fei; Camargo, Pedro H C; Lim, Byungkwon; Li, Zhi-Yuan; Ginger, David S; Xia, Younan

2008-12-01

This paper describes a facile method of preparing cubic Au nanoframes with open structures via the galvanic replacement reaction between Ag nanocubes and AuCl(2) (-). A mechanistic study of the reaction revealed that the formation of Au nanoframes relies on the diffusion of both Au and Ag atoms. The effect of the edge length and ridge thickness of the nanoframes on the localized surface plasmon resonance peak was explored by a combination of discrete dipole approximation calculations and single nanoparticle spectroscopy. With their hollow and open structures, the Au nanoframes represent a novel class of substrates for applications including surface plasmonics and surface-enhanced Raman scattering.

The influence of a cubic building on a roof mounted wind turbine

NARCIS (Netherlands)

Micallef, D.; Sant, Tonio; Simao Ferreira, C.

2016-01-01

The performance of a wind turbine located above a cubic building is not well understood. This issue is of fundamental importance for the design of small scale wind turbines. One variable which is of particular importance in this respect is the turbine height above roof level. In this work, the

Unit cell-based computer-aided manufacturing system for tissue engineering

International Nuclear Information System (INIS)

Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo

2012-01-01

Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering. (paper)

Unit cell-based computer-aided manufacturing system for tissue engineering.

Science.gov (United States)

Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo

2012-03-01

Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.

Development of a unit cell model for interim performance assessment of vitrified low level waste disposal

International Nuclear Information System (INIS)

Kline, N.W.

1995-09-01

The unit cell modeling approach has been developed and used in analysis of some design options for a vitrified low level waste disposal facility. The unit cell modeling approach is likely to be useful in interim performance assessment for the facility. The present unit cell model will probably need to be refitted in terms of some model parameters for the latter purpose. Two present disposal facility concepts differ in the length of a capillary barrier proposed to limit effective recharge through the top of the facility. Results of the study summarized herein suggest design of a capillary barrier which can reduce a recharge rate of 0.1 cm/yr by one or two orders of magnitude seems feasible for both concepts. A benchmark comparison of the unit cell model against a full facility model shows comparable predictive accuracy in less than one percent of the computer time. Results suggest that model parameters include capillary barrier performance, inter-canister spacing, rate of moisture withdrawal due to glass corrosion, contaminant inventory, and the well interceptor factor. It is also important that variations of waste form hydraulic parameters suggest that transport through the waste form is dominated by diffusion

Optical Characterization of Light-Bending Mechanisms in Photonic Crystals with Simple Cubic Symmetry

Science.gov (United States)

Frey, Brian James

For much of Earth's history, light was reputed to be an intangible, intractable, and transient quantity, but our understanding of light has since been revolutionized. The flow of electromagnetic energy through space can today be manipulated with a degree of precision and control once only dreamed of; rapidly developing technologies can create, guide, bend, and detect light to produce useful energy and information. One field where these technologies are most relevant is the field of light trapping, which concerns the harvesting of incident photons within a limited space by scattering, slowing, or otherwise prolonging and enhancing their interaction with matter. Over the past few decades, a class of materials, called photonic crystals (PCs), has emerged that is ideally suited for this task. This is because their wavelength-scale periodicity in one, two, or three dimensions can be designed to alter the dispersion relation and photonic density-of-states in a controllable manner. In this work, a TiO2 simple cubic PC with high dielectric contrast ( > 4:1) is fabricated with a lattice constant of 450 nm, and a newly discovered light-trapping mechanism is demonstrated, which bends light by 90 degrees and enhances optical absorption by one to two orders-of-magnitude over that in a reference film of the same thickness. It is shown that, for wavelengths from 450-950 nm, the achievable enhancement factor for this structure surpasses the theoretical limit of 4n2 derived under the assumption of ergodic system by multiple times. These results derive directly from the symmetry of the simple cubic lattice and are fundamental in nature, not depending on the material used or on the method of fabrication. The light trapping capability of these PCs has straight-forward applications that would be useful in a variety of areas where increased light-matter interaction is desirable, such as white-light generation, thin-film solar cells, photocatalytic pollutant degradation and hydrogen fuel

Rotary Ultrasonic Machining of Poly-Crystalline Cubic Boron Nitride

Directory of Open Access Journals (Sweden)

Kuruc Marcel

2014-12-01

Full Text Available Poly-crystalline cubic boron nitride (PCBN is one of the hardest material. Generally, so hard materials could not be machined by conventional machining methods. Therefore, for this purpose, advanced machining methods have been designed. Rotary ultrasonic machining (RUM is included among them. RUM is based on abrasive removing mechanism of ultrasonic vibrating diamond particles, which are bonded on active part of rotating tool. It is suitable especially for machining hard and brittle materials (such as glass and ceramics. This contribution investigates this advanced machining method during machining of PCBN.

Methane hydrate dissociation using inverted five-spot water flooding method in cubic hydrate simulator

International Nuclear Information System (INIS)

Li, Gang; Li, Xiao-Sen; Li, Bo; Wang, Yi

2014-01-01

The combination forms of the hydrate dissociation methods in different well systems are divided into 6 main patterns. Dissociation processes of methane hydrate in porous media using the inverted five-spot water flooding method (Pattern 4) are investigated by the experimental observation and numerical simulation. In situ methane hydrate is synthesized in the Cubic Hydrate Simulator (CHS), a 5.832-L cubic reactor. A center vertical well is used as the hot water injection well, while the four vertical wells at the corner are the gas and water production wells. The gas production begins simultaneously with the hot water injection, while after approximately 20 min of compression, the water begins to be produced. One of the common characteristics of the inverted five-spot water flooding method is that both the gas and water production rates decrease with the reduction of the hydrate dissociation rate. The evaluation of the energy efficiency ratio might indicate the inverted five-spot water flooding as a promising gas producing method from the hydrate reservoir. - Highlights: • A three-dimensional 5.8-L cubic pressure vessel is developed. • Gas production of hydrate using inverted five-spot flooding method is studied. • Water/gas production rate and energy efficiency ratio are evaluated. • Temperature distributions of numerical simulation and experiment agree well. • Hydrate dissociation process is a moving boundary problem in this study

International stem cell collaboration: how disparate policies between the United States and the United Kingdom impact research.

Science.gov (United States)

Luo, Jingyuan; Flynn, Jesse M; Solnick, Rachel E; Ecklund, Elaine Howard; Matthews, Kirstin R W

2011-03-08

As the scientific community globalizes, it is increasingly important to understand the effects of international collaboration on the quality and quantity of research produced. While it is generally assumed that international collaboration enhances the quality of research, this phenomenon is not well examined. Stem cell research is unique in that it is both politically charged and a research area that often generates international collaborations, making it an ideal case through which to examine international collaborations. Furthermore, with promising medical applications, the research area is dynamic and responsive to a globalizing science environment. Thus, studying international collaborations in stem cell research elucidates the role of existing international networks in promoting quality research, as well as the effects that disparate national policies might have on research. This study examined the impact of collaboration on publication significance in the United States and the United Kingdom, world leaders in stem cell research with disparate policies. We reviewed publications by US and UK authors from 2008, along with their citation rates and the political factors that may have contributed to the number of international collaborations. The data demonstrated that international collaborations significantly increased an article's impact for UK and US investigators. While this applied to UK authors whether they were corresponding or secondary, this effect was most significant for US authors who were corresponding authors. While the UK exhibited a higher proportion of international publications than the US, this difference was consistent with overall trends in international scientific collaboration. The findings suggested that national stem cell policy differences and regulatory mechanisms driving international stem cell research in the US and UK did not affect the frequency of international collaborations, or even the countries with which the US and UK most

Direct calculation of the spin stiffness on square, triangular and cubic lattices using the coupled cluster method

OpenAIRE

Krüger, S. E.; Darradi, R.; Richter, J.; Farnell, D. J. J

2006-01-01

We present a method for the direct calculation of the spin stiffness by means of the coupled cluster method. For the spin-half Heisenberg antiferromagnet on the square, the triangular and the cubic lattices we calculate the stiffness in high orders of approximation. For the square and the cubic lattices our results are in very good agreement with the best results available in the literature. For the triangular lattice our result is more precise than any other result obtained so far by other a...

Storage characteristics of multiple-donor pooled red blood cells compared to single-donor red blood cell units.

Science.gov (United States)

Mathur, Aabhas; Chowdhury, Raquibul; Hillyer, Christopher D; Mitchell, W Beau; Shaz, Beth H

2016-12-01

Each unit of blood donated is processed and stored individually resulting in variability in the amount of red blood cells (RBCs) collected, RBC properties, and the 24-hour posttransfusion RBC survivability. As a result, each unit differs in its ability to deliver oxygen and potentially its effects on the recipient. The goal of this study was to investigate the storage of pooled RBCs from multiple donors in comparison to control standard RBC units. Two units of irradiated, leukoreduced RBCs of same ABO, D, E, C, and K antigen phenotype were collected from each of five donors using apheresis. One unit from each donor was pooled in a 2-L bag and remaining units were used as controls. After being pooled, RBCs were separated in five bags and stored at 4°C along with the controls. Quality indexes were measured on Days 2, 14, and 28 for all the units. Adenosine triphosphate assays for both pooled and controls showed a slight decrease from Day 2 to Day 28 (pooled/control from 5.22/5.24 to 4.35/4.33 µmol/g hemoglobin [Hb]). 2,3-Diphosphoglycerate was successfully rejuvenated for all RBC units on Day 28 (pooled 11.46 µmol/g Hb; control 11.86 µmol/g Hb). The results showed a nonsignificant difference between pooled and control units, with a general trend of lower standard deviation for pooled units when compared to controls. Pooled units have reduced unit-to-unit variability. Future exploration of their immunogenicity is required before using pooled units for transfusion. © 2016 AABB.

In-house SIRAS phasing of the polyunsaturated fatty-acid isomerase from Propionibacterium acnes

International Nuclear Information System (INIS)

Liavonchanka, Alena; Hornung, Ellen; Feussner, Ivo; Rudolph, Markus

2006-01-01

Low iodide concentrations were sufficient to allow SAD and SIRAS phasing of cubic crystals of a novel fatty acid isomerase using Cu Kα radiation. The polyenoic fatty-acid isomerase from Propionibacterium acnes (PAI) catalyzes the double-bond isomerization of linoleic acid to conjugated linoleic acid, which is a dairy- or meat-derived fatty acid in the human diet. PAI was overproduced in Escherichia coli and purified to homogeneity as a yellow-coloured protein. The nature of the bound cofactor was analyzed by absorption and fluorescence spectroscopy. Single crystals of PAI were obtained in two crystal forms. Cubic shaped crystals belong to space group I2 1 3, with a unit-cell parameter of 160.4 Å, and plate-like crystals belong to the monoclinic space group C2, with unit-cell parameters a = 133.7, b = 60.8, c = 72.2 Å, β = 115.8°. Both crystal forms contain one molecule per asymmetric unit and diffract to a resolution of better than 2.0 Å. Initial phases were obtained by SIRAS from in-house data from a cubic crystal that was soaked with an unusually low KI concentration of 0.25 M

Fuel Cells in Distributed Power Market Applications in the United States

International Nuclear Information System (INIS)

Rastler, D.

2002-01-01

This paper reviews results from EPRI market analysis, which examined the technical and economic market potential of fuel cells in distributed power markets in the United States. A methodology and approach for developing realistic quantitative estimates of market potential in competitive electricity markets is presented. Market size estimates for phosphoric acid, polymer exchange membrane, high temperature fuel cells (carbonate and solid oxide systems) and ultra-high efficient fuel cell hybrids are estimated. Market potentials are reviewed for fuel cells systems ranging in size from 3 kW up to 20-30 MW in scale and underlying assumptions are provided. The results and implications are discussed in relation to the changing U.S. electric utility market structures. Results will be of value to energy companies and to fuel cell developers seeking to understand revenue sales estimates, market size, and most profitable segments for fuel cells in the competitive US electric markets. (author)

Radiation effects in cubic zirconia: A model system for ceramic oxides

Science.gov (United States)

Thomé, L.; Moll, S.; Sattonnay, G.; Vincent, L.; Garrido, F.; Jagielski, J.

2009-06-01

Ceramics are key engineering materials for electronic, space and nuclear industry. Some of them are promising matrices for the immobilization and/or transmutation of radioactive waste. Cubic zirconia is a model system for the study of radiation effects in ceramic oxides. Ion beams are very efficient tools for the simulation of the radiations produced in nuclear reactors or in storage form. In this article, we summarize the work made by combining advanced techniques (RBS/C, XRD, TEM, AFM) to study the structural modifications produced in ion-irradiated cubic zirconia single crystals. Ions with energies in the MeV-GeV range allow exploring the nuclear collision and electronic excitation regimes. At low energy, where ballistic effects dominate, the damage exhibits a peak around the ion projected range; it accumulates with a double-step process by the formation of a dislocation network. At high energy, where electronic excitations are favored, the damage profiles are rather flat up to several micrometers; the damage accumulation is monotonous (one step) and occurs through the creation and overlap of ion tracks. These results may be generalized to many nuclear ceramics.

On the reflection of solitons of the cubic nonlinear Schrödinger equation

KAUST Repository

Katsaounis, Theodoros; Mitsotakis, Dimitrios

2016-01-01

In this paper, we perform a numerical study on the interesting phenomenon of soliton reflection of solid walls. We consider the 2D cubic nonlinear Schrödinger equation as the underlying mathematical model, and we use an implicit-explicit type Crank

Hydrothermal synthesis and white light emission of cubic ZrO2:Eu3+ nanocrystals

International Nuclear Information System (INIS)

Meetei, Sanoujam Dhiren; Singh, Shougaijam Dorendrajit

2014-01-01

Highlights: • White light emitting cubic ZrO 2 :Eu 3+ nanocrystal is synthesized by hydrothermal technique. • Eu 3+ is used to stabilize crystalline phase and to get red counterpart of the white light. • Defect emission and Eu 3+ emission combined to give white light. • The white light emitted from this nanocrystal resembles vertical daylight of the Sun. • Lifetime corresponding to red counterpart of the sample is far longer than conventional white light emitters. -- Abstract: Production of white light has been a promising area of luminescence studies. In this work, white light emitting nanocrystals of cubic zirconia doped with Eu 3+ are synthesized by hydrothermal technique. The dopant Eu 3+ is used to stabilize crystalline phase to cubic and at the same time to get red counterpart of the white light. The synthesis procedure is simple and precursor required no further annealing for crystallization. X-ray diffraction patterns show the crystalline phase of ZrO 2 :Eu 3+ to be cubic and it is confirmed by Fourier Transform Infrared spectroscopy. From transmission electron microscopy images, size of the crystals is found to be ∼5 nm. Photoluminescence emission spectrum of the sample, on monitoring excitation at O 2− –Eu 3+ charge transfer state shows broad peak due to O 2− of the zirconia and that of Eu 3+ emission. Commission Internationale de l’éclairage co-ordinate of this nanocrystal (0.32, 0.34) is closed to that of the ideal white light (0.33, 0.33). Correlated color temperature of the white light (5894 K) is within the range of vertical daylight. Lifetime (1.32 ms) corresponding to 5 D 0 energy level of the Eu 3+ is found to be far longer than conventional red counterparts of white light emitters. It suggests that the ZrO 2 :Eu 3+ nanocrystals synthesized by hydrothermal technique may find applications in simulating the vertical daylight of the Sun

Discrete exterior calculus approach for discretizing Maxwell's equations on face-centered cubic grids for FDTD

Science.gov (United States)

Salmasi, Mahbod; Potter, Michael

2018-07-01

Maxwell's equations are discretized on a Face-Centered Cubic (FCC) lattice instead of a simple cubic as an alternative to the standard Yee method for improvements in numerical dispersion characteristics and grid isotropy of the method. Explicit update equations and numerical dispersion expressions, and the stability criteria are derived. Also, several tools available to the standard Yee method such as PEC/PMC boundary conditions, absorbing boundary conditions, and scattered field formulation are extended to this method as well. A comparison between the FCC and the Yee formulations is made, showing that the FCC method exhibits better dispersion compared to its Yee counterpart. Simulations are provided to demonstrate both the accuracy and grid isotropy improvement of the method.

Analysis of cubic and orthorhombic C3A hydration in presence of gypsum and lime

KAUST Repository

Kirchheim, A. P.; Fernà ndez-Altable, V.; Monteiro, P. J. M.; Dal Molin, D. C. C.; Casanova, I.

2009-01-01

Field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD) have been used to study the microstructural changes and phase development that take place during the hydration of cubic (pure) and orthorhombic (Na-doped) tricalcium aluminate (C3A) and gypsum in the absence and presence of lime. The results demonstrate that important differences occur in the hydration of each C3A polymorph and gypsum when no lime is added; orthorhombic C3A reacts faster with gypsum than the cubic phase, forming longer ettringite needles; however, the presence of lime slows down the formation of ettringite in the orthorhombic sample. Additional rheometric tests showed the possible effects on the setting time in these cementitious mixes.

Analysis of cubic and orthorhombic C3A hydration in presence of gypsum and lime

KAUST Repository

Kirchheim, A. P.

2009-02-26

Field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD) have been used to study the microstructural changes and phase development that take place during the hydration of cubic (pure) and orthorhombic (Na-doped) tricalcium aluminate (C3A) and gypsum in the absence and presence of lime. The results demonstrate that important differences occur in the hydration of each C3A polymorph and gypsum when no lime is added; orthorhombic C3A reacts faster with gypsum than the cubic phase, forming longer ettringite needles; however, the presence of lime slows down the formation of ettringite in the orthorhombic sample. Additional rheometric tests showed the possible effects on the setting time in these cementitious mixes.

Cubic martensite in high carbon steel

Science.gov (United States)

Chen, Yulin; Xiao, Wenlong; Jiao, Kun; Ping, Dehai; Xu, Huibin; Zhao, Xinqing; Wang, Yunzhi

2018-05-01

A distinguished structural characteristic of martensite in Fe-C steels is its tetragonality originating from carbon atoms occupying only one set of the three available octahedral interstitial sites in the body-centered-cubic (bcc) Fe lattice. Such a body-centered-tetragonal (bct) structure is believed to be thermodynamically stable because of elastic interactions between the interstitial carbon atoms. For such phase stability, however, there has been a lack of direct experimental evidence despite extensive studies of phase transformations in steels over one century. In this Rapid Communication, we report that the martensite formed in a high carbon Fe-8Ni-1.26C (wt%) steel at room temperature induced by applied stress/strain has actually a bcc rather than a bct crystal structure. This finding not only challenges the existing theories on the stability of bcc vs bct martensite in high carbon steels, but also provides insights into the mechanism for martensitic transformation in ferrous alloys.

Rhizome of Anemarrhena asphodeloides as mediators of the eco-friendly synthesis of silver and gold spherical, face-centred cubic nanocrystals and its anti-migratory and cytotoxic potential in normal and cancer cell lines.

Science.gov (United States)

Lee, Hyun A; Castro-Aceituno, Veronica; Abbai, Ragavendran; Moon, Seong Soo; Kim, Yeon-Ju; Simu, Shakina Yesmin; Yang, Deok Chun

2018-03-29

The water extract of Anemarrhena asphodeloides, the traditional oriental medicinal plant, mediated the eco-friendly synthesis of silver nanoparticles (Aa-AgNPs) and gold nanoparticles (Aa-AuNPs). First, its therapeutic rhizome was powdered prior to water extraction and then silver, gold nanoparticles were synthesized. Aa-AgNPs and Aa-AuNPs were found to be spherical, face-centred cubic nanocrystals with a Z-average hydrodynamic diameter of 190 and 258 nm, respectively. In addition, proteins and aromatic biomolecules were the plausible players associated with the production and stabilization of Aa-AgNPs; instead, phenolic compounds were responsible for the synthesis and stability of Aa-AuNPs. In vitro cytotoxic analysis revealed that up to 50 μg.mL -1 concentration Aa-AuNPs did not exhibit any toxicity on 3T3-L1, HT29 and MCF7 cell lines, while being specifically cytotoxic to A549 cell line. On the contrary, Aa-AgNPs displayed a significantly higher toxicity in comparison to Aa-AuNPs in all cell lines specially MCF7 cell line. Since cancer cells were more sensitive to Aa-Au/AgNPs treatments, further evaluation was done in order to determine their anticancer potential. Reactive oxygen species (ROS) generation was not affected by Aa-AuNPs, on the other hand, Aa-AgNPs treatment exhibited a higher potential to induce oxidative stress in A549 cells than HT29 and MCF7 cells. In addition, Aa-Ag/AuNPs reduced cell migration in A549 cells at 10 and 50 μg.mL -1 , respectively. So far, this is the only report uncovering the ability of A. asphodeloides to synthesize silver and gold nanoparticles with anticancer potential and also indirectly enabling its large-scale utilization with value addition.

