Néel-Type Skyrmion Lattice in the Tetragonal Polar Magnet VOSe_{2}O_{5}.
Kurumaji, Takashi; Nakajima, Taro; Ukleev, Victor; Feoktystov, Artem; Arima, Taka-Hisa; Kakurai, Kazuhisa; Tokura, Yoshinori
2017-12-08
The formation of the triangular Skyrmion lattice is found in a tetragonal polar magnet VOSe_{2}O_{5}. By magnetization and small-angle neutron scattering measurements on the single crystals, we identify a cycloidal spin state at zero field and a Néel-type Skyrmion-lattice phase under a magnetic field along the polar axis. Adjacent to this phase, another magnetic phase of an incommensurate spin texture is identified at lower temperatures, tentatively assigned to a square Skyrmion-lattice phase. These findings exemplify the versatile features of Néel-type Skyrmions in bulk materials, and provide a further opportunity to explore the physics of topological spin textures in polar magnets.
Tetragonal lattice collapse in SrFe{sub 2}As{sub 2} - a combined experimental and theoretical study
Energy Technology Data Exchange (ETDEWEB)
Schmitt, Miriam; Kasinathan, Deepa; Omerci, Alim; Meier, Katrin; Schwarz, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas; Rosner, Helge [MPI, CPfS, Dresden (Germany); Hanfland, Michael [ESRF, Grenoble (France); Koepernik, Klaus [IFW, Dresden (Germany)
2011-07-01
In a joint experimental and theoretical study we investigate the crystal structure of the Fe pnictide compounds SrFe{sub 2}As{sub 2} under applied hydrostatic pressure. Applying high pressure X-ray diffraction, for a critical pressure of about 10 GPa we observe a sudden collapse of the tetragonal c axis, accompanied by a small expansion of the basal plane. This results in a drastic reduction of the c/a ratio and a significant decrease of the unit cell volume. This tetragonal collapse is well described by DFT band structure calculations and can be assigned to the formation of an additional As-As bond along the tetragonal c axis.
Energy Technology Data Exchange (ETDEWEB)
Lü, Hongfeng [Department of Applied Physics, College of Science, China Agricultural University, Beijing 100083 (China); Wang, Shanying [Department of Physics, Tsinghua University, Beijing 100084 (China); Wang, Xiaosu, E-mail: xiaosuwang@cau.edu.cn [Department of Applied Physics, College of Science, China Agricultural University, Beijing 100083 (China); Department of Physics, Tsinghua University, Beijing 100084 (China)
2014-03-28
The structural, electronic and dynamical properties of the cubic, tetragonal and rhombohedral phases of a lead-free ferroelectrics, (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3} (NBT), have been studied with a density functional formalism. The direct band gap is determined to be 2∼3 eV for three phases, suggesting them to be good optical material. The equilibrium structures were given, and the importance of Bi atom in the low-symmetry ferroelectric phases were investigated with the electron localization functions analysis. The vibration modes at the Γ point were calculated to provide a basis for analyzing the Raman and IR spectra. Soft modes were found in both the cubic and the tetragonal phases, providing a clue in understanding the ferroelectric phase transition in NBT.
Lattice dynamics of strontium tungstate
Indian Academy of Sciences (India)
2015-11-27
Nov 27, 2015 ... We report here measurements of the phonon density of states and the lattice dynamics calculations of strontium tungstate (SrWO4). At ambient conditions this compound crystallizes to a body-centred tetragonal unit cell (space group I41/a) called scheelite structure. We have developed transferable ...
Site-Specific Ligand Interactions Favor the Tetragonal Distortion of PbS Nanocrystal Superlattices.