Band offset in zinc oxy-sulfide/cubic-tin sulfide interface from X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sanal, K.C.; Nair, P.K.; Nair, M.T.S., E-mail: mtsn@ier.unam.mx

2017-02-28

Highlights: • Zinc oxy-sulfide thin films, 175–240 nm, deposited by rf-sputtering from targets of ZnO + ZnS. • Oxygen content in thin films is enhanced 3–4 times compared with that in ZnO:ZnS targets. • Thin film ZnO{sub x}S{sub 1−x} with x = 0.88–0.27 and optical band gap 2.8–3.2 eV is suitable for solar cells. • The conduction band offset with SnS of cubic structure studied by XPS are +0.41 to −0.28 eV. - Abstract: Zinc oxy-sulfide, ZnO{sub x}S{sub 1−x}, has been found to provide better band alignment in thin film solar cells of tin sulfide of orthorhombic crystalline structure. Here we examine ZnO{sub x}S{sub 1−x}/SnS-CUB interface, in which the ZnO{sub x}S{sub 1−x} thin film was deposited by radio frequency (rf) magnetron sputtering on SnS thin film of cubic (CUB) crystalline structure with a band gap (E{sub g}) of 1.72 eV, obtained via chemical deposition. X-ray photoelectron spectroscopy provides the valence band maxima of the materials and hence places the conduction band offset of 0.41 eV for SnS-CUB/ZnO{sub 0.27}S{sub 0.73} and −0.28 eV for SnS-CUB/ZnO{sub 0.88}S{sub 0.12} interfaces. Thin films of ZnO{sub x}S{sub 1−x} with 175–240 nm in thickness were deposited from targets prepared with different ZnO to ZnS molar ratios. With the target of molar ratio of 1:13.4, the thin films are of composition ZnO{sub 0.27}S{sub 0.73} with hexagonal crystalline structure and with that of 1:1.7 ratio, it is ZnO{sub 0.88}S{sub 0.12}. The optical band gap of the ZnO{sub x}S{sub 1−x} thin films varies from 2.90 eV to 3.21 eV as the sulfur to zinc ratio in the film increases from 0.12:1 to 0.73:1 as determined from X-ray diffraction patterns. Thus, band offsets sought for absorber materials and zinc oxy-sulfide in solar cells may be achieved through a choice of ZnO:ZnS ratio in the sputtering target.

Morphology control and negative thermal expansion in cubic ZrWMoO8 powders

International Nuclear Information System (INIS)

Liu, Qinqin; Yang, Juan; Sun, Xiujuan; Cheng, Xiaonong

2008-01-01

Cubic ZrWMoO 8 powders with rod-like aggregate and thin fasciculus-like and flower-like rod cluster morphologies have been successfully fabricated with different amounts of (NH 4 ) 2 HPO 4 as surfactant using a hydrothermal method. X-ray powder diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy and differential scanning calorimetry were utilized to investigate the influence of the addition of (NH 4 ) 2 HPO 4 on the crystallization process and crystal morphology of the resulting products. The results show that the purity and the thermal expansion property of the resulting products are not influenced by the addition of (NH 4 ) 2 HPO 4 . The cubic ZrWMoO 8 powders with both rod-like aggregate and flower-like rod cluster morphologies show a positive thermal expansion property in the temperature range from room temperature to 120 C, while they show a negative thermal expansion property in the temperature range from 120 C to 700 C. The abnormal thermal expansion property of cubic ZrWMoO 8 below 120 C is caused by the presence of water molecules. Investigations also show that the essence of the different morphologies of the ZrWMoO 8 particles obtained is the result of the different aggregation modes of the nanorods, which act as nuclei, and the corresponding aggregation process is dominated by the addition of (NH 4 ) 2 HPO 4 and its amount. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Ground-state ordering of the J1-J2 model on the simple cubic and body-centered cubic lattices

Science.gov (United States)

Farnell, D. J. J.; Götze, O.; Richter, J.

2016-06-01

The J1-J2 Heisenberg model is a "canonical" model in the field of quantum magnetism in order to study the interplay between frustration and quantum fluctuations as well as quantum phase transitions driven by frustration. Here we apply the coupled cluster method (CCM) to study the spin-half J1-J2 model with antiferromagnetic nearest-neighbor bonds J1>0 and next-nearest-neighbor bonds J2>0 for the simple cubic (sc) and body-centered cubic (bcc) lattices. In particular, we wish to study the ground-state ordering of these systems as a function of the frustration parameter p =z2J2/z1J1 , where z1 (z2) is the number of nearest (next-nearest) neighbors. We wish to determine the positions of the phase transitions using the CCM and we aim to resolve the nature of the phase transition points. We consider the ground-state energy, order parameters, spin-spin correlation functions, as well as the spin stiffness in order to determine the ground-state phase diagrams of these models. We find a direct first-order phase transition at a value of p =0.528 from a state of nearest-neighbor Néel order to next-nearest-neighbor Néel order for the bcc lattice. For the sc lattice the situation is more subtle. CCM results for the energy, the order parameter, the spin-spin correlation functions, and the spin stiffness indicate that there is no direct first-order transition between ground-state phases with magnetic long-range order, rather it is more likely that two phases with antiferromagnetic long range are separated by a narrow region of a spin-liquid-like quantum phase around p =0.55 . Thus the strong frustration present in the J1-J2 Heisenberg model on the sc lattice may open a window for an unconventional quantum ground state in this three-dimensional spin model.

The Boolean Algebra of Cubical Areas as a Tensor Product in the Category of Semilattices with Zero

Directory of Open Access Journals (Sweden)

Nicolas Ninin

2014-10-01

Full Text Available In this paper we describe a model of concurrency together with an algebraic structure reflecting the parallel composition. For the sake of simplicity we restrict to linear concurrent programs i.e. the ones with no loops nor branching. Such programs are given a semantics using cubical areas. Such a semantics is said to be geometric. The collection of all these cubical areas enjoys a structure of tensor product in the category of semi-lattice with zero. These results naturally extend to fully fledged concurrent programs up to some technical tricks.

Type II dehydroquinase: molecular replacement with many copies

International Nuclear Information System (INIS)

Stewart, Kirsty Anne; Robinson, David Alexander; Lapthorn, Adrian Jonathan

2007-01-01

The type II dehydroquinase enzyme is a symmetrical dodecameric protein which crystallizes in either high-symmetry cubic space groups or low-symmetry crystal systems with multiple copies in the asymmetric unit. Both systems have provided challenging examples for molecular replacement; for example, a triclinic crystal form has 16 dodecamers (192 monomers) in the unit cell. Three difficult examples are discussed and two are used as test cases to compare the performance of four commonly used molecular-replacement packages. Type II dehydroquinase is a small (150-amino-acid) protein which in solution packs together to form a dodecamer with 23 cubic symmetry. In crystals of this protein the symmetry of the biological unit can be coincident with the crystallographic symmetry, giving rise to cubic crystal forms with a single monomer in the asymmetric unit. In crystals where this is not the case, multiple copies of the monomer are present, giving rise to significant and often confusing noncrystallographic symmetry in low-symmetry crystal systems. These different crystal forms pose a variety of challenges for solution by molecular replacement. Three examples of structure solutions, including a highly unusual triclinic crystal form with 16 dodecamers (192 monomers) in the unit cell, are described. Four commonly used molecular-replacement packages are assessed against two of these examples, one of high symmetry and the other of low symmetry; this study highlights how program performance can vary significantly depending on the given problem. In addition, the final refined structure of the 16-dodecamer triclinic crystal form is analysed and shown not to be a superlattice structure, but rather an F-centred cubic crystal with frustrated crystallographic symmetry

Structure and phase transition of BiFeO{sub 3} cubic micro-particles prepared by hydrothermal method

Energy Technology Data Exchange (ETDEWEB)

Zhou, Jian-Ping, E-mail: zhoujp@snnu.edu.cn [College of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Yang, Ruo-Lin; Xiao, Rui-Juan; Chen, Xiao-Ming [College of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Deng, Chao-Yong [Department of Electronic Science, Guizhou University, Guizhou Guiyang 550025 (China)

2012-11-15

Graphical abstract: Bismuth ferrite (BiFeO{sub 3}) cubic micro-particles with smooth surfaces were synthesized. BiFeO{sub 3} has a hexagonal perovskite structure with a space group R3c below 370 °C and rhombohedral perovskite structure with a space group R3m below 755 °C, undergoes a phase transition in the temperature range of 755–817 °C to a cubic structure, then decompose to liquid and Fe{sub 2}O{sub 3} above 939 °C. Highlights: ► BiFeO{sub 3} micro-particles with smooth surface were synthesized by hydrothermal method. ► BiFeO{sub 3} enjoys hexagonal structure with well element ratio and chemical valence. ► BiFeO{sub 3} transition from rhombohedral phase to cubic phase lasts 60 °C. -- Abstract: Single-phase bismuth ferrite (BiFeO{sub 3}) powders were synthesized with a hydrothermal method by controlling the experimental conditions carefully. The powder structure, morphology and composition were characterized by using X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscope, Raman measurement and X-ray photoelectron spectroscopy. The particles change from irregular agglomerations to regular cubes with increasing KOH concentration. The large BiFeO{sub 3} cubic particles enjoy much smooth surfaces with well-matched element ratio (Bi:Fe:O = 1:1:3) and chemical valence (Bi{sup 3+}, Fe{sup 3+} and O{sup 2−}). The high temperature XRD and differential scanning calorimetry show that BiFeO{sub 3} powders have a hexagonal perovskite structure with a space group R3c below 370 °C and a rhombohedral structure with a space group R3m below 755 °C. BiFeO{sub 3} undergoes a phase transition in the temperature range of 755–817 °C from rhombohedral structure to a cubic phase, then decomposes to liquid and Fe{sub 2}O{sub 3} above 939 °C.

Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting.

Science.gov (United States)

Goel, Saurav; Luo, Xichun; Reuben, Robert L; Rashid, Waleed Bin

2011-11-11

Cubic silicon carbide (SiC) is an extremely hard and brittle material having unique blend of material properties which makes it suitable candidate for microelectromechanical systems and nanoelectromechanical systems applications. Although, SiC can be machined in ductile regime at nanoscale through single-point diamond turning process, the root cause of the ductile response of SiC has not been understood yet which impedes significant exploitation of this ceramic material. In this paper, molecular dynamics simulation has been carried out to investigate the atomistic aspects of ductile response of SiC during nanometric cutting process. Simulation results show that cubic SiC undergoes sp3-sp2 order-disorder transition resulting in the formation of SiC-graphene-like substance with a growth rate dependent on the cutting conditions. The disorder transition of SiC causes the ductile response during its nanometric cutting operations. It was further found out that the continuous abrasive action between the diamond tool and SiC causes simultaneous sp3-sp2 order-disorder transition of diamond tool which results in graphitization of diamond and consequent tool wear.

Defect ordering in aliovalently doped cubic zirconia from first principles

International Nuclear Information System (INIS)

Bogicevic, A.; Wolverton, C.; Crosbie, G.M.; Stechel, E.B.

2001-01-01

Defect ordering in aliovalently doped cubic-stabilized zirconia is studied using gradient corrected density-functional calculations. Intra- and intersublattice ordering interactions are investigated for both cation (Zr and dopant ions) and anion (oxygen ions and vacancies) species. For yttria-stabilized zirconia, the crystal structure of the experimentally identified, ordered compound δ-Zr 3 Y 4 O 12 is established, and we predict metastable zirconia-rich ordered phases. Anion vacancies repel each other at short separations, but show an energetic tendency to align as third-nearest neighbors along directions. Calculations with divalent (Be, Mg, Ca, Sr, Ba) and trivalent (Y, Sc, B, Al, Ga, In) oxides show that anion vacancies prefer to be close to the smaller of the cations (Zr or dopant ion). When the dopant cation is close in size to Zr, the vacancies show no particular preference, and are thus less prone to be bound preferentially to any particular cation type when the vacancies traverse such oxides. This ordering tendency offers insight into the observed high conductivity of Y 2 O 3 - and Sc 2 O 3 -stabilized zirconia, as well as recent results using, e.g., lanthanide oxides. The calculations point to In 2 O 3 as a particularly promising stabilizer for high ionic conductivity. Thus we are able to directly link (thermodynamic) defect ordering to (kinetic) ionic conductivity in cubic-stabilized zirconia using first-principles atomistic calculations

Explicit Gaussian quadrature rules for C^1 cubic splines with symmetrically stretched knot sequence

KAUST Repository

Ait-Haddou, Rachid; Barton, Michael; Calo, Victor M.

2015-01-01

We provide explicit expressions for quadrature rules on the space of C^1 cubic splines with non-uniform, symmetrically stretched knot sequences. The quadrature nodes and weights are derived via an explicit recursion that avoids an intervention

Unit-cell refinement from powder diffraction scans

International Nuclear Information System (INIS)

Pawley, G.S.

1981-01-01

A procedure for the refinement of the crystal unit cell from a powder diffraction scan is presented. In this procedure knowledge of the crystal structure is not required, and at the end of the refinement a list of indexed intensities is produced. This list may well be usable as the starting point for the application of direct methods. The problems of least-squares ill-conditioning due to overlapping reflections are overcome by constraints. An example using decafluorocyclohexene, C 6 F 10 , shows the quality of fit obtained in a case which may even be a false minimum. The method should become more relevant as powder scans of improved resolution become available, through the use of pulsed neutron sources. (Auth.)

Unit-cell design for two-dimensional phase-field simulation of microstructure evolution in single-crystal Ni-based superalloys during solidification

Directory of Open Access Journals (Sweden)

Dongjia Cao

2017-12-01

Full Text Available Phase-field simulation serves as an effective tool for quantitative characterization of microstructure evolution in single-crystal Ni-based superalloys during solidification nowadays. The classic unit cell is either limited to γ dendrites along crystal orientation or too ideal to cover complex morphologies for γ dendrites. An attempt to design the unit cell for two-dimensional (2-D phase-field simulations of microstructure evolution in single-crystal Ni-based superalloys during solidification was thus performed by using the MICRESS (MICRostructure Evolution Simulation Software in the framework of the multi-phase-field (MPF model, and demonstrated in a commercial TMS-113 superalloy. The coupling to CALPHAD (CALculation of PHAse Diagram thermodynamic database was realized via the TQ interface and the experimental diffusion coefficients were utilized in the simulation. Firstly, the classic unit cell with a single γ dendrite along crystal orientation was employed for the phase-field simulation in order to reproduce the microstructure features. Then, such simple unit cell was extended into the cases with two other different crystal orientations, i.e., and . Thirdly, for crystal orientations, the effect of γ dendritic orientations and unit cell sizes on microstructure and microsegregation was comprehensively studied, from which a new unit cell with multiple γ dendrites was proposed. The phase-field simulation with the newly proposed unit cell was further performed in the TMS-113 superalloy, and the microstructure features including the competitive growth of γ dendrites, microsegregation of different solutes and distribution of γ′ grains, can be nicely reproduced.

Determination of asphaltene onset conditions using the cubic plus association equation of state

DEFF Research Database (Denmark)

Arya, Alay; von Solms, Nicolas; Kontogeorgis, Georgios M.

2015-01-01

The cubic-plus-association (CPA) equation of state (EoS) has already been proven to be a successful model for phase equilibrium calculations for systems containing associating components and has already been applied for asphaltene modeling by few researchers. In the present work, we apply the CPA...

Complete three-dimensional photonic bandgap in a simple cubic structure

International Nuclear Information System (INIS)

Lin, Shawn-Yu; Fleming, J. G.; Lin, Robin; Sigalas, M. M.; Biswas, R.; Ho, K. M.

2001-01-01

The creation of a three-dimensional (3D) photonic crystal with simple cubic (sc) symmetry is important for applications in the signal routing and 3D waveguiding of light. With a simple stacking scheme and advanced silicon processing, a 3D sc structure was constructed from a 6-in. silicon wafer. The sc structure is experimentally shown to have a complete 3D photonic bandgap in the infrared wavelength. The finite size effect is also observed, accounting for a larger absolute photonic bandgap

Droplet and bubble nucleation modeled by density gradient theory – cubic equation of state versus saft model

Directory of Open Access Journals (Sweden)

Hrubý Jan

2012-04-01

Full Text Available The study presents some preliminary results of the density gradient theory (GT combined with two different equations of state (EoS: the classical cubic equation by van der Waals and a recent approach based on the statistical associating fluid theory (SAFT, namely its perturbed-chain (PC modification. The results showed that the cubic EoS predicted for a given surface tension the density profile with a noticeable defect. Bulk densities predicted by the cubic EoS differed as much as by 100 % from the reference data. On the other hand, the PC-SAFT EoS provided accurate results for density profile and both bulk densities in the large range of temperatures. It has been shown that PC-SAFT is a promising tool for accurate modeling of nucleation using the GT. Besides the basic case of a planar phase interface, the spherical interface was analyzed to model a critical cluster occurring either for nucleation of droplets (condensation or bubbles (boiling, cavitation. However, the general solution for the spherical interface will require some more attention due to its numerical difficulty.

The effect of hydrostatic pressure on the physical properties of magnesium arsenide in cubic and hexagonal phases

Energy Technology Data Exchange (ETDEWEB)

Mokhtari, Ali, E-mail: mokhtari@sci.sku.ac.i [Simulation Laboratory, Department of Physics, Faculty of Science, Shahrekord University, P. B. 115, Shahrekord (Iran, Islamic Republic of); Sedighi, Matin [Simulation Laboratory, Department of Physics, Faculty of Science, Shahrekord University, P. B. 115, Shahrekord (Iran, Islamic Republic of)

2010-04-01

Full potential-linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT) was applied to study the structural and electronic properties of the magnesium arsenide in both cubic and hexagonal phases. The exchange-correlation functional was approximated as a generalized gradient functional introduced by Perdew-Burke-Ernzerhof (GGA96) and Engel-Vosko (EV-GGA). The lattice parameters, bulk modulus and its pressure derivative, cohesive energy, band structures and effective mass of electrons and holes (EME and EMH) were obtained and compared to the available experimental and theoretical results. A phase transition was predicted at pressure of about 1.63 GPa from the cubic to the hexagonal phase. The effect of hydrostatic pressure on the behavior of the electronic properties such as band gap, valence bandwidths, anti-symmetry gap (the energy gap between two parts of the valence bands), EME and EMH were investigated using both GGA96 and EV-GGA methods. High applied pressure can decrease (increase) the holes mobility of cubic (hexagonal) phase of this compound.

The effect of hydrostatic pressure on the physical properties of magnesium arsenide in cubic and hexagonal phases

International Nuclear Information System (INIS)

Mokhtari, Ali; Sedighi, Matin

2010-01-01

Full potential-linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT) was applied to study the structural and electronic properties of the magnesium arsenide in both cubic and hexagonal phases. The exchange-correlation functional was approximated as a generalized gradient functional introduced by Perdew-Burke-Ernzerhof (GGA96) and Engel-Vosko (EV-GGA). The lattice parameters, bulk modulus and its pressure derivative, cohesive energy, band structures and effective mass of electrons and holes (EME and EMH) were obtained and compared to the available experimental and theoretical results. A phase transition was predicted at pressure of about 1.63 GPa from the cubic to the hexagonal phase. The effect of hydrostatic pressure on the behavior of the electronic properties such as band gap, valence bandwidths, anti-symmetry gap (the energy gap between two parts of the valence bands), EME and EMH were investigated using both GGA96 and EV-GGA methods. High applied pressure can decrease (increase) the holes mobility of cubic (hexagonal) phase of this compound.

Composite Bipolar Plate for Unitized Fuel Cell/Electrolyzer Systems

Science.gov (United States)

Mittelsteadt, Cortney K.; Braff, William

2009-01-01

In a substantial improvement over present alkaline systems, an advanced hybrid bipolar plate for a unitized fuel cell/electrolyzer has been developed. This design, which operates on pure feed streams (H2/O2 and water, respectively) consists of a porous metallic foil filled with a polymer that has very high water transport properties. Combined with a second metallic plate, the pore-filled metallic plates form a bipolar plate with an empty cavity in the center.

Theoretical study on recoilless fractions of simple cubic monatomic nanocrystalline particles

International Nuclear Information System (INIS)

Huang Jianping; Wang Luya

2002-01-01

Recoilless fractions of simple cubic monatomic nanocrystalline particles are calculated by using displacement-displacement Green's function. The numerical results show that the recoilless fractions on the surface of monatomic nanocrystalline particles are smaller than those in the inner, and they decrease when the particle size increase, the recoilless fractions of whole monatomic nanocrystalline particles increase when the particle size increase. These effects are more evident when the temperature is higher

Nano- and microsized cubic gel particles from cyclodextrin metal-organic frameworks.

Science.gov (United States)

Furukawa, Yuki; Ishiwata, Takumi; Sugikawa, Kouta; Kokado, Kenta; Sada, Kazuki

2012-10-15

Sweet cube o' mine: Bottom-up control of gel particles has been regarded as a great challenge. By employing internal cross-linking of cyclodextrin metal-organic frameworks, cubic sugar gels were formed with sharp edges that reflect the shape of the crystals. This enabled the fabrication of shape- and size-controlled polymer gels from porous crystals (see picture). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vapor-liquid equilibrium prediction with pseudo-cubic equation of state for binary mixtures containing hydrogen, helium, or neon

Energy Technology Data Exchange (ETDEWEB)

Kato, M.; Tanaka, H. (Nihon Univ.,Fukushima, (Japan). Faculty of Enineering)

1990-03-01

As an equation of state of vapor-liquid equilibrium, an original pseudo-cubic equation of state was previously proposed by the authors of this report and its study is continued. In the present study, new effective critical values of hydrogen, helium and neon were determined empirically from vapor-liquid equilibrium data of literature values against their critical temperatures, critical pressures and critical volumes. The vapor-liquid equilibrium relations of binary system quantum gas mixtures were predicted combining the conventinal pseudo-cubic equation of state and the new effective critical values, and without using binary heteromolecular interaction parameter. The predicted values of hydrogen-ethylene, helium-propane and neon-oxygen systems were compared with literature values. As a result, it was indicated that the vapor-liquid relations of binary system mixtures containing hydrogen, helium and neon can be predicted with favorable accuracy combining the effective critical values and the three parameter pseudo-cubic equation of state. 37 refs., 3 figs., 4 tabs.

Trends in US minority red blood cell unit donations.

Science.gov (United States)

Yazer, Mark H; Delaney, Meghan; Germain, Marc; Karafin, Matthew S; Sayers, Merlyn; Vassallo, Ralph; Ziman, Alyssa; Shaz, Beth

2017-05-01

To provide the appropriately diverse blood supply necessary to support alloimmunized and chronically transfused patients, minority donation recruitment programs have been implemented. This study investigated temporal changes in minority red blood cell (RBC) donation patterns in the United States. Data on donor race and ethnicity from 2006 through 2015, including the number of unique donors, collections, RBCs successfully donated, and average annual number of RBC donations per donor (donor fraction), were collected from eight US blood collectors. Minority donors were stratified into the following groups: Asian, black or African American, Hispanic or Latino, Native Indian or Alaska Native, Native Hawaiian or other Pacific Islander, white, multiracial/other, and no answer/not sure. Over the 10-year period, white donors annually constituted the majority of unique donors (range, 70.7%-73.9%), had the greatest proportion of collections (range, 76.1%-79.8%), and donated the greatest proportion of RBC units (range, 76.3%-80.2%). These donors also had the highest annual donor fraction (range, 1.82-1.91 units per donor). Black or African American donors annually constituted between 4.9 and 5.2% of all donors during the study period and donated between 4.0 and 4.3% of all RBC units. Linear regression analysis revealed decreasing numbers of donors, collections, and donated RBC units from white donors over time. Although the US population has diversified, and minority recruitment programs have been implemented, white donors constitute the majority of RBC donors and donations. Focused and effective efforts are needed to increase the proportion of minority donors. © 2017 AABB.

Quasi bound states in the continuum with few unit cells of photonic crystal slab

DEFF Research Database (Denmark)

Taghizadeh, Alireza; Chung, Il-Sug

2017-01-01

cell structures. They are explained by a viewpoint of BICs originating from the tight-binding of individual resonances of each unit cell as in semiconductors. Combined with a reciprocal-space matching technique, the microcavities based on quasi-BICs can achieve a Q-factor as high as defect-based Ph...

Cubic Zig-Zag Enrichment of the Classical Kirchhoff Kinematics for Laminated and Sandwich Plates

Science.gov (United States)

Nemeth, Michael P.

2012-01-01

A detailed anaylsis and examples are presented that show how to enrich the kinematics of classical Kirchhoff plate theory by appending them with a set of continuous piecewise-cubic functions. This analysis is used to obtain functions that contain the effects of laminate heterogeneity and asymmetry on the variations of the inplane displacements and transverse shearing stresses, for use with a {3, 0} plate theory in which these distributions are specified apriori. The functions used for the enrichment are based on the improved zig-zag plate theory presented recently by Tessler, Di Scuva, and Gherlone. With the approach presented herein, the inplane displacements are represented by a set of continuous piecewise-cubic functions, and the transverse shearing stresses and strains are represented by a set of piecewise-quadratic functions that are discontinuous at the ply interfaces.

A probabilistic model of the electron transport in films of nanocrystals arranged in a cubic lattice

Energy Technology Data Exchange (ETDEWEB)

Kriegel, Ilka [Department of Nanochemistry, Istituto Italiano di Tecnologia (IIT), via Morego, 30, 16163 Genova (Italy); Scotognella, Francesco, E-mail: francesco.scotognella@polimi.it [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Center for Nano Science and Technology@PoliMi, Istituto Italiano di Tecnologia, Via Giovanni Pascoli, 70/3, 20133 Milan (Italy)

2016-08-01

The fabrication of nanocrystal (NC) films, starting from colloidal dispersion, is a very attractive topic in condensed matter physics community. NC films can be employed for transistors, light emitting diodes, lasers, and solar cells. For this reason the understanding of the film conductivity is of major importance. In this paper we describe a probabilistic model that allows the prediction of the conductivity of NC films, in this case of a cubic lattice of Lead Selenide or Cadmium Selenide NCs. The model is based on the hopping probability between NCs. The results are compared to experimental data reported in literature. - Highlights: • Colloidal nanocrystal (NC) film conductivity is a topic of major importance. • We present a probabilistic model to predict the electron conductivity in NC films. • The model is based on the hopping probability between NCs. • We found a good agreement between the model and data reported in literature.

Stability of cubic zirconia in a granitic system under high pressure and temperature

International Nuclear Information System (INIS)

Gibb, F. G. F.; Burakov, B. E.; Taylor, K. J.; Domracheva, Y.

2008-01-01

Cubic zirconia is a well known, highly durable material with potential uses as an actinide host phase in ceramic waste forms and inert matrix fuels and in containers for very deep borehole disposal of some highly radioactive wastes. To investigate the behaviour of this material under the conditions of possible use, a cube of ∼2.5 mm edge was made from a single crystal of Yttria stabilized cubic zirconia doped with 0.3 wt.% CeO 2 . The cube was enclosed in powdered granite within a gold capsule and a small amount of H 2 O added before sealing. The sealed capsule was held for 4 months in a cold-seal pressure vessel at a temperature of 780 deg. C and a pressure 150 MPa, simulating both the conditions of a deep borehole disposal involving partial melting of the host rock and the conditions under which the actinide waste form might be encapsulated in granite prior to disposal. At the end of the experiment the quenched, largely glassy, sample was cut into thin slices and studied by optical microscopy, EMPA, SEM and cathodoluminescence methods. The results show that no corrosion of the zirconia crystal or reaction with the granite melt occurred and that no detectable diffusion of elements, including Ce, in or out of the zirconia took place on the timescale of the experiment. Consequently, it appears that cubic zirconia could perform most satisfactorily as both an actinide host waste form for encapsulation in solid granite for very deep disposal and as a container material for deep borehole disposal of highly radioactive wastes (HLW), including spent fuel. (authors)

The Daniell Cell, Ohm's Law and the Emergence of the International System of Units

OpenAIRE

Jayson, Joel S.

2015-01-01

Telegraphy originated in the 1830s and 40s and flourished in the following decades, but with a patchwork of electrical standards. Electromotive force was for the most part measured in units of the predominant Daniell cell. Each company had their own resistance standard. In 1862 the British Association for the Advancement of Science formed a committee to address this situation. By 1873 they had given definition to the electromagnetic system of units (emu) and defined the practical units of the...

Diffusion of single Au, Ag and Cu atoms inside Si(111)-(7 × 7) half unit cells: A comparative study

Energy Technology Data Exchange (ETDEWEB)

Liu, Qin [Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China); Department of Physics, The Chinese University of Hong Kong, Shatin, New Territory, Hong Kong (China); Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang, Sichuan 621908 (China); Fu, Qiang [Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin (Germany); Shao, Xiji; Ma, Xuhang; Wu, Xuefeng [Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China); Wang, Kedong, E-mail: wangkd@sustc.edu.cn [Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China); Xiao, Xudong, E-mail: xdxiao@phy.cuhk.edu.hk [Department of Physics, The Chinese University of Hong Kong, Shatin, New Territory, Hong Kong (China)

2017-04-15

Highlights: • Diffusions of Au, Ag and Cu atoms in the half unit cells of Si(111)-(7×7) have been studied by using a STM-based I-t method. • Despite their similar absorption sites, the diffusion dynamics show obvious differences between Ag and the other two. • Theoretical calculations suggest that different potential energy profiles are responsible for the observed differences. - Abstract: The diffusion behaviors of single Au, Ag and Cu atoms on Si(111)-(7 × 7) half unit cells have been investigated via combining scanning tunneling microscopy and first-principles calculations. Despite the similar adsorption sites between both half unit cells among these elements, the diffusion dynamics show obvious differences between Ag and the other two. Although obvious asymmetry has been found in the diffusion behaviors of Au and Cu atoms in two half unit cells of Si(111)-(7 × 7), the asymmetry behaves in a way different from that of Ag atoms and no dual-time character has been observed for the diffusions of Au and Cu in both half unit cells. Theoretical calculations suggest a different potential energy profile caused by the stronger hybridization between d states of Au (Cu) and Si states make the concept of basin useless for the diffusion of Au and Cu atoms inside the half unit cells of Si(111)-(7 × 7).

Topological Characterization of Carbon Graphite and Crystal Cubic Carbon Structures.

Science.gov (United States)

Siddiqui, Wei Gao Muhammad Kamran; Naeem, Muhammad; Rehman, Najma Abdul

2017-09-07

Graph theory is used for modeling, designing, analysis and understanding chemical structures or chemical networks and their properties. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms called edges. In this article, we study the chemical graphs of carbon graphite and crystal structure of cubic carbon. Moreover, we compute and give closed formulas of degree based additive topological indices, namely hyper-Zagreb index, first multiple and second multiple Zagreb indices, and first and second Zagreb polynomials.

Flow field measurements in the cell culture unit

Science.gov (United States)

Walker, Stephen; Wilder, Mike; Dimanlig, Arsenio; Jagger, Justin; Searby, Nancy

2002-01-01

The cell culture unit (CCU) is being designed to support cell growth for long-duration life science experiments on the International Space Station (ISS). The CCU is a perfused loop system that provides a fluid environment for controlled cell growth experiments within cell specimen chambers (CSCs), and is intended to accommodate diverse cell specimen types. Many of the functional requirements depend on the fluid flow field within the CSC (e.g., feeding and gas management). A design goal of the CCU is to match, within experimental limits, all environmental conditions, other than the effects of gravity on the cells, whether the hardware is in microgravity ( micro g), normal Earth gravity, or up to 2g on the ISS centrifuge. In order to achieve this goal, two steps are being taken. The first step is to characterize the environmental conditions of current 1g cell biology experiments being performed in laboratories using ground-based hardware. The second step is to ensure that the design of the CCU allows the fluid flow conditions found in 1g to be replicated from microgravity up to 2g. The techniques that are being used to take these steps include flow visualization, particle image velocimetry (PIV), and computational fluid dynamics (CFD). Flow visualization using the injection of dye has been used to gain a global perspective of the characteristics of the CSC flow field. To characterize laboratory cell culture conditions, PIV is being used to determine the flow field parameters of cell suspension cultures grown in Erlenmeyer flasks on orbital shakers. These measured parameters will be compared to PIV measurements in the CSCs to ensure that the flow field that cells encounter in CSCs is within the bounds determined for typical laboratory experiments. Using CFD, a detailed simulation is being developed to predict the flow field within the CSC for a wide variety of flow conditions, including microgravity environments. Results from all these measurements and analyses of the

Replacement of the moderator cell unit of JRR-3's cold neutron source facility

International Nuclear Information System (INIS)

Hazawa, Tomoya; Nagahori, Kazuhisa; Kusunoki, Tsuyoshi

2006-10-01

The moderator cell of the JRR-3's cold neutron source (CNS) facility, converts thermal neutrons into cold neutrons by passing through liquid cold hydrogen. The cold neutrons are used for material and life science research such as the neutron scattering. The CNS has been operated since the start of JRR-3's in 1990. The moderator cell containing liquid hydrogen is made of stainless steel. The material irradiation lifetime is limited to 7 years due to irradiation brittleness. The first replacement was done by using a spare part made in France. This replacement work of 2006 was carried out by using the domestic moderator cell unit. The following technologies were developed for the moderator cell unit production. 1) Technical development of black treatment on moderator cell surface to increase radiation heat. 2) Development of bending technology of concentric triple tubes consisting from inside tube, Outside tube and Vacuum insulation tube. 3) Development of manufacturing technique of the moderator cell with complicated shapes. According to detail planed work procedures, replacement work was carried out. As results, the working days were reduced to 80% of old ones. The radiation dose was also reduced due to reduction of working days. It was verified by measurement of neutrons characteristics that the replaced moderator cell has the same performance as that of the old moderator cell. The domestic manufacturing of the moderator cell was succeeded. As results, the replacement cost was reduced by development of domestic production technology. (author)

First-principles prediction of structural, elastic, electronic and thermodynamic properties of the cubic SrUO{sub 3}-Perovskite

Energy Technology Data Exchange (ETDEWEB)

Sahli, B. [Laboratoire de Génie Physique, Université Ibn Khaldoun, Tiaret, 14000 (Algeria); Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes 22000 (Algeria); Bouafia, H., E-mail: hamza.tssm@gmail.com [Laboratoire de Génie Physique, Université Ibn Khaldoun, Tiaret, 14000 (Algeria); Abidri, B.; Abdellaoui, A. [Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes 22000 (Algeria); Hiadsi, S.; Akriche, A. [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université des Sciences et de la Technologie Mohamed Boudiaf, département de Génie Physique, BP1505 El m’naouar, Oran (Algeria); Benkhettou, N.; Rached, D. [Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes 22000 (Algeria)

2015-06-25

Highlights: • The ground state properties of SrUO{sub 3}-Perovskite were investigated. • Elastic constants and their related parameters were calculated. • Electronic properties are treated using GGA-PBEsol + U approach. - Abstract: In this paper, we investigate bulk properties of the cubic SrUO{sub 3}-Perovskite in their nonmagnetic (NM), antiferromagnetic (AFM) and ferromagnetic (FM) states using all-electron self consistent Full Potential Augmented Plane Waves plus local orbital (FP-(L)APW + lo) method within PBEsol Generalized Gradiant density approximations. Our calculation allowed us to predict that the more stable magnetic state of the cubic SrUO{sub 3}-Perovskite is that of the ferromagnetic (FM). This work is the first prediction of elastic constants and their related parameters (Young modulus, shear modulus, Poisson ratio, Zener anisotropy and the Debye temperature) for this cubic compound using Mehl method. We have employed the GGA(PBEsol) and GGA(PBEsol) + U to investigate the electronic band structure, density of states and electronic charge density of SrUO{sub 3}-Perovskite. The electronic band structure calculations revealed that SrUO{sub 3} exhibits metallic behavior. On the other hand the charge density plots for [1 1 0] direction indicates a strong ionic character along the Sr–O bond while the U–O bond has strong covalent character. Finally, we have analyzed the thermodynamic properties using the quasi-harmonic Debye model to complete the fundamental characterization of cubic SrUO{sub 3}-Perovskite.

Fuel cell collaboration in the United States. Follow up report to the Danish Partnership for Hydrogen and Fuel Cells

Energy Technology Data Exchange (ETDEWEB)

NONE

2013-01-15

Fuel cell technology continues to grow in the United States, with strong sales in stationary applications and early markets such as data centers, materials handling equipment, and telecommunications sites. New fuel cell customers include Fortune 500 companies Apple, eBay, Coca-Cola, and Walmart, who will use fuel cells to provide reliable power to data centers, stores, and facilities. Some are purchasing multi-megawatt (MW) systems, including three of the largest non-utility purchases of stationary fuel cells in the world by AT and T, Apple and eBay - 17 MW, 10 MW and 6 MW respectively. Others are replacing fleets of battery forklifts with fuel cells. Sysco, the food distributor, has more than 700 fuel cell-powered forklifts operating at seven facilities, with more on order. Mega-retailer Walmart now operates more than 500 fuel cell forklifts at three warehouses, including a freezer facility. Although federal government budget reduction efforts are impacting a wide range of departments and programs, fuel cell and hydrogen technology continues to be funded, albeit at a lower level than in past years. The Department of Energy (DOE) is currently funding fuel cell and hydrogen R and D and has nearly 300 ongoing projects at companies, national labs, and universities/institutes universities. The American Recovery and Reinvestment Act (ARRA) of 2009 and DOE's Market Transformation efforts have acted as a government ''catalyst'' for market success of emerging technologies. Early market deployments of about 1,400 fuel cells under the ARRA have led to more than 5,000 additional fuel cell purchases by industry with no DOE funding. In addition, interest in Congress remains high. Senators Richard Blumenthal (D-CT), Chris Coons (D-DE), Lindsey Graham (R-SC) and John Hoeven (R-ND) re-launched the bipartisan Senate Fuel Cell and Hydrogen Caucus in August 2012 to promote the continued development and commercialization of hydrogen and fuel cell technologies

Culture of human cells in experimental units for spaceflight impacts on their behavior.

Science.gov (United States)

Cazzaniga, Alessandra; Moscheni, Claudia; Maier, Jeanette Am; Castiglioni, Sara

2017-05-01

Because space missions produce pathophysiological alterations such as cardiovascular disorders and bone demineralization which are very common on Earth, biomedical research in space is a frontier that holds important promises not only to counterbalance space-associated disorders in astronauts but also to ameliorate the health of Earth-bound population. Experiments in space are complex to design. Cells must be cultured in closed cell culture systems (from now defined experimental units (EUs)), which are biocompatible, functional, safe to minimize any potential hazard to the crew, and with a high degree of automation. Therefore, to perform experiments in orbit, it is relevant to know how closely culture in the EUs reflects cellular behavior under normal growth conditions. We compared the performances in these units of three different human cell types, which were recently space flown, i.e. bone mesenchymal stem cells, micro- and macrovascular endothelial cells. Endothelial cells are only slightly and transiently affected by culture in the EUs, whereas these devices accelerate mesenchymal stem cell reprogramming toward osteogenic differentiation, in part by increasing the amounts of reactive oxygen species. We conclude that cell culture conditions in the EUs do not exactly mimic what happens in a culture dish and that more efforts are necessary to optimize these devices for biomedical experiments in space. Impact statement Cell cultures represent valuable preclinical models to decipher pathogenic circuitries. This is true also for biomedical research in space. A lot has been learnt about cell adaptation and reaction from the experiments performed on many different cell types flown to space. Obviously, cell culture in space has to meet specific requirements for the safety of the crew and to comply with the unique environmental challenges. For these reasons, specific devices for cell culture in space have been developed. It is important to clarify whether these

Pore direction in relation to anisotropy of mechanical strength in a cubic starch compact

NARCIS (Netherlands)

Wu, Yu San; van Vliet, Lucas J; Frijlink, Henderik W; Stokroos, Ietse; van der Voort Maarschalk, Kees

The purpose of this research was to evaluate the relation between preferential direction of pores and mechanical strength of cubic starch compacts. The preferential pore direction was quantified in SEM images of cross sections of starch compacts using a previously described algorithm for

Physics and Technology of Transparent Ceramic Armor: Sintered Al2O3 vs Cubic Materials

National Research Council Canada - National Science Library

Krell, Andreas; Hutzler, Thomas; Klimke, Jens

2006-01-01

Sintered sub-micrometer alumina (alpha-Al2O3) is the hardest transparent armor. However, its trigonal structure gives rise to a strong thickness effect that makes thicker components translucent. Cubic ceramics (no birefringence...

Linear electro-optic effect in cubic silicon carbide

Science.gov (United States)

Tang, Xiao; Irvine, Kenneth G.; Zhang, Dongping; Spencer, Michael G.

1991-01-01

The first observation is reported of the electrooptic effect of cubic silicon carbide (beta-SiC) grown by a low-pressure chemical vapor deposition reactor using the hydrogen, silane, and propane gas system. At a wavelength of 633 nm, the value of the electrooptic coefficient r41 in beta-SiC is determined to be 2.7 +/- 0.5 x 10 (exp-12) m/V, which is 1.7 times larger than that in gallium arsenide measured at 10.6 microns. Also, a half-wave voltage of 6.4 kV for beta-SiC is obtained. Because of this favorable value of electrooptic coefficient, it is believed that silicon carbide may be a promising candidate in electrooptic applications for high optical intensity in the visible region.

Electron–soliton dynamics in chains with cubic nonlinearity

International Nuclear Information System (INIS)

Sales, M O; Moura, F A B F de

2014-01-01

In our work, we consider the problem of electronic transport mediated by coupling with solitonic elastic waves. We study the electronic transport in a 1D unharmonic lattice with a cubic interaction between nearest neighboring sites. The electron-lattice interaction was considered as a linear function of the distance between neighboring atoms in our study. We numerically solve the dynamics equations for the electron and lattice and compute the dynamics of an initially localized electronic wave-packet. Our results suggest that the solitonic waves that exist within this nonlinear lattice can control the electron dynamics along the chain. Moreover, we demonstrate that the existence of a mobile electron–soliton pair exhibits a counter-intuitive dependence with the value of the electron-lattice coupling. (paper)

Rapid hydrothermal route to synthesize cubic-phase gadolinium oxide nanorods

International Nuclear Information System (INIS)

Hazarika, Samiran; Paul, Nibedita; Mohanta, Dambarudhar

2014-01-01

An inexpensive fabrication route and growth mechanism is being reported for obtaining quality gadolinium oxide ( Gd 2 O 3 ) nanoscale rods. The elongated nanoscale systems, as produced via a hydrothermal process, were characterized by X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), optical absorption spectroscopy, photoluminescence (PL) spectroscopy, Raman spectroscopy and magnetic hysteresis measurements. XRD patterns of the nanorods, as-prepared from independent precursors of different pH, depict a cubic crystal phase and an average crystallite size of 5-6.5 nm. As revealed from HRTEM micrographs, diameter of the nanorods prepared at pH = 13.3 (∼7 nm) was much smaller than the rods prepared at pH = 10.8 (∼19 nm). However, the aspect ratio was more than double in the former case than the latter case. PL response was found to be dominated by defect mediated emissions, whereas Raman spectrum of a given specimen (pH = 10.8) has revealed characteristic F g + A g modes of cubic phase of Gd 2 O 3 nanorods, apart from other independent modes. Furthermore, M ∼ H plot of the nanorod system (pH = 10.8) exhibited slight departure from the ideal superparamagnetic behaviour, with low remanence and coercive field values. The exploitation of one-dimensional Gd 2 O 3 nanorods have immense potential in the production of advanced contrast agents, smart drives and also in making novel ferrofluids of technological relevance. (author)

Hydrogen and fuel cells in the United States Congress

International Nuclear Information System (INIS)

Yacobucci, B.D.

2003-01-01

Over the past few years, the United States Congress has shown increasing interest in the development of hydrogen fuel and fuel cells for transportation, stationary, and mobile applications The high efficiency of fuel cell systems could address some of the concern over increasing dependence on imported petroleum. Further, lower emissions could help promote air quality goals However, many questions remain, including the affordability, safety, overall fuel-cycle efficiency and emissions. These questions, especially those related to cost, have led Members of Congress to enact legislation to speed the development and commercialization of the technologies. This paper discusses congressional action on hydrogen and fuel cells. It provides an overview of the U.S. Congress, and outlines the role of the appropriations process. It then provides a history of federal hydrogen fuel research and development (R and D), both in terms of legislative and executive initiatives, and it describes pending legislation current as of this writing, including bills on energy policy, transportation policy, tax policy, and appropriations. Finally, the paper presents some of the issues that the pending legislation may raise for industry. (author)

Numerical simulation of reaction-diffusion systems by modified cubic B-spline differential quadrature method

International Nuclear Information System (INIS)

Mittal, R.C.; Rohila, Rajni

2016-01-01

In this paper, we have applied modified cubic B-spline based differential quadrature method to get numerical solutions of one dimensional reaction-diffusion systems such as linear reaction-diffusion system, Brusselator system, Isothermal system and Gray-Scott system. The models represented by these systems have important applications in different areas of science and engineering. The most striking and interesting part of the work is the solution patterns obtained for Gray Scott model, reminiscent of which are often seen in nature. We have used cubic B-spline functions for space discretization to get a system of ordinary differential equations. This system of ODE’s is solved by highly stable SSP-RK43 method to get solution at the knots. The computed results are very accurate and shown to be better than those available in the literature. Method is easy and simple to apply and gives solutions with less computational efforts.

pH-responsive lyotropic liquid crystals for the preparation of pure cubic zirconia nanoparticles

Energy Technology Data Exchange (ETDEWEB)

He, Wei Yan; Liu, Jin Rong; He, Zhang; Cao, Zhen Zhu; Li, Cai Hong; Gao, Yan Fang [Inner Mongolia University of Technology, School of Chemical Engineering, Hohhot (China)

2016-07-15

We present a lyotropic liquid crystal system consisting of SDS/Triton X-100/water at 25 C. This system is respond to pH variations with a phase switch. When pH is altered from alkaline (pH 13) to acidic (pH 2) conditions, phase change occurs from a bicontinuous hexagonal phase to a partially hexagonal phase until it disappears. The hexagonal phase under alkaline conditions is stable. Thus, this system is an ideal candidate for the preparation of pure cubic ZrO{sub 2} nanoparticles. XRD results confirm that the as-synthesized powder is composed of pure cubic ZrO{sub 2}. These nanoparticles also exhibit a thermal stability of up to 800 C. The size and morphological characteristics of the nanoparticles are greatly affected by ZrOCl{sub 2} concentration. The mechanism of zirconia nanoparticle synthesis in a lyotropic hexagonal phase was proposed. (orig.)

BFACF-style algorithms for polygons in the body-centered and face-centered cubic lattices

Energy Technology Data Exchange (ETDEWEB)

Janse van Rensburg, E J [Department of Mathematics and Statistics, York University, Toronto, Ontario M3J 1P3 (Canada); Rechnitzer, A, E-mail: rensburg@yorku.ca, E-mail: andrewr@math.ubc.ca [Department of Mathematics, The University of British Columbia, Vancouver V6T 1Z2, British Columbia (Canada)

2011-04-22

In this paper, the elementary moves of the BFACF-algorithm (Aragao de Carvalho and Caracciolo 1983 Phys. Rev. B 27 1635-45, Aragao de Carvalho and Caracciolo 1983 Nucl. Phys. B 215 209-48, Berg and Foester 1981 Phys. Lett. B 106 323-6) for lattice polygons are generalized to elementary moves of BFACF-style algorithms for lattice polygons in the body-centered (BCC) and face-centered (FCC) cubic lattices. We prove that the ergodicity classes of these new elementary moves coincide with the knot types of unrooted polygons in the BCC and FCC lattices and so expand a similar result for the cubic lattice (see Janse van Rensburg and Whittington (1991 J. Phys. A: Math. Gen. 24 5553-67)). Implementations of these algorithms for knotted polygons using the GAS algorithm produce estimates of the minimal length of knotted polygons in the BCC and FCC lattices.

BFACF-style algorithms for polygons in the body-centered and face-centered cubic lattices

Science.gov (United States)

Janse van Rensburg, E. J.; Rechnitzer, A.

2011-04-01

In this paper, the elementary moves of the BFACF-algorithm (Aragão de Carvalho and Caracciolo 1983 Phys. Rev. B 27 1635-45, Aragão de Carvalho and Caracciolo 1983 Nucl. Phys. B 215 209-48, Berg and Foester 1981 Phys. Lett. B 106 323-6) for lattice polygons are generalized to elementary moves of BFACF-style algorithms for lattice polygons in the body-centered (BCC) and face-centered (FCC) cubic lattices. We prove that the ergodicity classes of these new elementary moves coincide with the knot types of unrooted polygons in the BCC and FCC lattices and so expand a similar result for the cubic lattice (see Janse van Rensburg and Whittington (1991 J. Phys. A: Math. Gen. 24 5553-67)). Implementations of these algorithms for knotted polygons using the GAS algorithm produce estimates of the minimal length of knotted polygons in the BCC and FCC lattices.

BFACF-style algorithms for polygons in the body-centered and face-centered cubic lattices

International Nuclear Information System (INIS)

Janse van Rensburg, E J; Rechnitzer, A

2011-01-01

In this paper, the elementary moves of the BFACF-algorithm (Aragao de Carvalho and Caracciolo 1983 Phys. Rev. B 27 1635-45, Aragao de Carvalho and Caracciolo 1983 Nucl. Phys. B 215 209-48, Berg and Foester 1981 Phys. Lett. B 106 323-6) for lattice polygons are generalized to elementary moves of BFACF-style algorithms for lattice polygons in the body-centered (BCC) and face-centered (FCC) cubic lattices. We prove that the ergodicity classes of these new elementary moves coincide with the knot types of unrooted polygons in the BCC and FCC lattices and so expand a similar result for the cubic lattice (see Janse van Rensburg and Whittington (1991 J. Phys. A: Math. Gen. 24 5553-67)). Implementations of these algorithms for knotted polygons using the GAS algorithm produce estimates of the minimal length of knotted polygons in the BCC and FCC lattices.

Polarization contrast linear spectroscopies for cubic semiconductors under stress: macro- and micro-reflectance difference spectroscopies

Energy Technology Data Exchange (ETDEWEB)

Lastras-Martinez, L.F.; Balderas-Navarro, R.E.; Castro-Garcia, R.; Herrera-Jasso, R.; Lastras-Martinez, A. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi, S.L.P. (Mexico); Chavira-Rodriguez, M. [Departamento de Fisico Matematicas, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi, S.L.P. (Mexico)

2011-01-15

The technique to measure optical anisotropies (OA) in cubic semiconductors is termed either reflectance difference spectroscopy (RDS) or reflectance anisotropy spectroscopy (RAS). In this paper we report on the application of RDS/RAS to a number of cubic semiconductors. We discuss RD spectra of GaAs, Si, CdTe, GaP, InP and GaSb (001) surfaces, induced by an uniaxial stress applied along [110] crystal directions. We show that all RD spectra can be explained in terms of a phenomenological model based on a perturbative Hamiltonian. We further report on measurements of spatial-resolved RDS measurements of GaAs employing a newly developed micro-RD spectrometer with a spatial resolution of 5 {mu}m. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Influence of Urban Traffic Driving Conditions and Vehicle Cubic Capacity on CO and VOC Emissions

Directory of Open Access Journals (Sweden)

Arina Negoitescu

2013-09-01

Full Text Available The reports regarding the global warming warn on the urgent need to reduce pollutant emissions and in particular greenhouse emissions. The performed analysis shows that cars equipped with engines operating on petrol, lead to a lower level of pollution, from the point of view of CO (carbon monoxide and VOCs (volatile organic compounds emissions at speeds above 50km/ h. Since driving in urban traffic mode involves driving with a speed up to 50km/h, it was comparatively analyzed the automobile engines operation with different cubic capacities. In conclusion, in terms of the analyzed emissions in accordance with the emission standards requirements for urban driving situations, it results that the accepted values of these emissions are recorded for automobile engines of low cubic capacities (under 1.4 l.

Islanding and strain-induced shifts in the infrared absorption peaks of cubic boron nitride thin films

International Nuclear Information System (INIS)

Fahy, S.; Taylor, C.A. II and; Clarke, R.

1997-01-01

Experimental and theoretical investigations of the infrared-active, polarization-dependent phonon frequencies of cubic boron nitride films have been performed in light of recent claims that large frequency shifts during initial nucleation are the result of strain caused by highly nonequilibrium growth conditions. We show that the formation of small, separate grains of cubic boron nitride during the initial growth leads to a frequency shift in the infrared-active transverse-optic mode, polarized normal to the substrate, which is opposite in sign and twice the magnitude of the shift for modes polarized parallel to the substrate. In contrast, film strain causes a frequency shift in the mode polarized normal to the substrate, which is much smaller in magnitude than the frequency shift for modes polarized parallel to the substrate. Normal and off-normal incidence absorption measurements, performed at different stages of nucleation and growth, show that large frequency shifts in the transverse-optic-phonon modes during the initial stage of growth are not compatible with the expected effects of strain, but are in large part due to nucleation of small isolated cubic BN grains which coalesce to form a uniform layer. Numerical results from a simple model of island nucleation and growth are in good agreement with experimental results. copyright 1997 The American Physical Society

The time-dependence of the defective nature of ice Ic (cubic ice) and its implications for atmospheric science

Science.gov (United States)

Sippel, Christian; Koza, Michael M.; Hansen, Thomas C.; Kuhs, Werner F.

2010-05-01

The possible atmospheric implication of ice Ic (cubic ice) has already been suggested some time ago in the context of snow crystal formation [1]. New findings from air-borne measurements in cirrus clouds and contrails have put ice Ic into the focus of interest to understand the so-called "supersaturation puzzle" [2,3,4]. Our recent microstructural work on ice Ic [5,6] appears to be highly relevant in this context. We have found that ice Ic is characterized by a complex stacking fault pattern, which changes as a function of temperature as well as time. Indeed, from our own [7] and other group's work [8] one knows that (in contrast to earlier believe) ice Ic can form up to temperatures at least as high as 240K - thus in the relevant range for cirrus clouds. We have good preliminary evidence that the "cubicity" (which can be related to stacking fault probabilities) as well as the particle size of ice Ic are the relevant parameters for this correlation. The "cubicity" of stacking faulty ice Ic (established by diffraction) correlates nicely with the increased supersaturation at decreasing temperatures observed in cirrus clouds and contrails, a fact, which may be considered as further evidence for the presence of ice Ic. Recently, we have studied the time-dependency of the changes in both "cubicity" and particle size at various temperatures of relevance for cirrus clouds and contrails by in-situ neutron powder diffraction. The timescales over which changes occur (several to many hours) are similar to the life-time of cirrus clouds and contrails and suggest that the supersaturation situation may change within this time span in the natural environment too. Some accompanying results obtained by cryo-SEM (scanning electron microscopy) work will also be presented and suggest that stacking-faulty ice Ic has kinky surfaces providing many more active centres for heterogeneous reactions on the surface than in the usually assumed stable hexagonal form of ice Ih with its rather

Size-dependent plastic deformation of twinned nanopillars in body-centered cubic tungsten

Science.gov (United States)

Xu, Shuozhi; Startt, Jacob K.; Payne, Thomas G.; Deo, Chaitanya S.; McDowell, David L.

2017-05-01

Compared with face-centered cubic metals, twinned nanopillars in body-centered cubic (BCC) systems are much less explored partly due to the more complicated plastic deformation behavior and a lack of reliable interatomic potentials for the latter. In this paper, the fault energies predicted by two semi-empirical interatomic potentials in BCC tungsten (W) are first benchmarked against density functional theory calculations. Then, the more accurate potential is employed in large scale molecular dynamics simulations of tensile and compressive loading of twinned nanopillars in BCC W with different cross sectional shapes and sizes. A single crystal, a twinned crystal, and single crystalline nanopillars are also studied as references. Analyses of the stress-strain response and defect nucleation reveal a strong tension-compression asymmetry and a weak pillar size dependence in the yield strength. Under both tensile and compressive loading, plastic deformation in the twinned nanopillars is dominated by dislocation slip on {110} planes that are nucleated from the intersections between the twin boundary and the pillar surface. It is also found that the cross sectional shape of nanopillars affects the strength and the initial site of defect nucleation but not the overall stress-strain response and plastic deformation behavior.

Dicyanamide Salts that Adopt Smectic, Columnar, or Bicontinuous Cubic Liquid-Crystalline Mesophases.

Science.gov (United States)

Park, Geonhui; Goossens, Karel; Shin, Tae Joo; Bielawski, Christopher W

2018-04-25

Although dicyanamide (i.e., [N(CN) 2 ] - ) has been commonly used to obtain low-viscosity, halogen-free, room-temperature ionic liquids, liquid-crystalline salts containing such anions have remained virtually unexplored. Here we report a series of amphiphilic dicyanamide salts that, depending on their structures and compositions, adopt smectic, columnar, or bicontinuous cubic thermotropic liquid-crystalline mesophases, even at room temperature in some cases. Their thermal properties were explored by polarized light optical microscopy, differential scanning calorimetry, thermogravimetric analysis (including evolved gas analysis), and variable-temperature synchrotron X-ray diffraction. Comparison of the thermal phase characteristics of these new liquid-crystalline salts featuring "V-shaped" [N(CN) 2 ] - anions with those of structural analogues containing [SCN] - , [BF 4 ] - , [PF 6 ] - , or [CF 3 SO 3 ] - anions indicated that not only the size of the counterion but also its shape should be considered in the development of mesomorphic salts. Collectively, these discoveries may be expected to facilitate the design of thermotropic ionic liquid crystals that form inverted-type bicontinuous cubic and other sophisticated liquid-crystalline phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Galilean-invariant preconditioned central-moment lattice Boltzmann method without cubic velocity errors for efficient steady flow simulations

Science.gov (United States)

Hajabdollahi, Farzaneh; Premnath, Kannan N.

2018-05-01

Lattice Boltzmann (LB) models used for the computation of fluid flows represented by the Navier-Stokes (NS) equations on standard lattices can lead to non-Galilean-invariant (GI) viscous stress involving cubic velocity errors. This arises from the dependence of their third-order diagonal moments on the first-order moments for standard lattices, and strategies have recently been introduced to restore Galilean invariance without such errors using a modified collision operator involving corrections to either the relaxation times or the moment equilibria. Convergence acceleration in the simulation of steady flows can be achieved by solving the preconditioned NS equations, which contain a preconditioning parameter that can be used to tune the effective sound speed, and thereby alleviating the numerical stiffness. In the present paper, we present a GI formulation of the preconditioned cascaded central-moment LB method used to solve the preconditioned NS equations, which is free of cubic velocity errors on a standard lattice, for steady flows. A Chapman-Enskog analysis reveals the structure of the spurious non-GI defect terms and it is demonstrated that the anisotropy of the resulting viscous stress is dependent on the preconditioning parameter, in addition to the fluid velocity. It is shown that partial correction to eliminate the cubic velocity defects is achieved by scaling the cubic velocity terms in the off-diagonal third-order moment equilibria with the square of the preconditioning parameter. Furthermore, we develop additional corrections based on the extended moment equilibria involving gradient terms with coefficients dependent locally on the fluid velocity and the preconditioning parameter. Such parameter dependent corrections eliminate the remaining truncation errors arising from the degeneracy of the diagonal third-order moments and fully restore Galilean invariance without cubic defects for the preconditioned LB scheme on a standard lattice. Several

Cubic Plus Association Equation of State for Flow Assurance Projects

DEFF Research Database (Denmark)

dos Santos, Leticia Cotia; Abunahman, Samir Silva; Tavares, Frederico Wanderley

2015-01-01

Thermodynamic hydrate inhibitors such as methanol, ethanol, (mono) ethylene glycol (MEG), and triethylene glycol (TEG) are widely used in the oil and gas industry. On modeling these compounds, we show here how the CPA equation of state was implemented in an in-house process simulator as an in......-built model: To validate the implementation, we show calulations for binary systems containing hydrate inhibitors and water or hydrocarbons using the Cubic Plus Association (CPA) and Soave-Redlich-Kwong (SRK) equation of states, also comparing against experimental data. For streams containing natural gas...

Magnetoresistance oscillations of two-dimensional electron systems in lateral superlattices with structured unit cells

Science.gov (United States)

Gerhardts, Rolf R.

2015-11-01

Model calculations for commensurability oscillations of the low-field magnetoresistance of two-dimensional electron systems (2DES) in lateral superlattices, consisting of unit cells with an internal structure, are compared with recent experiments. The relevant harmonics of the effective modulation potential depend not only on the geometrical structure of the modulated unit cell, but also strongly on the nature of the modulation. While higher harmonics of an electrostatically generated surface modulation are exponentially damped at the position of the 2DES about 90 nm below the surface, no such damping appears for strain-induced modulation generated, e.g., by the deposition of stripes of calixarene resist on the surface before cooling down the sample.

Growth and characterization of β-In N films on Mg O: the key role of a β-Ga N buffer layer in growing cubic In N

International Nuclear Information System (INIS)

Navarro C, H.; Perez C, M.; Rodriguez, A. G.; Lopez L, E.; Vidal, M. A.

2012-01-01

Cubic In N samples were grown on Mg O (001) substrates by gas source molecular beam epitaxy. In general, we find that In N directly deposited onto the Mg O substrate results in polycrystalline or columnar films of hexagonal symmetry. We find that adequate conditions to grow the cubic phase of this compound require the growth of an initial cubic Ga N buffer interlayer (β-t Ga N) on the Mg O surface. Subsequently, the growth conditions were optimized to obtain good photoluminescence (Pl) emission. The resultant In N growth is mostly cubic, with very small hexagonal inclusions, as confirmed by X-ray diffraction and scanning electron microscopy studies. Good crystalline quality requires that the samples to be grown under rich Indium metal flux. The cubic β-t In N/Ga N/Mg O samples exhibit a high signal to noise ratio for Pl at low temperatures (20 K). The Pl is centered at O.75 eV and persist at room temperature. (Author)

On the accurate fast evaluation of finite Fourier integrals using cubic splines

International Nuclear Information System (INIS)

Morishima, N.

1993-01-01

Finite Fourier integrals based on a cubic-splines fit to equidistant data are shown to be evaluated fast and accurately. Good performance, especially on computational speed, is achieved by the optimization of the spline fit and the internal use of the fast Fourier transform (FFT) algorithm for complex data. The present procedure provides high accuracy with much shorter CPU time than a trapezoidal FFT. (author)

High activity of cubic PtRh alloys supported on graphene towards ethanol electrooxidation.

Science.gov (United States)

Rao, Lu; Jiang, Yan-Xia; Zhang, Bin-Wei; Cai, Yuan-Rong; Sun, Shi-Gang

2014-07-21

Cubic PtRh alloys supported on graphene (PtxRhy/GN) with different atomic ratio of Pt and Rh were directly synthesized for the first time using the modified polyol method with Br(-) for the shape-directing agents. The process didn't use surface-capping agents such as PVP that easily occupy the active sites of electrocatalysts and are difficult to remove. Graphene is the key factor for cubic shape besides Br(-) and keeping catalysts high-dispersed. The X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM) were used to characterize the structure and morphology of these electrocatalysts. The results showed that they were composed of homogeneous cubic PtRh alloys. Traditional electrochemical methods, such as cyclic voltammetry and chronoamperometry, were used to investigate the electrocatalytic properties of PtxRhy/GN towards ethanol electrooxidation. It can be seen that PtxRhy/GN with all atomic ratios exhibited high catalytic activity, and the most active one has a composition with Pt : Rh = 9 : 1 atomic ratio. Electrochemical in situ FTIR spectroscopy was used to evaluate the cleavage of C-C bond in ethanol at room temperature in acidic solutions, the results illustrated that Rh in an alloy can promote the split of C-C bond in ethanol, and the alloy catalyst with atomic ratio Pt : Rh = 1 : 1 showed obviously better performance for the C-C bond breaking in ethanol and higher selectivity for the enhanced activity of ethanol complete oxidation to CO2 than alloys with other ratios of Pt and Rh. The investigation indicates that high activity of PtxRhy/GN electrocatalyst towards ethanol oxidation is due to the specific shape of alloys and the synergistic effect of two metal elements as well as graphene support.

Low-temperature synthesis of Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} with cubic garnet-type structure

Energy Technology Data Exchange (ETDEWEB)

Xie, Hui [Texas Materials Institute, ETC 9.184, University of Texas at Austin, Austin, TX 78712 (United States); Li, Yutao [Texas Materials Institute, ETC 9.184, University of Texas at Austin, Austin, TX 78712 (United States); State Key Laboratory of New Ceramics and Fine Processing, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Goodenough, John B., E-mail: jgoodenough@mail.utexas.edu [Texas Materials Institute, ETC 9.184, University of Texas at Austin, Austin, TX 78712 (United States)

2012-05-15

Highlights: Black-Right-Pointing-Pointer One-step synthesis and its optimization of cubic garnet Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} at 750 Degree-Sign C. Black-Right-Pointing-Pointer Instability above 800 Degree-Sign C of the Al-free cubic Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12}. Black-Right-Pointing-Pointer Li{sup +}-ion conductivity without adventitious Al{sup 3+}. -- Abstract: In this paper, we report the direct synthesis of Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} with the cubic garnet-type structure at low temperature with a lattice constant of 13.0035 Angstrom-Sign . The synthesis condition is optimized to be at 750 Degree-Sign C for 8 h with 30 wt% excess lithium salt. No intermediate grinding was involved in this straightforward route. Without the adventitious of Al{sup 3+}, the cubic Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} is unstable above 800 Degree-Sign C and has an ionic conductivity of the order of 10{sup -6} S cm{sup -1}.

Analytic smoothing effect for the cubic hyperbolic Schrodinger equation in two space dimensions

Directory of Open Access Journals (Sweden)

Gaku Hoshino

2016-01-01

Full Text Available We study the Cauchy problem for the cubic hyperbolic Schrodinger equation in two space dimensions. We prove existence of analytic global solutions for sufficiently small and exponential decaying data. The method of proof depends on the generalized Leibniz rule for the generator of pseudo-conformal transform acting on pseudo-conformally invariant nonlinearity.

Gaussian quadrature for splines via homotopy continuation: Rules for C2 cubic splines

KAUST Repository

Barton, Michael

2015-10-24

We introduce a new concept for generating optimal quadrature rules for splines. To generate an optimal quadrature rule in a given (target) spline space, we build an associated source space with known optimal quadrature and transfer the rule from the source space to the target one, while preserving the number of quadrature points and therefore optimality. The quadrature nodes and weights are, considered as a higher-dimensional point, a zero of a particular system of polynomial equations. As the space is continuously deformed by changing the source knot vector, the quadrature rule gets updated using polynomial homotopy continuation. For example, starting with C1C1 cubic splines with uniform knot sequences, we demonstrate the methodology by deriving the optimal rules for uniform C2C2 cubic spline spaces where the rule was only conjectured to date. We validate our algorithm by showing that the resulting quadrature rule is independent of the path chosen between the target and the source knot vectors as well as the source rule chosen.

Gaussian quadrature for splines via homotopy continuation: Rules for C2 cubic splines

KAUST Repository

Barton, Michael; Calo, Victor M.

2015-01-01

We introduce a new concept for generating optimal quadrature rules for splines. To generate an optimal quadrature rule in a given (target) spline space, we build an associated source space with known optimal quadrature and transfer the rule from the source space to the target one, while preserving the number of quadrature points and therefore optimality. The quadrature nodes and weights are, considered as a higher-dimensional point, a zero of a particular system of polynomial equations. As the space is continuously deformed by changing the source knot vector, the quadrature rule gets updated using polynomial homotopy continuation. For example, starting with C1C1 cubic splines with uniform knot sequences, we demonstrate the methodology by deriving the optimal rules for uniform C2C2 cubic spline spaces where the rule was only conjectured to date. We validate our algorithm by showing that the resulting quadrature rule is independent of the path chosen between the target and the source knot vectors as well as the source rule chosen.

Data fitting by G1 rational cubic Bézier curves using harmony search

Directory of Open Access Journals (Sweden)

Najihah Mohamed

2015-07-01

Full Text Available A metaheuristic algorithm, called Harmony Search (HS is implemented for data fitting by rational cubic Bézier curves. HS is a derivative-free real parameter optimization algorithm, and draws an inspiration from the musical improvisation process of searching for a perfect state of harmony. HS is suitable for multivariate non-linear optimization problem. It is mainly achieved by data fitting using rational cubic Bézier curves with G1 continuity for every joint of segments of the whole data sets. This approach has significant contributions in making the technique automated. HS is used to optimize positions of middle points and values of the shape parameters. Test outline images and comparative experimental analysis are presented to show effectiveness and robustness of the proposed method. Statistical testing between HS and two other different metaheuristic algorithms is used in the analysis on several outline images. All of the algorithms improvised a near optimal solution but the result that is obtained by the HS is better than the results of the other two algorithms.

Implementation of perturbed-chain statistical associating fluid theory (PC-SAFT), generalized (G)SAFT+cubic, and cubic-plus-association (CPA) for modeling thermophysical properties of selected 1-alkyl-3-methylimidazolium ionic liquids in a wide pressure range.

Science.gov (United States)

Polishuk, Ilya

2013-03-14

This study is the first comparative investigation of predicting the isochoric and the isobaric heat capacities, the isothermal and the isentropic compressibilities, the isobaric thermal expansibilities, the thermal pressure coefficients, and the sound velocities of ionic liquids by statistical associating fluid theory (SAFT) equation of state (EoS) models and cubic-plus-association (CPA). It is demonstrated that, taking into account the high uncertainty of the literature data (excluding sound velocities), the generalized for heavy compounds version of SAFT+Cubic (GSAFT+Cubic) appears as a robust estimator of the auxiliary thermodynamic properties under consideration. In the case of the ionic liquids the performance of PC-SAFT seems to be less accurate in comparison to ordinary compounds. In particular, PC-SAFT substantially overestimates heat capacities and underestimates the temperature and pressure dependencies of sound velocities and compressibilities. An undesired phenomenon of predicting high fictitious critical temperatures of ionic liquids by PC-SAFT should be noticed as well. CPA is the less accurate estimator of the liquid phase properties, but it is advantageous in modeling vapor pressures and vaporization enthalpies of ionic liquids. At the same time, the preliminary results indicate that the inaccuracies in predicting the deep vacuum vapor pressures of ionic liquids do not influence modeling of phase equilibria in their mixtures at much higher pressures.

Localized Pd Overgrowth on Cubic Pt Nanocrystals for Enhanced Electrocatalytic Oxidation of Formic Acid

Energy Technology Data Exchange (ETDEWEB)

Lee, H.; Habas, S.E.; Somorjai, G.A.; Yang, P.

2008-03-20

Binary Pt/Pd nanoparticles were synthesized by localized overgrowth of Pd on cubic Pt seeds for the investigation of electrocatalytic formic acid oxidation. The binary particles exhibited much less self-poisoning and a lower activation energy relative to Pt nanocubes, consistent with the single crystal study.

Closure Plan for Corrective Action Unit 110: Area 3 RWMS U-3ax/bl Disposal Unit, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Fitzmaurice, T. M.

2000-01-01

This Closure Plan has been prepared for the Area 3 RWMS U-3ax/bl Disposal Unit Corrective Action Unit 110 in accordance with the Federal Facility and Consent Order (Nevada Division of Environmental Protection [NDEP] et al., 1996). The U-3ax/bl is a historic disposal unit within the Area 3 Radioactive Waste Management Site located on the Nevada Test Site (NTS). The unit, which was formed by excavating the area between two subsidence craters (U-3ax and U-3bl), was operationally closed in 1987. The U-3ax/bl disposal unit is scheduled for permanent closure under the Resource Conservation and Recovery Act as a hazardous waste landfill. Existing records indicate that, from July 1968 to December 1987, U-3ax/bl received 2.3 x 10 5 cubic meters (8.12 x 10 6 cubic feet) of waste. NTS nuclear device testing generated approximately 95 percent of the total volume disposed of in U-3ax/bl, the majority of which came from the Waste Consolidation Project (80 percent of the total volume) (Elletson and Johnejack, 1995). Area 3 is located in Yucca Flat, within the northeast quadrant of the NTS. The Yucca Flat watershed is a structurally closed basin encompassing an area of approximately 780 square kilometers (300 square miles). The structural geomorphology of Yucca Flat is typical of the Basin and Range Physiographic Province. Yucca Flat lies in one of the most arid regions of the country. Water balance calculations for Area 3 indicate that it is continuously in a state of moisture deficit. The U-3ax/bl Disposal Unit will be closed in place by installing a Resource Conservation and Recovery Act equivalent cover. Following cover construction a fence will be installed around the cover to prevent accidental damage to the cover. Post-closure monitoring will consist of site inspections to determine the condition of the engineered cover and cover performance monitoring using Time-Domain Reflectometry arrays to monitor moisture migration in the cover. Any identified maintenance and repair

Closure Plan for Corrective Action Unit 110: Area 3 RWMS U-3ax/bl Disposal Unit, Nevada Test Site, Nevada

Energy Technology Data Exchange (ETDEWEB)

T. M. Fitzmaurice

2000-08-01

This Closure Plan has been prepared for the Area 3 RWMS U-3ax/bl Disposal Unit Corrective Action Unit 110 in accordance with the Federal Facility and Consent Order (Nevada Division of Environmental Protection [NDEP] et al., 1996). The U-3ax/bl is a historic disposal unit within the Area 3 Radioactive Waste Management Site located on the Nevada Test Site (NTS). The unit, which was formed by excavating the area between two subsidence craters (U-3ax and U-3bl), was operationally closed in 1987. The U-3ax/bl disposal unit is scheduled for permanent closure under the Resource Conservation and Recovery Act as a hazardous waste landfill. Existing records indicate that, from July 1968 to December 1987, U-3ax/bl received 2.3 x 10{sup 5} cubic meters (8.12 x 10{sup 6} cubic feet) of waste. NTS nuclear device testing generated approximately 95 percent of the total volume disposed of in U-3ax/bl, the majority of which came from the Waste Consolidation Project (80 percent of the total volume) (Elletson and Johnejack, 1995). Area 3 is located in Yucca Flat, within the northeast quadrant of the NTS. The Yucca Flat watershed is a structurally closed basin encompassing an area of approximately 780 square kilometers (300 square miles). The structural geomorphology of Yucca Flat is typical of the Basin and Range Physiographic Province. Yucca Flat lies in one of the most arid regions of the country. Water balance calculations for Area 3 indicate that it is continuously in a state of moisture deficit. The U-3ax/bl Disposal Unit will be closed in place by installing a Resource Conservation and Recovery Act equivalent cover. Following cover construction a fence will be installed around the cover to prevent accidental damage to the cover. Post-closure monitoring will consist of site inspections to determine the condition of the engineered cover and cover performance monitoring using Time-Domain Reflectometry arrays to monitor moisture migration in the cover. Any identified maintenance and

Co-free, iron perovskites as cathode materials for intermediate-temperature solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Hou, Shu-en [Engineering Research Center of Nano-Geo Materials of Ministry of Education, China University of Geosciences, Wuhan, 430074 (China); Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Alonso, Jose Antonio [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Goodenough, John B. [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States)

2010-01-01

We have developed a Co-free solid oxide fuel cell (SOFC) based upon Fe mixed oxides that gives an extraordinary performance in test-cells with H{sub 2} as fuel. As cathode material, the perovskite Sr{sub 0.9}K{sub 0.1}FeO{sub 3-{delta}} (SKFO) has been selected since it has an excellent ionic and electronic conductivity and long-term stability under oxidizing conditions; the characterization of this material included X-ray diffraction (XRD), thermal analysis, scanning microscopy and conductivity measurements. The electrodes were supported on a 300-{mu}m thick pellet of the electrolyte La{sub 0.8}Sr{sub 0.2}Ga{sub 0.83}Mg{sub 0.17}O{sub 3-{delta}} (LSGM) with Sr{sub 2}MgMoO{sub 6} as the anode and SKFO as the cathode. The test cells gave a maximum power density of 680 mW cm{sup -2} at 800 C and 850 mW cm{sup -2} at 850 C, with pure H{sub 2} as fuel. The electronic conductivity shows a change of regime at T {approx} 350 C that could correspond to the phase transition from tetragonal to cubic symmetry. The high-temperature regime is characterized by a metallic-like behavior. At 800 C the crystal structure contains 0.20(1) oxygen vacancies per formula unit randomly distributed over the oxygen sites (if a cubic symmetry is assumed). The presence of disordered vacancies could account, by itself, for the oxide-ion conductivity that is required for the mass transport across the cathode. The result is a competitive cathode material containing no cobalt that meets the target for the intermediate-temperature SOFC. (author)

An empirical analysis of the quantitative effect of data when fitting quadratic and cubic polynomials

Science.gov (United States)

Canavos, G. C.

1974-01-01

A study is made of the extent to which the size of the sample affects the accuracy of a quadratic or a cubic polynomial approximation of an experimentally observed quantity, and the trend with regard to improvement in the accuracy of the approximation as a function of sample size is established. The task is made possible through a simulated analysis carried out by the Monte Carlo method in which data are simulated by using several transcendental or algebraic functions as models. Contaminated data of varying amounts are fitted to either quadratic or cubic polynomials, and the behavior of the mean-squared error of the residual variance is determined as a function of sample size. Results indicate that the effect of the size of the sample is significant only for relatively small sizes and diminishes drastically for moderate and large amounts of experimental data.

Darboux integrability and rational reversibility in cubic systems with two invariant straight lines

Directory of Open Access Journals (Sweden)

Dumitru Cozma

2013-01-01

Full Text Available We find conditions for a singular point O(0,0 of a center or a focus type to be a center, in a cubic differential system with two distinct invariant straight lines. The presence of a center at O(0,0 is proved by using the method of Darboux integrability and the rational reversibility.

CENTER CONDITIONS AND CYCLICITY FOR A FAMILY OF CUBIC SYSTEMS: COMPUTER ALGEBRA APPROACH.

Science.gov (United States)

Ferčec, Brigita; Mahdi, Adam

2013-01-01

Using methods of computational algebra we obtain an upper bound for the cyclicity of a family of cubic systems. We overcame the problem of nonradicality of the associated Bautin ideal by moving from the ring of polynomials to a coordinate ring. Finally, we determine the number of limit cycles bifurcating from each component of the center variety.

A simplistic analytical unit cell based model for the effective thermal conductivity of high porosity open-cell metal foams

International Nuclear Information System (INIS)

Yang, X H; Kuang, J J; Lu, T J; Han, F S; Kim, T

2013-01-01

We present a simplistic yet accurate analytical model for the effective thermal conductivity of high porosity open-cell metal foams saturated in a low conducting fluid (air). The model is derived analytically based on a realistic representative unit cell (a tetrakaidecahedron) under the assumption of one-dimensional heat conduction along highly tortuous-conducting ligaments at high porosity ranges (ε ⩾ 0.9). Good agreement with existing experimental data suggests that heat conduction along highly conducting and tortuous ligaments predominantly defines the effective thermal conductivity of open-cell metal foams with negligible conduction in parallel through the fluid phase. (paper)

Three-dimensional reconstruction of statistically optimal unit cells of polydisperse particulate composites from microtomography

International Nuclear Information System (INIS)

Lee, H.; Brandyberry, M.; Tudor, A.; Matous, K.

2009-01-01

In this paper, we present a systematic approach for characterization and reconstruction of statistically optimal representative unit cells of polydisperse particulate composites. Microtomography is used to gather rich three-dimensional data of a packed glass bead system. First-, second-, and third-order probability functions are used to characterize the morphology of the material, and the parallel augmented simulated annealing algorithm is employed for reconstruction of the statistically equivalent medium. Both the fully resolved probability spectrum and the geometrically exact particle shapes are considered in this study, rendering the optimization problem multidimensional with a highly complex objective function. A ten-phase particulate composite composed of packed glass beads in a cylindrical specimen is investigated, and a unit cell is reconstructed on massively parallel computers. Further, rigorous error analysis of the statistical descriptors (probability functions) is presented and a detailed comparison between statistics of the voxel-derived pack and the representative cell is made.

Hairy black holes in cubic quasi-topological gravity

Energy Technology Data Exchange (ETDEWEB)

Dykaar, Hannah [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Department of Physics, McGill University,3600 rue University, Montreal, QC, H3A 2T8 (Canada); Hennigar, Robie A.; Mann, Robert B. [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada)

2017-05-09

We construct a class of five dimensional black hole solutions to cubic quasi-topological gravity with conformal scalar hair and study their thermodynamics. We find these black holes provide the second example of black hole λ-lines: a line of second order (continuous) phase transitions, akin to the fluid/superfluid transition of {sup 4}He. Examples of isolated critical points are found for spherical black holes, marking the first in the literature to date. We also find various novel and interesting phase structures, including an isolated critical point occurring in conjunction with a double reentrant phase transition. The AdS vacua of the theory are studied, finding ghost-free configurations where the scalar field takes on a non-zero constant value, in notable contrast to the five dimensional Lovelock case.

Thermal stability and phase transformation in fully indium oxide (InO{sub 1.5}) stabilized zirconia

Energy Technology Data Exchange (ETDEWEB)

Piva, R.H., E-mail: honorato.piva@ua.pt; Piva, D.H.; Morelli, M.R.

2017-01-15

Indium oxide (InO{sub 1.5}) stabilized zirconia (InSZ) is an attractive material as electrolyte, or electrode, in solid oxide fuel cells (SOFCs), and as corrosion resistant top coat in thermal barrier coatings. However, little is known about the phase stability of cubic InSZ at temperatures that simulate the conditions in an operating SOFC or turbine. This article provides an investigation of the phase stability and phase transformations in cubic InSZ after heat treatments at 800, 1000, and 1200 °C for periods up to 2000 h. The results revealed that cubic InSZ is not stable during annealing at 1000 and 1200 °C, owing to a fast destabilization of the initial cubic phase to tetragonal, and eventually to monoclinic (c → t → m). The c → t → m transition in InSZ is intimately associated with the indium volatilization. On the other hand, cubic InSZ remained stable for 2000 h at 800 °C, although the partial formation of the tetragonal phase was observed along with a 0.25% contraction in the unit cell volume of the cubic phase, caused by short-range ordering. These results demonstrate that technological applications of cubic InSZ are restricted to temperatures at which the volatilization of the InO{sub 1.5} stabilizer does not occur. - Highlights: •Phase stability of fully InO{sub 1.5} stabilized zirconia (cubic InSZ) was evaluated. •Cubic InSZ is instable at temperatures ≥ 1000 °C, owing to the cubic-to-tetragonal-to-monoclinic destabilization. •Cubic InSZ undergoes the cubic-to-tetragonal transformation at ~ 800 °C. •Owing to the low phase stability, applications of cubic InSZ in TBCs or SOFCs are restricted.

3D geometrically isotropic metamaterial for telecom wavelengths

DEFF Research Database (Denmark)

Malureanu, Radu; Andryieuski, Andrei; Lavrinenko, Andrei

2009-01-01

of the unit cell is not infinitely small, certain geometrical constraints have to be fulfilled to obtain an isotropic response of the material [3]. These conditions and the metal behaviour close to the plasma frequency increase the design complexity. Our unit cell is composed of two main parts. The first part...... is obtained in a certain bandwidth. The proposed unit cell has the cubic point group of symmetry and being repeatedly placed in space can effectively reveal isotropic optical properties. We use the CST commercial software to characterise the “cube-in-cage” structure. Reflection and transmission spectra...

On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector.

Science.gov (United States)

Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro

2017-06-14

The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.

Bounds on Cubic Lorentz-Violating Terms in the Fermionic Dispersion Relation

OpenAIRE

Bertolami, O.; Rosa, J. G.

2004-01-01

We study the recently proposed Lorentz-violating dispersion relation for fermions and show that it leads to two distinct cubic operators in the momentum. We compute the leading order terms that modify the non-relativistic equations of motion and use experimental results for the hyperfine transition in the ground state of the ${}^9\\textrm Be^+$ ion to bound the values of the Lorentz-violating parameters $\\eta_1$ and $\\eta_2$ for neutrons. The resulting bounds depend on the value of the Lorenz-...

Cubic-quintic solitons in the checkerboard potential

International Nuclear Information System (INIS)

Driben, Rodislav; Zyss, Joseph; Malomed, Boris A.; Gubeskys, Arthur

2007-01-01

We introduce a two-dimensional (2D) model which combines a checkerboard potential, alias the Kronig-Penney (KP) lattice, with the self-focusing cubic and self-defocusing quintic nonlinear terms. The beam-splitting mechanism and soliton multistability are explored in this setting, following the recently considered 1D version of the model. Families of single- and multi-peak solitons (in particular, five- and nine-peak species naturally emerge in the 2D setting) are found in the semi-infinite gap, with both branches of bistable families being robust against perturbations. For single-peak solitons, the variational approximation (VA) is developed, providing for a qualitatively correct description of the transition from monostability to the bistability. 2D solitons found in finite band gaps are unstable. Also constructed are two different species of stable vortex solitons, arranged as four-peak patterns ('oblique' and 'straight' ones). Unlike them, compact 'crater-shaped' vortices are unstable, transforming themselves into randomly walking fundamental beams

Black holes in a cubic Galileon universe

Energy Technology Data Exchange (ETDEWEB)

Babichev, E.; Charmousis, C.; Lehébel, A.; Moskalets, T., E-mail: eugeny.babichev@th.u-psud.fr, E-mail: christos.charmousis@th.u-psud.fr, E-mail: antoine.lehebel@th.u-psud.fr, E-mail: tetiana.moskalets@th.u-psud.fr [Laboratoire de Physique Théorique, CNRS, Univ. Paris-Sud, Université Paris-Saclay, 91405 Orsay (France)

2016-09-01

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.

Expansion into lattice harmonics in cubic symmetries

Science.gov (United States)

Kontrym-Sznajd, G.

2018-05-01

On the example of a few sets of sampling directions in the Brillouin zone, this work shows how important the choice of the cubic harmonics is on the quality of approximation of some quantities by a series of such harmonics. These studies led to the following questions: (1) In the case that for a given l there are several independent harmonics, can one use in the expansion only one harmonic with a given l?; (2) How should harmonics be ordered: according to l or, after writing them in terms of (x4 + y4 + z4)n (x2y2z2)m, according to their degree q = n + m? To enable practical applications of such harmonics, they are constructed in terms of the associated Legendre polynomials up to l = 26. It is shown that electron momentum densities, reconstructed from experimental data for ErGa3 and InGa3, are described much better by harmonics ordered with q.

Topological Oxide Insulator in Cubic Perovskite Structure

Science.gov (United States)

Jin, Hosub; Rhim, Sonny H.; Im, Jino; Freeman, Arthur J.

2013-01-01

The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases. PMID:23575973

Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm(x)Yb(2−x)TiO5 series

International Nuclear Information System (INIS)

Aughterson, Robert D.; Lumpkin, Gregory R.; Reyes, Massey de los; Sharma, Neeraj; Ling, Christopher D.; Gault, Baptiste; Smith, Katherine L.; Avdeev, Maxim; Cairney, Julie M.

2014-01-01

A series of single phase compounds with nominal stoichiometry Sm (x) Yb (2−x) TiO 5 (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln 2 TiO 5 series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P6 3 /mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. - Graphical abstract: A high resolution image of the compound Sm 0.6 Yb 1.4 TiO 5 showing contrast from lattice fringes and the corresponding fast Fourier transform (FFT) of the HREM image with pyrochlore related diffraction spots marked “P” and fluorite marked “F”. The crystal is oriented down the [1 1 0] zone axis based on the Fd-3m structure. The ideal crystal structure (no vacancies) of the cubic, pyrochlore-like (Sm 0.6 Yb 1.4 TiO 5 ). - Highlights: • First fabrication of bulk single-phase material with stoichiometry Sm 2 TiO 5 . • Systematic study of crystal structure types within Ln 2 TiO 5 series (Ln=lanthanides). • A novel technique using IFFT of HREM images to study cubic structures

Estimating cubic volume of small diameter tree-length logs from ponderosa and lodgepole pine.

Science.gov (United States)

Marlin E. Plank; James M. Cahill

1984-01-01

A sample of 351 ponderosa pine (Pinus ponderosa Dougl. ex Laws.) and 509 lodgepole pine (Pinus contorta Dougl. ex Loud.) logs were used to evaluate the performance of three commonly used formulas for estimating cubic volume. Smalian's formula, Bruce's formula, and Huber's formula were tested to determine which...

The crystal structure and phase transitions of the magnetic shape memory compound Ni2MnGa

International Nuclear Information System (INIS)

Brown, P J; Crangle, J; Kanomata, T; Matsumoto, M; Neumann, K-U; Ouladdiaf, B; Ziebeck, K R A

2002-01-01

High resolution neutron powder diffraction and single crystal measurements on the ferromagnetic shape memory compound Ni 2 MnGa have been carried out. They enabled the sequence of transformations which take place when the unstressed, stoichiometric compound is cooled from 400 to 20 K to be established. For the first time the crystallographic structure of each of the phases which occur has been determined. At 400 K the compound has the cubic L2 1 structure, and orders ferromagnetically at T C ∼ 365 K. On cooling below ∼ 260 K a super-structure, characterized by tripling of the repeat in one of the (110) cubic directions, forms. This phase, known as the pre-martensitic phase, persists down to the structural phase transition at T M ∼ 200 K and can be described by an orthorhombic unit cell with lattice parameters a ortho = 1/√2a cubic , b ortho = 3/√2a cubic , c ortho = a cubic and space group Pnnm. Below T M the compound has a related orthorhombic super-cell with b ortho ∼ 7/√2a cubic , which can be described within the same space group. The new modulation appears abruptly at T M and remains stable down to at least 20 K

Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO3 material

Directory of Open Access Journals (Sweden)

Renan A. P. Ribeiro

2014-01-01

Full Text Available Resulting from ion displacement in a solid under pressure, piezoelectricity is an electrical polarization that can be observed in perovskite-type electronic ceramics, such as PbTiO3, which present cubic and tetragonal symmetries at different pressures. The transition between these crystalline phases is determined theoretically through the bulk modulus from the relationship between material energy and volume. However, the change in the material molecular structure is responsible for the piezoelectric effect. In this study, density functional theory calculations using the Becke 3-Parameter-Lee-Yang-Parr hybrid functional were employed to investigate the structure and properties associated with the transition state of the tetragonal-cubic phase change in PbTiO3 material.

The electric field of a uniformly charged cubic shell

Science.gov (United States)

McCreery, Kaitlin; Greenside, Henry

2018-01-01

As an integrative and insightful example for undergraduates learning about electrostatics, we discuss how to use symmetry, Coulomb's law, superposition, Gauss's law, and visualization to understand the electric field E (x ,y ,z ) produced by a uniformly charged cubic shell. We first discuss how to deduce qualitatively, using freshman-level physics, the perhaps surprising fact that the interior electric field is nonzero and has a complex structure, pointing inwards from the middle of each face of the shell and pointing outwards towards each edge and corner. We then discuss how to understand the quantitative features of the electric field by plotting an analytical expression for E along symmetry lines and on symmetry surfaces of the shell.

The cyclicity of a cubic system with nonradical Bautin ideal

Science.gov (United States)

Levandovskyy, Viktor; Romanovski, Valery G.; Shafer, Douglas S.

We present a method for investigating the cyclicity of an elementary focus or center of a polynomial system of differential equations by means of complexification of the system and application of algorithms of computational algebra, showing an approach to treating the case that the Bautin ideal B of focus quantities is not a radical ideal (more precisely, when the ideal B is not radical, where B is the ideal generated by the shortest initial string of focus quantities that, like the Bautin ideal, determines the center variety). We illustrate the method with a family of cubic systems.

Method of forming an abrasive compact of cubic boron nitride

International Nuclear Information System (INIS)

Bell, F.R.

1976-01-01

This patent concerns an abrasive compact comprising diamond or cubic boron nitride or mixtures thereof held in a matrix of a refractory substance and a substance which dissolves the abrasive particle to at least a limited extent. The compact may be made by subjecting a powdered mixture of the ingredients to conditions of temperature and pressure at which the abrasive particle is crystallographically stable and the solvent substance acts to dissolve the abrasive particle. The refractory substance and solvent substance are preferably so chosen that during compact manufacture there is interaction resulting in the formation of a hard material

New cubic perovskites for one- and two-photon water splitting using the computational materials repository

DEFF Research Database (Denmark)

Castelli, Ivano Eligio; Landis, David; Thygesen, Kristian Sommer

2012-01-01

screening of around 19 000 oxides, oxynitrides, oxysulfides, oxyfluorides, and oxyfluoronitrides in the cubic perovskite structure with PEC applications in mind. We address three main applications: light absorbers for one- and two-photon water splitting and high-stability transparent shields to protect...

Experimental broadband absorption enhancement in silicon nanohole structures with optimized complex unit cells.

Science.gov (United States)

Lin, Chenxi; Martínez, Luis Javier; Povinelli, Michelle L

2013-09-09

We design silicon membranes with nanohole structures with optimized complex unit cells that maximize broadband absorption. We fabricate the optimized design and measure the optical absorption. We demonstrate an experimental broadband absorption about 3.5 times higher than an equally-thick thin film.

Cubic scaling algorithms for RPA correlation using interpolative separable density fitting

Science.gov (United States)

Lu, Jianfeng; Thicke, Kyle

2017-12-01

We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in χ0 by use of Cauchy's integral formula. This introduces an additional integral to be carried out, for which we provide a geometrically convergent quadrature rule. Our scheme also uses the newly developed Interpolative Separable Density Fitting algorithm to further reduce the computational cost in a way analogous to that of the Resolution of Identity method.

Modeling, simulation, parametric study and economic assessment of reciprocating internal combustion engine integrated with multi-effect desalination unit

International Nuclear Information System (INIS)

Salimi, Mohsen; Amidpour, Majid

2017-01-01

Highlights: • Integration of small MED unit with gas engine power cycle is studied in this paper. • Modeling, simulation, parametric study and sensitivity analysis were performed. • A thermodynamic model for heat recovery and power generation of the gas engine has been presented. • Annualized Cost of System (ACS) has been employed for economic assessment. • Economic feasibilty dependence of integrated system on natural gas and water prices has been investigated. - Abstract: Due to thermal nature of multi-effect desalination (MED), its integration with a suitable power cycle is highly desirable for waste heat recovery. One of the proper power cycle for proposed integration is internal combustion engine (ICE). The exhaust gas heat of ICE is used to produce motive steam for the required heat for the first effect of MED system. Also, the water jacket heat is utilized in a heat exchanger to pre-heat the seawater. This paper studies a thermodynamic model for a tri-generation system composed of ICE integrated with MED. The ICE thermodynamic model has been used in place of different empirical efficiency relations to estimate performance – load curves reasonably. The entire system performance has been coded in MATLAB, and the results of proposed thermodynamic model for the engine have been verified by manufacturer catalogue. By increasing the engine load from 40% to 100%, the water production of MED unit will increase from 4.38 cubic meters per day to 26.78 cubic meters per day and the tri-generation efficiency from 31% to 56%. Economic analyses of the MED unit integrated with ICE was performed based on Annualized Cost of System method. This integration makes the system more economical. It has been determined that in higher market prices for fresh water (more than 7 US$ per cubic meter), the increase in effects number is more significant to the period of return decrement.

Trends in lumber processing in the Western United States. Part II: Overrun and lumber recovery factors.

Science.gov (United States)

Charles E. Keegan; Todd A. Morgan; Keith A. Blatner; Jean M. Daniels

2010-01-01

This article describes trends in three measures of lumber recovery for sawmills in the western United States: lumber overrun (LO), lumber recovery factor (LRF), and cubic lumber recovery (CLR). All states and regions showed increased LO during the last three decades. Oregon and Montana had the highest LO at 107 and 100 percent, respectively. Alaska had the lowest LO at...

Inelastic collision of two solitons for generalized BBM equation with cubic nonlinearity

Directory of Open Access Journals (Sweden)

Jingdong Wei

2015-06-01

Full Text Available We study the inelastic collision of two solitary waves of different velocities for the generalized Benjamin-Bona-Mahony (BBM equation with cubic nonlinearity. It shows that one solitary wave is smaller than the other one in the H^1(R energy space. We explore the sharp estimates of the nonzero residue due to the collision, and prove the inelastic collision of two solitary waves and nonexistence of a pure 2-soliton solution.

Solutions to the equations describing materials with competing quadratic and cubic nonlinearities

International Nuclear Information System (INIS)

Li-Na, Zhao; Ji, Lin; Zi-Shuang, Tong

2009-01-01

The Lie group theoretical method is used to study the equations describing materials with competing quadratic and cubic nonlinearities. The equations share some of the nice properties of soliton equations. From the elliptic functions expansion method, we obtain large families of analytical solutions, in special cases, we have the periodic, kink and solitary solutions of the equations. Furthermore, we investigate the stability of these solutions under the perturbation of amplitude noises by numerical simulation

Synthesis of Cubic Phase-Co Microspheres by Mechanical Solid-State Reaction-Thermal Decomposition and Research on Its Growth Kinetics

Directory of Open Access Journals (Sweden)

Ying Deng

2016-01-01

Full Text Available Cubic phase cobalt (Co, which can be used as a key component for composite materials given its excellent ductility and internal structure, is not easy to obtain at room temperature. In this study, oxalic acid and cobalt nitrate are used as raw materials to synthesize the cobalt oxalate precursor, which has a stable structure with a five-membered chelate ring. Cobalt oxalate microspheres, having a high internal energy content, were prepared by using mechanical solid-state reaction in the presence of a surfactant, which can produce spherical micelles. The thermal decomposition of the precursor was carried out by maintaining it in a nitrogen atmosphere at 450°C for 3 h. At the end of the procedure, 100 nm cubic phase-Co microspheres, stable at room temperature, were obtained. Isothermal and nonisothermal kinetic mechanisms of cobalt grain growth were investigated. The cubic-Co grain growth activation energy, Q, was calculated in this study to be 71.47 kJ/mol. The required reaction temperature was low, making the production process simple and suitable for industrial applications.

Formation of cubic phases from large unilamellar vesicles of dioleoylphosphatidylglycerol/monoolein membranes induced by low concentrations of Ca2+.

Science.gov (United States)

Awad, Tarek S; Okamoto, Yoshihide; Masum, Shah Md; Yamazaki, Masahito

2005-12-06

We developed a new method for the transformation of large unilamellar vesicles (LUVs) into the cubic phase. We found that the addition of low concentrations of Ca(2+) to suspensions of multilamellar vesicles (MLVs) of membranes of monoolein (MO) and dioleoylphosphatidylglycerol (DOPG) mixtures (DOPG/MO) changed their L(alpha) phase to the cubic phases. For instance, the addition of 15-25 mM Ca(2+) to 30%-DOPG/70%-MO-MLVs induced the Q(229) phase, whereas the addition of > or =28 mM Ca(2+) induced the Q(224) phase. LUVs of DOPG/MO membranes containing > or =25 mol % DOPG were prepared easily. Low concentrations of Ca(2+) transformed these LUVs in excess buffer into the Q(224) or the Q(229) phase, depending on the Ca(2+) concentration. For example, 15 and 50 mM Ca(2+) induced the Q(224) and Q(229) phase in the 30%-DOPG/70%-MO-LUVs at 25 degrees C, respectively. This finding is the first demonstration of transformation of LUVs of lipid membranes into the cubic phase under excess water condition.

Numerical study of three-dimensional natural convection and entropy generation in a cubical cavity with partially active vertical walls

Directory of Open Access Journals (Sweden)

Abdullah A.A.A Al-Rashed

2017-09-01

Full Text Available Natural convection and entropy generation due to the heat transfer and fluid friction irreversibilities in a three-dimensional cubical cavity with partially heated and cooled vertical walls has been investigated numerically using the finite volume method. Four different arrangements of partially active vertical sidewalls of the cubical cavity are considered. Numerical calculations are carried out for Rayleigh numbers from (103 ≤ Ra ≤ 106, various locations of the partial heating and cooling vertical sidewalls, while the Prandtl number of air is considered constant as Pr=0.7 and the irreversibility coefficient is taken as (φ=10−4. The results explain that the total entropy generation rate increases when the Rayleigh number increases. While, the Bejan number decreases as the Rayleigh number increases. Also, it is found that the arrangements of heating and cooling regions have a significant effect on the fluid flow and heat transfer characteristics of natural convection and entropy generation in a cubical cavity. The Middle-Middle arrangement produces higher values of average Nusselt numbers.

Experimental core electron density of cubic boron nitride

DEFF Research Database (Denmark)

Wahlberg, Nanna; Bindzus, Niels; Bjerg, Lasse

as well as experimental result. The redistribution of electron density will, if not accounted for, result in increased thermal parameters. It is estimated that 1.7-2 electrons is transferred from boron to nitrogen. [1]: N. Bindzus, T. Straasø, N. Wahlberg, J. Becker, L. Bjerg, N. Lock, A.-C. Dippel, and B......Experimental core electron density of cubic boron nitride Nanna Wahlberg*, Niels Bindzus*, Lasse Bjerg*, Jacob Becker*, and Bo B. Iversen* *Aarhus University, Department of Chemistry, CMC, Langelandsgade 140, 8000 Århus, Denmark The resent progress in powder diffraction provides data of quality...... obtained. The displacement parameters reported here are significantly lower than those previously reported, stressing the importance of an adequate description of the core density. The charge transfer from boron to nitrogen clearly affects the inner electron density, which is evident from theoretical...

Modeling of Asphaltene Precipitation from Crude Oil with the Cubic Plus Association Equation of State

DEFF Research Database (Denmark)

Arya, Alay; Liang, Xiaodong; von Solms, Nicolas

2017-01-01

In this study, different modeling approaches using the Cubic Plus Association (CPA) equation of state (EoS) are developed to calculate the asphaltene precipitation onset condition and asphaltene yield from degassed crude oil during the addition of n-paraffin. A single model parameter is fitted...

Visualization of membrane protein crystals in lipid cubic phase using X-ray imaging

International Nuclear Information System (INIS)

Warren, Anna J.; Armour, Wes; Axford, Danny; Basham, Mark; Connolley, Thomas; Hall, David R.; Horrell, Sam; McAuley, Katherine E.; Mykhaylyk, Vitaliy; Wagner, Armin; Evans, Gwyndaf

2013-01-01

A comparison of X-ray diffraction and radiographic techniques for the location and characterization of protein crystals is demonstrated on membrane protein crystals mounted within lipid cubic phase material. The focus in macromolecular crystallography is moving towards even more challenging target proteins that often crystallize on much smaller scales and are frequently mounted in opaque or highly refractive materials. It is therefore essential that X-ray beamline technology develops in parallel to accommodate such difficult samples. In this paper, the use of X-ray microradiography and microtomography is reported as a tool for crystal visualization, location and characterization on the macromolecular crystallography beamlines at the Diamond Light Source. The technique is particularly useful for microcrystals and for crystals mounted in opaque materials such as lipid cubic phase. X-ray diffraction raster scanning can be used in combination with radiography to allow informed decision-making at the beamline prior to diffraction data collection. It is demonstrated that the X-ray dose required for a full tomography measurement is similar to that for a diffraction grid-scan, but for sample location and shape estimation alone just a few radiographic projections may be required

Visualization of membrane protein crystals in lipid cubic phase using X-ray imaging

Energy Technology Data Exchange (ETDEWEB)

Warren, Anna J. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Armour, Wes [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Oxford e-Research Centre, 7 Keble Road, Oxford OX1 3QG (United Kingdom); Axford, Danny; Basham, Mark; Connolley, Thomas; Hall, David R. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Horrell, Sam [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); University of Liverpool, Liverpool L69 3BX (United Kingdom); McAuley, Katherine E.; Mykhaylyk, Vitaliy; Wagner, Armin; Evans, Gwyndaf, E-mail: gwyndaf.evans@diamond.ac.uk [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom)

2013-07-01

A comparison of X-ray diffraction and radiographic techniques for the location and characterization of protein crystals is demonstrated on membrane protein crystals mounted within lipid cubic phase material. The focus in macromolecular crystallography is moving towards even more challenging target proteins that often crystallize on much smaller scales and are frequently mounted in opaque or highly refractive materials. It is therefore essential that X-ray beamline technology develops in parallel to accommodate such difficult samples. In this paper, the use of X-ray microradiography and microtomography is reported as a tool for crystal visualization, location and characterization on the macromolecular crystallography beamlines at the Diamond Light Source. The technique is particularly useful for microcrystals and for crystals mounted in opaque materials such as lipid cubic phase. X-ray diffraction raster scanning can be used in combination with radiography to allow informed decision-making at the beamline prior to diffraction data collection. It is demonstrated that the X-ray dose required for a full tomography measurement is similar to that for a diffraction grid-scan, but for sample location and shape estimation alone just a few radiographic projections may be required.

Additively Manufactured Open-Cell Porous Biomaterials Made from Six Different Space-Filling Unit Cells : The Mechanical and Morphological Properties

NARCIS (Netherlands)

Ahmadi, S.M.; Yavari, S.A.; Wauthle, R.; Pouran, B.; Schrooten, J.; Weinans, H.; Zadpoor, A.A.

2015-01-01

It is known that the mechanical properties of bone-mimicking porous biomaterials are a function of the morphological properties of the porous structure, including the configuration and size of the repeating unit cell from which they are made. However, the literature on this topic is limited,

Numerical Studies on Natural Convection Heat Losses from Open Cubical Cavities

Directory of Open Access Journals (Sweden)

M. Prakash

2013-01-01

Full Text Available The natural convection heat losses occurring from cubical open cavities are analysed in this paper. Open cubical cavities of sides 0.1 m, 0.2 m, 0.25 m, 0.5 m, and 1 m with constant temperature back wall boundary conditions and opening ratio of 1 are studied. The Fluent CFD software is used to analyse the three-dimensional (3D cavity models. The studies are carried out for cavities with back wall temperatures between 35°C and 100°C. The effect of cavity inclination on the convective loss is analysed for angles of 0° (cavity facing sideways, 30°, 45°, 60°, and 90° (cavity facing vertically downwards. The Rayleigh numbers involved in this study range between 4.5 × 105 and 1.5 × 109. The natural convection loss is found to increase with an increase in back wall temperature. The natural convection loss is observed to decrease with an increase in cavity inclination; the highest convective loss being at 0° and the lowest at 90° inclination. This is observed for all cavities analysed here. Nusselt number correlations involving the effect of Rayleigh number and the cavity inclination angle have been developed from the current studies. These correlations can be used for engineering applications such as electronic cooling, low- and medium-temperature solar thermal systems, passive architecture, and also refrigeration systems.

Heat capacities, third-law entropies and thermodynamic functions of the negative thermal expansion materials, cubic {alpha}-ZrW{sub 2}O{sub 8} and cubic ZrMo{sub 2}O{sub 8}, from T=(0 to 400) K

Energy Technology Data Exchange (ETDEWEB)

Stevens, Rebecca; Linford, Jessica; Woodfield, Brian F.; Boerio-Goates, Juliana. E-mail: boerio-goates@byu.edu; Lind, Cora; Wilkinson, Angus P.; Kowach, Glen

2003-06-01

The molar heat capacities of crystalline cubic {alpha}-ZrW{sub 2}O{sub 8} and cubic ZrMo{sub 2}O{sub 8} have been measured at temperatures from (0.6 to 400) K. At T=298.15 K, the standard molar heat capacities are (207.01{+-}0.21) J{center_dot}K{sup -1}{center_dot}mol{sup -1} for the tungstate and (210.06{+-}0.42) J{center_dot}K{sup -1}{center_dot}mol{sup -1} for the molybdate. Thermodynamic functions have been generated from smoothed fits of the experimental results. The standard molar entropies for the tungstate and molybdate are (257.96{+-}0.50) J{center_dot}K{sup -1}{center_dot}mol{sup -1} and (254.3{+-}1) J{center_dot}K{sup -1}{center_dot}mol{sup -1}, respectively. The uncertainty of the entropy of the cubic ZrMo{sub 2}O{sub 8} is larger due to the presence of small chemical and phase impurities whose effects cannot be corrected for at this time. The heat capacities of the negative thermal expansion materials have been compared to the weighted sums of their constituent binary oxides. Both negative thermal expansion materials have heat capacities which are significantly greater than the sum of the binary oxides over the entire temperature region.

Polymorphism of tungsten perovskite compounds Ba/sub 2/SEsub(0. 67)WO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (F.R. Germany). Inst. fuer Anorganische Chemie

1976-09-01

The compounds Ba/sub 2/SEsub(0.67)WO/sub 6/ with SE = Gd-Lu are polymorphic. Above 1200/sup 0/C the instable cubic modification (ordered perovskite with 4 formula units Ba/sub 2/SEsub(0.67)vacantsub(0.33)WO/sub 6/ per cell) transforms irreversibly into a hexagonal modification with completely filled cationic lattice. For Ba/sub 2/Eusub(0.67)WO/sub 6/ the transformation is incomplete. With SE = Nd and Sm only the cubic modification is formed.

On local and global aspects of the 1:4 resonance in the conservative cubic Hénon maps

Science.gov (United States)

Gonchenko, M.; Gonchenko, S. V.; Ovsyannikov, I.; Vieiro, A.

2018-04-01

We study the 1:4 resonance for the conservative cubic Hénon maps C± with positive and negative cubic terms. These maps show up different bifurcation structures both for fixed points with eigenvalues ±i and for 4-periodic orbits. While for C-, the 1:4 resonance unfolding has the so-called Arnold degeneracy [the first Birkhoff twist coefficient equals (in absolute value) to the first resonant term coefficient], the map C+ has a different type of degeneracy because the resonant term can vanish. In the last case, non-symmetric points are created and destroyed at pitchfork bifurcations and, as a result of global bifurcations, the 1:4 resonant chain of islands rotates by π/4. For both maps, several bifurcations are detected and illustrated.

Stepwise synthesis of cubic Au-AgCdS core-shell nanostructures with tunable plasmon resonances and fluorescence.

Science.gov (United States)

Liu, Xiao-Li; Liang, Shan; Nan, Fan; Pan, Yue-Yue; Shi, Jun-Jun; Zhou, Li; Jia, Shuang-Feng; Wang, Jian-Bo; Yu, Xue-Feng; Wang, Qu-Quan

2013-10-21

Cubic Au-AgCdS core-shell nanostructures were synthesized through cation exchange method assisted by tributylphosphine (TBP) as a phase-transfer agent. Among intermediate products, Au-Ag core-shell nanocubes exhibited many high-order plasmon resonance modes related to the special cubic shape, and these plasmon bands red-shifted along with the increasing of particle size. The plasmon band of Au core first red-shifted and broadened at the step of Au-Ag₂S and then blue-shifted and narrowed at the step of Au-AgCdS. Since TBP was very crucial for the efficient conversion from Ag₂S to CdS, we found that both absorption and fluorescence of the final products could be controlled by TBP.

Cubic liquid crystalline nanoparticles containing a polysaccharide from Ulva fasciata with potent antihyperlipidaemic activity

Directory of Open Access Journals (Sweden)

Azza A. Matloub

2018-02-01

Full Text Available The present study involves the preparation of cubic liquid crystalline nanoparticles (cubsomes for liver targeting to assess the potential of a formulated bioactive polysaccharide isolated from the hot aqueous extract of Ulva fasciata as an alternative natural agent with anti-hyperlipidaemic activity. Cubosomal nanoparticles were prepared by disrupting the cubic gel phase of the polysaccharide and water in the presence of a surfactant. Different lipid matrices and stabilizers were tested. All the formulations were in the nanosize range and showed sufficient negative charge to inhibit the aggregation of the cubosomes. Drug entrapment efficiencies (EEs% were determined and in vitro release studies were performed. Transmission electron microscopy (TEM and differential scanning calorimetry were used to analyze the loaded cubosomal nanoparticles containing glyceryl monostearate (GMO 2.25 g, poloxamer 407 (0.25 g and 50 mg of the polysaccharide. A preclinical study comparing the cubic liquid crystalline nanoparticles containing polysaccharide to fluvastatin as a reference drug in hyperlipidaemic rats was conducted. The rats treated with the polysaccharide- loaded cubosomes showed significant decreases in total cholesterol (TC, triglycerides (TG and total lipid (TL compared to the untreated HL rats. In addition, oxidative stress and antioxidant biomarkers were measured in the HL rats. Compared to the untreated HL rats, the cubosome treated rats showed a significant reduction in malondialdehyde (MDA, whereas insignificant changes were detected in nitric oxide (NO, glutathione (GSH levels and total antioxidant capacity (TAC. Further, vascular and intercellular adhesion molecules (VCAM, ICAM, and myeloperoxidase were demonstrated. A histopathological examination was conducted to study the alterations in histopathological lesions and to document the biochemical results. In conclusion, this study demonstrates the superiority of using a natural lipid

First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

Directory of Open Access Journals (Sweden)

F. L. Freitas

2016-08-01

Full Text Available We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal AlxGayIn1–x–yN semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.

First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

Energy Technology Data Exchange (ETDEWEB)

Freitas, F. L., E-mail: felipelopesfreitas@gmail.com; Marques, M.; Teles, L. K. [Grupo de Materiais Semicondutores e Nanotecnologia, Instituto Tecnológico de Aeronáutica, 12228-900 São José dos Campos, SP (Brazil)

2016-08-15

We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal Al{sub x}Ga{sub y}In{sub 1–x–y}N semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.

Major design issues of molten carbonate fuel cell power generation unit

Energy Technology Data Exchange (ETDEWEB)

Chen, T.P.

1996-04-01

In addition to the stack, a fuel cell power generation unit requires fuel desulfurization and reforming, fuel and oxidant preheating, process heat removal, waste heat recovery, steam generation, oxidant supply, power conditioning, water supply and treatment, purge gas supply, instrument air supply, and system control. These support facilities add considerable cost and system complexity. Bechtel, as a system integrator of M-C Power`s molten carbonate fuel cell development team, has spent substantial effort to simplify and minimize these supporting facilities to meet cost and reliability goals for commercialization. Similiar to other fuels cells, MCFC faces design challenge of how to comply with codes and standards, achieve high efficiency and part load performance, and meanwhile minimize utility requirements, weight, plot area, and cost. However, MCFC has several unique design issues due to its high operating temperature, use of molten electrolyte, and the requirement of CO2 recycle.

3D-Printing Crystallographic Unit Cells for Learning Materials Science and Engineering

Science.gov (United States)

Rodenbough, Philip P.; Vanti, William B.; Chan, Siu-Wai

2015-01-01

Introductory materials science and engineering courses universally include the study of crystal structure and unit cells, which are by their nature highly visual 3D concepts. Traditionally, such topics are explored with 2D drawings or perhaps a limited set of difficult-to-construct 3D models. The rise of 3D printing, coupled with the wealth of…

Effect of cubic Dresselhaus interaction on the longitudinal optical conductivity of a spin-orbit coupled system

Science.gov (United States)

Cruz, Elmer; López-Bastidas, Catalina; Maytorena, Jesús A.

2018-03-01

We investigate the effect of the oft-neglected cubic terms of the Dresselhaus spin-orbit coupling on the longitudinal current response of a two-dimensional electron gas with both Rashba and linear Dresselhaus interactions. For a quantum well grown in the [001] direction, the changes caused by these nonlinear-in-momentum terms on the absorption spectrum become more notable under SU(2) symmetry conditions, when the Rashba and linear Dresselhaus coupling strengths are tuned to be equal. The longitudinal optical response no longer vanishes then and shows a strong dependence on the direction of the externally applied electric field, giving a signature of the relative size of several spin-orbit contributions. This anisotropic response arises from the nonisotropic splitting of the spin states induced by the interplay of Rashba and Dresselhaus couplings. However, the presence of cubic terms introduces characteristic spectral features and can modify the overall shape of the spectra for some values of the relative sizes of the spin-orbit parameters. We compare this behavior to the case of a sample with [110] crystal orientation which, under conditions of spin-preserving symmetry, has a collinear spin-orbit vector field that leads to vanishing conductivity, even in the presence of cubic terms. In addition to the control through the driven frequency or electrical gating, such a directional aspect of the current response suggests new ways of manipulation and supports the use of interband optics as a sensitive probe of spin-orbit mechanisms in semiconductor spintronics.

Gevrey multiscale expansions of singular solutions of PDEs with cubic nonlinearity

Directory of Open Access Journals (Sweden)

Alberto Lastra

2018-02-01

Full Text Available We study a singularly perturbed PDE with cubic nonlinearity depending on a complex perturbation parameter $\\epsilon$. This is a continuation of the precedent work [22] by the first author. We construct two families of sectorial meromorphic solutions obtained as a small perturbation in $\\epsilon$ of two branches of an algebraic slow curve of the equation in time scale. We show that the nonsingular part of the solutions of each family shares a common formal power series in $\\epsilon$ as Gevrey asymptotic expansion which might be different one to each other, in general.

Growth of InAs Wurtzite Nanocrosses from Hexagonal and Cubic Basis

DEFF Research Database (Denmark)

Krizek, Filip; Kanne, Thomas; Razmadze, Davydas

2017-01-01

. Two methods use conventional wurtzite nanowire arrays as a 6-fold hexagonal basis for growing single crystal wurtzite nanocrosses. A third method uses the 2-fold cubic symmetry of (100) substrates to form well-defined coherent inclusions of zinc blende in the center of the nanocrosses. We show......Epitaxially connected nanowires allow for the design of electron transport experiments and applications beyond the standard two terminal device geometries. In this Letter, we present growth methods of three distinct types of wurtzite structured InAs nanocrosses via the vapor-liquid-solid mechanism...

CLIMATE CHANGE FUEL CELL PROGRAM UNITED STATES COAST GUARD AIR STATION CAPE COD BOURNE, MASSACHUSETTS

Energy Technology Data Exchange (ETDEWEB)

John K. Steckel Jr

2004-06-30

This report covers the first year of operation of a fuel cell power plant, installed by PPL Spectrum, Inc. (PPL) under contract with the United States Coast Guard (USCG), Research and Development Center (RDC). The fuel cell was installed at Air Station Cape Cod in Bourne, MA. The project had the support of the Massachusetts Technology Collaborative (MTC), the Department of Energy (DOE), and Keyspan Energy. PPL selected FuelCell Energy, Inc. (FCE) and its fuel cell model DFC{reg_sign}300 for the contract. Grant contributions were finalized and a contract between PPL and the USCG for the manufacture, installation, and first year's maintenance of the fuel cell was executed on September 24, 2001. As the prime contractor, PPL was responsible for all facets of the project. All the work was completed by PPL through various subcontracts, including the primary subcontract with FCE for the manufacture, delivery, and installation of the fuel cell. The manufacturing and design phases proceeded in a relatively timely manner for the first half of the project. However, during latter stages of manufacture and fuel cell testing, a variety of issues were encountered that ultimately resulted in several delivery delays, and a number of contract modifications. Final installation and field testing was completed in April and May 2003. Final acceptance of the fuel cell was completed on May 16, 2003. The fuel cell has operated successfully for more than one year. The unit achieved an availability rate of 96%, which exceeded expectations. The capacity factor was limited because the unit was set at 155 kW (versus a nameplate of 250 kW) due to the interconnection with the electric utility. There were 18 shutdowns during the first year and most were brief. The ability of this plant to operate in the island mode improved availability by 3 to 4%. Events that would normally be shutdowns were simply island mode events. The mean time between failure was calculated at 239 hours, or slightly

Quantum-Carnot engine for particle confined to cubic potential

Energy Technology Data Exchange (ETDEWEB)

Sutantyo, Trengginas Eka P., E-mail: trengginas.eka@gmail.com; Belfaqih, Idrus H., E-mail: idrushusin21@gmail.com; Prayitno, T. B., E-mail: teguh-budi@unj.ac.id [Department of Physics, State University of Jakarta, Jl. Pemuda No.10, Rawamangun, Jakarta Timur 13220 (Indonesia)

2015-09-30

Carnot cycle consists of isothermal and adiabatic processes which are reversible. Using analogy in quantum mechanics, these processes can be well explained by replacing variables in classical process with a quantum system. Quantum system which is shown in this paper is a particle that moves under the influence of a cubic potential which is restricted only to the state of the two energy levels. At the end, the efficiency of the system is shown as a function of the width ratio between the initial conditions and the farthest wall while expanding. Furthermore, the system efficiency will be considered 1D and 2D cases. The providing efficiencies are different due to the influence of the degeneration of energy and the degrees of freedom of the system.

Quantum-Carnot engine for particle confined to cubic potential

International Nuclear Information System (INIS)

Sutantyo, Trengginas Eka P.; Belfaqih, Idrus H.; Prayitno, T. B.

2015-01-01

Carnot cycle consists of isothermal and adiabatic processes which are reversible. Using analogy in quantum mechanics, these processes can be well explained by replacing variables in classical process with a quantum system. Quantum system which is shown in this paper is a particle that moves under the influence of a cubic potential which is restricted only to the state of the two energy levels. At the end, the efficiency of the system is shown as a function of the width ratio between the initial conditions and the farthest wall while expanding. Furthermore, the system efficiency will be considered 1D and 2D cases. The providing efficiencies are different due to the influence of the degeneration of energy and the degrees of freedom of the system

Point defects in cubic boron nitride after neutron irradiation

International Nuclear Information System (INIS)

Atobe, Kozo; Honda, Makoto; Ide, Munetoshi; Yamaji, Hiromichi; Matsukawa, Tokuo; Fukuoka, Noboru; Okada, Moritami; Nakagawa, Masuo.

1993-01-01

The production of point defects induced by reactor neutrons and the thermal behavior of defects in sintered cubic boron nitride are investigated using the optical absorption and electron spin resonance (ESR) methods. A strong structureless absorption over the visible region was observed after fast neutron irradiation to a dose of 5.3 x 10 16 n/cm 2 (E > 0.1 MeV) at 25 K. This specimen also shows an ESR signal with g-value 2.006 ± 0.001, which can be tentatively identified as an electron trapped in a nitrogen vacancy. On examination of the thermal decay of the signal, the activation energy for recovery of the defects was determined to be about 1.79 eV. (author)

Dynamic Displacement Disorder of Cubic BaTiO3

Science.gov (United States)

Paściak, M.; Welberry, T. R.; Kulda, J.; Leoni, S.; Hlinka, J.

2018-04-01

The three-dimensional distribution of the x-ray diffuse scattering intensity of BaTiO3 has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell model. Together, these have allowed the details of the disorder in paraelectric BaTiO3 to be clarified. The narrow sheets of diffuse scattering, related to the famous anisotropic longitudinal correlations of Ti ions, are shown to be caused by the overdamped anharmonic soft phonon branch. This finding demonstrates that the occurrence of narrow sheets of diffuse scattering agrees with a displacive picture of the cubic phase of this textbook ferroelectric material. The presented methodology allows one to go beyond the harmonic approximation in the analysis of phonons and phonon-related scattering.

Modeling of long-range memory processes with inverse cubic distributions by the nonlinear stochastic differential equations

Science.gov (United States)

Kaulakys, B.; Alaburda, M.; Ruseckas, J.

2016-05-01

A well-known fact in the financial markets is the so-called ‘inverse cubic law’ of the cumulative distributions of the long-range memory fluctuations of market indicators such as a number of events of trades, trading volume and the logarithmic price change. We propose the nonlinear stochastic differential equation (SDE) giving both the power-law behavior of the power spectral density and the long-range dependent inverse cubic law of the cumulative distribution. This is achieved using the suggestion that when the market evolves from calm to violent behavior there is a decrease of the delay time of multiplicative feedback of the system in comparison to the driving noise correlation time. This results in a transition from the Itô to the Stratonovich sense of the SDE and yields a long-range memory process.

Cubic spline numerical solution of an ablation problem with convective backface cooling

Science.gov (United States)

Lin, S.; Wang, P.; Kahawita, R.

1984-08-01

An implicit numerical technique using cubic splines is presented for solving an ablation problem on a thin wall with convective cooling. A non-uniform computational mesh with 6 grid points has been used for the numerical integration. The method has been found to be computationally efficient, providing for the care under consideration of an overall error of about 1 percent. The results obtained indicate that the convective cooling is an important factor in reducing the ablation thickness.

Single-particle And Collective Effects Of Cubic Nonlinearity In The Beam Dynamics Of Proton Synchrotrons

CERN Document Server

Tran Hy, J

1998-01-01

This thesis describes some new studies of the effects of cubic nonlinearities arising from image-charge forces and octupole magnets on the transverse beam dynamics of proton synchrotrons and storage rings, and also a study of the damping of coherent oscillations using a feed-back damper. In the latter case, various corrective algorithms were modeled using linear one-turn maps. Kicks of fixed amplitude but appropriate sign were shown to provide linear damping and no coherent tune shift, though the rate predicted analytically was somewhat higher than that observed in simulations. This algorithm gave much faster damping (for equal power) than conventional proportional kicks, which damp exponentially. Two single-particle effects of the image-change force were investigated: distortion of the momentum dispersion function and amplitude dependence of the betatron tunes (resulting in tune spread). The former is calculated using transfer maps and the method of undetermined coefficients, the latter by solving the cubic ...

G2 cubic transition between two circles with shape control

Science.gov (United States)

Habib, Zulfiqar; Sakai, Manabu

2009-01-01

This paper describes a method for joining two circles with an S-shaped or with a broken back C-shaped transition curve, composed of at most two spiral segments. In highway and railway route design or car-like robot path planning, it is often desirable to have such a transition. It is shown that a single cubic curve can be used for blending or for a transition curve preserving G2 continuity with local shape control parameter and more flexible constraints. Provision of the shape parameter and flexibility provide freedom to modify the shape in a stable manner which is an advantage over previous work by Meek, Walton, Sakai and Habib.

Critical temperature of noninteracting bosonic gases in cubic optical lattices at arbitrary integer fillings.

Science.gov (United States)

Rakhimov, Abdulla; Askerzade, Iman N

2014-09-01

We have shown that the critical temperature of a Bose-Einstein condensate to a normal phase transition of noninteracting bosons in cubic optical lattices has a linear dependence on the filling factor, especially at large densities. The condensed fraction exhibits a linear power law dependence on temperature in contrast to the case of ideal homogeneous Bose gases.

On the Effect of Unit-Cell Parameters in Predicting the Elastic Response of Wood-Plastic Composites

Directory of Open Access Journals (Sweden)

Fatemeh Alavi

2013-01-01

Full Text Available This paper presents a study on the effect of unit-cell geometrical parameters in predicting elastic properties of a typical wood plastic composite (WPC. The ultimate goal was obtaining the optimal values of representative volume element (RVE parameters to accurately predict the mechanical behavior of the WPC. For each unit cell, defined by a given combination of the above geometrical parameters, finite element simulation in ABAQUS was carried out, and the corresponding stress-strain curve was obtained. A uniaxial test according to ASTM D638-02a type V was performed on the composite specimen. Modulus of elasticity was determined using hyperbolic tangent function, and the results were compared to the sets of finite element analyses. Main effects of RVE parameters and their interactions were demonstrated and discussed, specially regarding the inclusion of two adjacent wood particles within one unit cell of the material. Regression analysis was performed to mathematically model the RVE parameter effects and their interactions over the modulus of elasticity response. The model was finally employed in an optimization analysis to arrive at an optimal set of RVE parameters that minimizes the difference between the predicted and experimental moduli of elasticity.

Cubic scattering amplitudes for all massless representations of the Poincare group in any space-time dimension

International Nuclear Information System (INIS)

Fradkin, E.S.; Metsaev, R.R.

1996-02-01

Using the language of highest weight representations and the light cone formalism we construct a full list of cubic amplitudes of scattering for all bosonic massless representations of the Poincare group in any even space-time dimension. (author). 29 refs

FIST - a suite of X-ray powder crystallography programs for use with a HP-65 calculator

International Nuclear Information System (INIS)

Ferguson, I.F.; Turek, M.

1977-12-01

Programs for X-ray powder crystallography are defined for use with a Hewlett Packard HP-65 (programmable) pocket calculator. These include the prediction of all Bragg reflections for defined P-, F-, I-cubic, tetragonal, hexagonal and orthorhombic cells; the calculation of the position of a specific Bragg reflection from defined unit cells with all symmetries except triclinic; interconversion of theta, 2theta, sin 2 theta and d, as well as the calculation of the Nelson-Riley function; the computation of crystal densities; the interconversion of rhombohedral and hexagonal unit cells, lsub(c) determinations for graphite, the calculation of a and c for boron carbide; and Miller index transformations between various unit cells. (author)

Cell phone recycling experiences in the United States and potential recycling options in Brazil.

Science.gov (United States)

Silveira, Geraldo T R; Chang, Shoou-Yuh

2010-11-01

This paper presents an overview of cell phone recycling programs currently available in the United States. At the same time, it also provides analyses of the current recycling situation and possible recycling alternatives for Brazil. Although there are several recycling options in the United States, collection rates are still only 10% of all potential devices because customers are not aware of these possibilities. The whole system is financially based on reselling refurbished cell phones and recycled materials to developing countries which represent an effective and strong market. Several recyclers offer funds to collection partners who are either charities or who work with charities while obtaining the materials that they need in order to run their operations. A mobile phone recycling system for Brazil considering the United States experience and the Extended Producer Responsibility (EPR) principle is suggested. A deposit/refund/advance-recycling fee is proposed which might be implemented as a voluntary industrial initiative managed by PRO Brazil, a producer responsibility organization. One widespread public-private agreement will integrate all mobile phone stakeholders, and environmental education actions and promotional events will promote citizen's participation. Copyright © 2010 Elsevier Ltd. All rights reserved.

Molten Salt Breeder Reactor Analysis Based on Unit Cell Model

Energy Technology Data Exchange (ETDEWEB)

Jeong, Yongjin; Choi, Sooyoung; Lee, Deokjung [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

2014-05-15

Contemporary computer codes like the MCNP6 or SCALE are only good for solving a fixed solid fuel reactor. However, due to the molten-salt fuel, MSR analysis needs some functions such as online reprocessing and refueling, and circulating fuel. J. J. Power of Oak Ridge National Laboratory (ORNL) suggested in 2013 a method for simulating the Molten Salt Breeder Reactor (MSBR) with SCALE, which does not support continuous material processing. In order to simulate MSR characteristics, the method proposes dividing a depletion time into short time intervals and batchwise reprocessing and refueling at each step. We are applying this method by using the MCNP6 and PYTHON and NEWT-TRITON-PYTHON and PYTHON code systems to MSBR. This paper contains various parameters to analyze the MSBR unit cell model such as the multiplication factor, breeding ratio, change of amount of fuel, amount of fuel feeding, and neutron flux distribution. The result of MCNP6 and NEWT module in SCALE show some difference in depletion analysis, but it still seems that they can be used to analyze MSBR. Using these two computer code system, it is possible to analyze various parameters for the MSBR unit cells such as the multiplication factor, breeding ratio, amount of material, total feeding, and neutron flux distribution. Furthermore, the two code systems will be able to be used for analyzing other MSR model or whole core models of MSR.

Molten Salt Breeder Reactor Analysis Based on Unit Cell Model

International Nuclear Information System (INIS)

Jeong, Yongjin; Choi, Sooyoung; Lee, Deokjung

2014-01-01

Contemporary computer codes like the MCNP6 or SCALE are only good for solving a fixed solid fuel reactor. However, due to the molten-salt fuel, MSR analysis needs some functions such as online reprocessing and refueling, and circulating fuel. J. J. Power of Oak Ridge National Laboratory (ORNL) suggested in 2013 a method for simulating the Molten Salt Breeder Reactor (MSBR) with SCALE, which does not support continuous material processing. In order to simulate MSR characteristics, the method proposes dividing a depletion time into short time intervals and batchwise reprocessing and refueling at each step. We are applying this method by using the MCNP6 and PYTHON and NEWT-TRITON-PYTHON and PYTHON code systems to MSBR. This paper contains various parameters to analyze the MSBR unit cell model such as the multiplication factor, breeding ratio, change of amount of fuel, amount of fuel feeding, and neutron flux distribution. The result of MCNP6 and NEWT module in SCALE show some difference in depletion analysis, but it still seems that they can be used to analyze MSBR. Using these two computer code system, it is possible to analyze various parameters for the MSBR unit cells such as the multiplication factor, breeding ratio, amount of material, total feeding, and neutron flux distribution. Furthermore, the two code systems will be able to be used for analyzing other MSR model or whole core models of MSR

Comprehensive reliability allocation method for CNC lathes based on cubic transformed functions of failure mode and effects analysis

Science.gov (United States)

Yang, Zhou; Zhu, Yunpeng; Ren, Hongrui; Zhang, Yimin

2015-03-01

Reliability allocation of computerized numerical controlled(CNC) lathes is very important in industry. Traditional allocation methods only focus on high-failure rate components rather than moderate failure rate components, which is not applicable in some conditions. Aiming at solving the problem of CNC lathes reliability allocating, a comprehensive reliability allocation method based on cubic transformed functions of failure modes and effects analysis(FMEA) is presented. Firstly, conventional reliability allocation methods are introduced. Then the limitations of direct combination of comprehensive allocation method with the exponential transformed FMEA method are investigated. Subsequently, a cubic transformed function is established in order to overcome these limitations. Properties of the new transformed functions are discussed by considering the failure severity and the failure occurrence. Designers can choose appropriate transform amplitudes according to their requirements. Finally, a CNC lathe and a spindle system are used as an example to verify the new allocation method. Seven criteria are considered to compare the results of the new method with traditional methods. The allocation results indicate that the new method is more flexible than traditional methods. By employing the new cubic transformed function, the method covers a wider range of problems in CNC reliability allocation without losing the advantages of traditional methods.

Tetragonal-cubic phase boundary in nanocrystalline ZrO2-Y2O3 solid solutions synthesized by gel-combustion

International Nuclear Information System (INIS)

Fabregas, Ismael O.; Craievich, Aldo F.; Fantini, Marcia C.A.; Millen, Ricardo P.; Temperini, Marcia L.A.; Lamas, Diego G.

2011-01-01

Research highlights: → Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO 2 -Y 2 O 3 nanopowders, that exhibit the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms (t' and t'') and the cubic phase. → Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. → The crystallographic features of ZrO 2 -Y 2 O 3 nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. → Compositional t'/t'' and t''/cubic phase boundaries are located at (9 ± 1) and (10.5 ± 0.5) mol% Y 2 O 3 , respectively. → For the whole series of nanocrystalline ZrO 2 -Y 2 O 3 solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO 2 -Y 2 O 3 solid solutions, the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO 2 -Y 2 O 3 solid solutions exhibit the same phases reported in the literature for compositionally homogeneous materials containing larger (micro

Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure

International Nuclear Information System (INIS)

Moreno, M; Barriuso, M T; Aramburu, J A; GarcIa-Fernandez, P; GarcIa-Lastra, J M

2006-01-01

This article reviews the microscopic origin of properties due to transition-metal (TM) impurities, M, in insulator materials. Particular attention is paid to the influence of pressure upon impurity properties. Basic concepts such as the electronic localization in an MX N complex, the electrostatic potential, V R , arising from the rest of the lattice ions or the elastic coupling of the complex to the host lattice are initially exposed. The dependence of optical and magnetic parameters on the impurity-ligand distance, R, in cubic lattices is discussed in a first step. Emphasis is put on the actual origin of the R dependence of 10Dq. Examples revealing that laws for strict cubic symmetry cannot in general be transferred to lower symmetries are later given. This relevant fact is shown to come from allowed hybridizations like nd-(n+1)s as well as the influence of V R . As a salient feature the different colour in ruby and emerald is stressed to arise from distinct V R potentials in Al 2 O 3 and Be 3 Si 6 Al 2 O 18 . The last part of this review deals with electronic instabilities. The phenomena associated with the Jahn-Teller (JT) effect in cubic lattices, the origin of the energy barrier among equivalent minima and the existence of coherent tunnelling in systems like MgO:Cu 2+ are discussed. An increase of elastic coupling is pointed out to favour a transition from an elongated to a compressed equilibrium conformation. Interestingly the equilibrium geometry of JT ions in non-cubic lattices is shown to be controlled by mechanisms different to those in cubic systems, V R playing again a key role. The relevance of first principles calculations for clarifying the subtle mechanisms behind off-centre instabilities is also pointed out. Examples concern monovalent and divalent TM impurities in lattices with the CaF 2 structure. The instability due to the transition from the ground to an excited state is finally considered. For complexes with significant elastic coupling

Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure.

Science.gov (United States)

Moreno, M; Barriuso, M T; Aramburu, J A; García-Fernández, P; García-Lastra, J M

2006-05-03

This article reviews the microscopic origin of properties due to transition-metal (TM) impurities, M, in insulator materials. Particular attention is paid to the influence of pressure upon impurity properties. Basic concepts such as the electronic localization in an MX(N) complex, the electrostatic potential, V(R), arising from the rest of the lattice ions or the elastic coupling of the complex to the host lattice are initially exposed. The dependence of optical and magnetic parameters on the impurity-ligand distance, R, in cubic lattices is discussed in a first step. Emphasis is put on the actual origin of the R dependence of 10Dq. Examples revealing that laws for strict cubic symmetry cannot in general be transferred to lower symmetries are later given. This relevant fact is shown to come from allowed hybridizations like nd-(n+1)s as well as the influence of V(R). As a salient feature the different colour in ruby and emerald is stressed to arise from distinct V(R) potentials in Al(2)O(3) and Be(3)Si(6)Al(2)O(18). The last part of this review deals with electronic instabilities. The phenomena associated with the Jahn-Teller (JT) effect in cubic lattices, the origin of the energy barrier among equivalent minima and the existence of coherent tunnelling in systems like MgO:Cu(2+) are discussed. An increase of elastic coupling is pointed out to favour a transition from an elongated to a compressed equilibrium conformation. Interestingly the equilibrium geometry of JT ions in non-cubic lattices is shown to be controlled by mechanisms different to those in cubic systems, V(R) playing again a key role. The relevance of first principles calculations for clarifying the subtle mechanisms behind off-centre instabilities is also pointed out. Examples concern monovalent and divalent TM impurities in lattices with the CaF(2) structure. The instability due to the transition from the ground to an excited state is finally considered. For complexes with significant elastic coupling

Increased numbers of spleen colony forming units in B cell deficient CBA/N mice

International Nuclear Information System (INIS)

Wiktor-Jedrzejczak, W.; Krupienicz, A.; Scher, I.

1986-01-01

The formation of exogenous and endogenous spleen colonies was studied in immune-defective mice expressing the CBA/N X-linked xid gene. Bone marrow and spleen cells of immune deficient mice formed increased numbers of eight-day exogenous spleen colonies when transferred to either normal or B cell deficient lethally irradiated recipients. Moreover, defective mice showed increased formation of five-day endogenous spleen colonies (derived from transient endogenous colony forming units; T-CFU) and of ten-day endogenous spleen colonies (derived from CFU-S). Among the possible mechanisms responsible for the observed effects, the most probable appears the one in which decreased numbers of B cell precursors stimulate stem cell pools through a feedback mechanism. (orig.) [de

Phase conversion from hexagonal CuS(y)Se(1-y) to cubic Cu(2-x)S(y)Se(1-y): composition variation, morphology evolution, optical tuning, and solar cell applications.

Science.gov (United States)

Xu, Jun; Yang, Xia; Yang, Qingdan; Zhang, Wenjun; Lee, Chun-Sing

2014-09-24

In this work, we report a simple and low-temperature approach for the controllable synthesis of ternary Cu-S-Se alloys featuring tunable crystal structures, compositions, morphologies, and optical properties. Hexagonal CuS(y)Se(1-y) nanoplates and face centered cubic (fcc) Cu(2-x)S(y)Se(1-y) single-crystal-like stacked nanoplate assemblies are synthesized, and their phase conversion mechanism is well investigated. It is found that both copper content and chalcogen composition (S/Se atomic ratio) of the Cu-S-Se alloys are tunable during the phase conversion process. Formation of the unique single-crystal-like stacked nanoplate assemblies is resulted from oriented stacking coupled with the Ostwald ripening effect. Remarkably, optical tuning for continuous red shifts of both the band-gap absorption and the near-infrared localized surface plasmon resonance are achieved. Furthermore, the novel Cu-S-Se alloys are utilized for the first time as highly efficient counter electrodes (CEs) in quantum dot sensitized solar cells (QDSSCs), showing outstanding electrocatalytic activity for polysulfide electrolyte regeneration and yielding a 135% enhancement in power conversion efficiency (PCE) as compared to the noble metal Pt counter electrode.

The water adsorption on the surfaces of SrMO{sub 3} (M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling

Energy Technology Data Exchange (ETDEWEB)

Evarestov, R A; Bandura, A V; Blokhin, E N [Department of Quantum Chemistry, St. Petersburg State University 26 University Ave., Petergoff, St. Petersburg, 198504 (Russian Federation)

2007-12-15

Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO{sub 3}, SrZrO{sub 3}, and SrHfO{sub 3} perovskites are performed in a single-slab model framework. The optimized atomic structures and water adsorption energies have been calculated for a single water molecule per the surface unit cell. The possibility of the water molecular dissociation was investigated. Basing on the experimental data and results of the ab initio calculations the new interatomic potentials have been developed to describe the bulk and surface properties of the binary and ternary titanium and zirconium oxides. The proposed force-field takes into account the polarization effects via the shell model. The force-field suggested was used in the molecular mechanics calculations with the extended unit cells to study the possible surface reconstruction upon relaxation and hydroxylation of cubic perovskites.

The water adsorption on the surfaces of SrMO3 (M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling

International Nuclear Information System (INIS)

Evarestov, R A; Bandura, A V; Blokhin, E N

2007-01-01

Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO 3 , SrZrO 3 , and SrHfO 3 perovskites are performed in a single-slab model framework. The optimized atomic structures and water adsorption energies have been calculated for a single water molecule per the surface unit cell. The possibility of the water molecular dissociation was investigated. Basing on the experimental data and results of the ab initio calculations the new interatomic potentials have been developed to describe the bulk and surface properties of the binary and ternary titanium and zirconium oxides. The proposed force-field takes into account the polarization effects via the shell model. The force-field suggested was used in the molecular mechanics calculations with the extended unit cells to study the possible surface reconstruction upon relaxation and hydroxylation of cubic perovskites

A Comparison of Low Performing Students' Achievements in Factoring Cubic Polynomials Using Three Different Strategies

Science.gov (United States)

Ogbonnaya, Ugorji I.; Mogari, David L.; Machisi, Eric

2013-01-01

In this study, repeated measures design was employed to compare low performing students' achievements in factoring cubic polynomials using three strategies. Twenty-five low-performing Grade 12 students from a secondary school in Limpopo province took part in the study. Data was collected using achievement test and was analysed using repeated…

Stress-Induced Cubic-to-Hexagonal Phase Transformation in Perovskite Nanothin Films.

Science.gov (United States)

Cao, Shi-Gu; Li, Yunsong; Wu, Hong-Hui; Wang, Jie; Huang, Baoling; Zhang, Tong-Yi

2017-08-09

The strong coupling between crystal structure and mechanical deformation can stabilize low-symmetry phases from high-symmetry phases or induce novel phase transformation in oxide thin films. Stress-induced structural phase transformation in oxide thin films has drawn more and more attention due to its significant influence on the functionalities of the materials. Here, we discovered experimentally a novel stress-induced cubic-to-hexagonal phase transformation in the perovskite nanothin films of barium titanate (BaTiO 3 ) with a special thermomechanical treatment (TMT), where BaTiO 3 nanothin films under various stresses are annealed at temperature of 575 °C. Both high-resolution transmission electron microscopy and Raman spectroscopy show a higher density of hexagonal phase in the perovskite thin film under higher tensile stress. Both X-ray photoelectron spectroscopy and electron energy loss spectroscopy does not detect any change in the valence state of Ti atoms, thereby excluding the mechanism of oxygen vacancy induced cubic-to-hexagonal (c-to-h) phase transformation. First-principles calculations show that the c-to-h phase transformation can be completed by lattice shear at elevated temperature, which is consistent with the experimental observation. The applied bending plus the residual tensile stress produces shear stress in the nanothin film. The thermal energy at the elevated temperature assists the shear stress to overcome the energy barriers during the c-to-h phase transformation. The stress-induced phase transformation in perovskite nanothin films with TMT provides materials scientists and engineers a novel approach to tailor nano/microstructures and properties of ferroelectric materials.

Criticality of the bond-diluted Ising ferromagnet in a semi-infinite simple cubic lattice

International Nuclear Information System (INIS)

Silva, L.R. da; Tsallis, C.; Sarmento, E.F.

1987-01-01

We study the phase diagram and universality classes of the quenched bond-diluted spin 1/2 Ising ferromagnetic in a semi-infinite simple cubic lattice with a (0,0,1) free surface. We observe that surface ferromagnetism persists below the d=2 percolation threshold p c 2D = 1/2, in fact down to pc∼0,42. (M.W.O.) [pt

Explosive attractor solutions to a universal cubic delay equation

Science.gov (United States)

Sanz-Orozco, D.; Berk, H. L.

2017-05-01

New explosive attractor solutions have been found in a universal cubic delay equation that has been studied in both the plasma and the fluid mechanics literature. Through computational simulations and analytic approximations, it is found that the oscillatory component of the explosive mode amplitude solutions are described through multi-frequency Fourier expansions with respect to a pseudo-time variable. The spectral dependence of these solutions as a function of a system parameter, ϕ , is studied. The mode amplitude that is described in the explosive regime has two main features: a well-known envelope ( t 0 - t ) - 5 / 2 , with t0 the blow-up time of the amplitude, and a spectrum of discrete oscillations with ever-increasing frequencies, which may give experimental information about the properties of a system's equilibrium.

Shock-Assisted Superficial Hexagonal-to-Cubic Phase Transition in GaN/Sapphire Interface Induced by Using Ultra-violet Laser Lift-Of Techniques

International Nuclear Information System (INIS)

Wei-Hua, Chen; Xiao-Dong, Hu; Xiang-Ning, Kang; Xu-Rong, Zhou; Xiao-Min, Zhang; Tong-Jun, Yu; Zhi-Jian, Yang; Ke, Xu; Guo-Yi, Zhang; Xu-Dong, Shan; Li-Ping, You

2009-01-01

Ultra-violet (KrF excimer laser, λ = 248 nm) laser lift-of (LLO) techniques have been operated to the GaN/sapphire structure to separate GaN from the sapphire substrate. Hexagonal to cubic phase transformation induced by the ultra-violet laser lift-of (UV-LLO) has been characterized by micro-Raman spectroscopy, micro-photoluminescence, along with high-resolution transmission electron microscopy (HRTEM). HRTEM indicates that UV-LLO induced phase transition takes place above the LLO interface, without phase transition under the LLO interface. The formed cubic GaN often exists as nanocrystal grains attaching on the bulk hexagonal GaN. The half-loop-cluster-like UV-LLO interface indicates that the LLO-induced shock waves has generated and played an assistant role in the decomposition of the hexagonal GaN and in the formation of cubic GaN grains at the LLO surface

Theoretical characterization and design of small molecule donor material containing naphthodithiophene central unit for efficient organic solar cells.

Science.gov (United States)

Duan, Yu-Ai; Geng, Yun; Li, Hai-Bin; Jin, Jun-Ling; Wu, Yong; Su, Zhong-Min

2013-07-15

To seek for high-performance small molecule donor materials used in heterojunction solar cell, six acceptor-donor-acceptor small molecules based on naphtho[2,3-b:6,7-b']dithiophene (NDT) units with different acceptor units were designed and characterized using density functional theory and time-dependent density functional theory. Their geometries, electronic structures, photophysical, and charge transport properties have been scrutinized comparing with the reported donor material NDT(TDPP)2 (TDPP  =  thiophene-capped diketopyrrolopyrrole). The open circuit voltage (V(oc)), energetic driving force(ΔE(L-L)), and exciton binding energy (E(b)) were also provided to give an elementary understanding on their cell performance. The results reveal that the frontier molecular orbitals of 3-7 match well with the acceptor material PC61 BM, and compounds 3-5 were found to exhibit the comparable performances to 1 and show promising potential in organic solar cells. In particular, comparing with 1, system 7 with naphthobisthiadiazole acceptor unit displays broader absorption spectrum, higher V(oc), lower E(b), and similar carrier mobility. An in-depth insight into the nature of the involved excited states based on transition density matrix and charge density difference indicates that all S1 states are mainly intramolecular charge transfer states with the charge transfer from central NDT unit to bilateral acceptor units, and also imply that the exciton of 7 can be dissociated easily due to its large extent of the charge transfer. In a word, 7 maybe superior to 1 and may act as a promising donor candidate for organic solar cell. Copyright © 2013 Wiley Periodicals, Inc.

Self-Similar Solutions of Variable-Coefficient Cubic-Quintic Nonlinear Schroedinger Equation with an External Potential

International Nuclear Information System (INIS)

Wu Hongyu; Fei Jinxi; Zheng Chunlong

2010-01-01

An improved homogeneous balance principle and an F-expansion technique are used to construct exact self-similar solutions to the cubic-quintic nonlinear Schroedinger equation. Such solutions exist under certain conditions, and impose constraints on the functions describing dispersion, nonlinearity, and the external potential. Some simple self-similar waves are presented. (general)