Novák, Jiřı́; Banerjee, Rupak; Kornowski, Andreas; Jankowski, Maciej; André, Alexander; Weller, Horst; Schreiber, Frank; Scheele, Marcus
2016-08-31
We analyze the structure and morphology of mesocrystalline, body-centered tetragonal (bct) superlattices of PbS nanocrystals functionalized with oleic acid. On the basis of combined scattering and real space imaging, we derive a three-dimensional (3D) model of the superlattice and show that the bct structure benefits from a balanced combination of {100}PbS-{100}PbS and {111}PbS-{111}PbS interactions between neighboring layers of nanocrystals, which uniquely stabilizes this structure. These interactions are enabled by the coaxial alignment of the atomic lattices of PbS with the superlattice. In addition, we find that this preferential orientation is already weakly present within isolated monolayers. By adding excess oleic acid to the nanocrystal solution, tetragonal distortion is suppressed, and we observe assembly into a bilayered hexagonal lattice reminiscent of a honeycomb with grain sizes of several micrometers.
Magnetic antiskyrmions above room temperature in tetragonal Heusler materials
Nayak, Ajaya K.; Kumar, Vivek; Ma, Tianping; Werner, Peter; Pippel, Eckhard; Sahoo, Roshnee; Damay, Franoise; Rößler, Ulrich K.; Felser, Claudia; Parkin, Stuart S. P.
2017-08-01
Magnetic skyrmions are topologically stable, vortex-like objects surrounded by chiral boundaries that separate a region of reversed magnetization from the surrounding magnetized material. They are closely related to nanoscopic chiral magnetic domain walls, which could be used as memory and logic elements for conventional and neuromorphic computing applications that go beyond Moore’s law. Of particular interest is ‘racetrack memory’, which is composed of vertical magnetic nanowires, each accommodating of the order of 100 domain walls, and that shows promise as a solid state, non-volatile memory with exceptional capacity and performance. Its performance is derived from the very high speeds (up to one kilometre per second) at which chiral domain walls can be moved with nanosecond current pulses in synthetic antiferromagnet racetracks. Because skyrmions are essentially composed of a pair of chiral domain walls closed in on themselves, but are, in principle, more stable to perturbations than the component domain walls themselves, they are attractive for use in spintronic applications, notably racetrack memory. Stabilization of skyrmions has generally been achieved in systems with broken inversion symmetry, in which the asymmetric Dzyaloshinskii-Moriya interaction modifies the uniform magnetic state to a swirling state. Depending on the crystal symmetry, two distinct types of skyrmions have been observed experimentally, namely, Bloch and Néel skyrmions. Here we present the experimental manifestation of another type of skyrmion—the magnetic antiskyrmion—in acentric tetragonal Heusler compounds with D2d crystal symmetry. Antiskyrmions are characterized by boundary walls that have alternating Bloch and Néel type as one traces around the boundary. A spiral magnetic ground-state, which propagates in the tetragonal basal plane, is transformed into an antiskyrmion lattice state under magnetic fields applied along the tetragonal axis over a wide range of temperatures
Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T. A. L.; Lippertz, G.; Trekels, M.; Menéndez, E.; Kremer, F.; Wahl, U.; Costa, A. R. G.; Correia, J. G.; Banerjee, D.; Gunnlaugsson, H. P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M. J.; Hadermann, J.; Araújo, J. P.; Temst, K.; Vantomme, A.; Pereira, L. M. C.
2017-11-01
γ -Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of γ -Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mössbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a =3.76 (2 )Å and c =3.50 (2 )Å , and a magnetic moment of 2.45(5) μB per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured γ -Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of γ -Fe taking tetragonal distortion into account.
Joshi, Upendra A; Yoon, Songhak; Baik, Sunggi; Lee, Jae Sung
2006-06-29
Barium titanate nanowires synthesized with a surfactant-free hydrothermal method have been characterized by various techniques such as transmission electron microscopy (TEM), scanning electron microscopy (SEM), synchrotron X-ray diffraction, X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The TEM and SEM analyses show the uniform cylindrical nanowires. The Rietveld refinement with synchrotron X-ray powder diffraction showed that the lattice parameters of cubic and tetragonal phases were a (= b = c) = 4.0134 A and a (= b) = 3.9998 A, c = 4.0303 A, respectively. The final weighted R-factor, R(wp), was 6.75% and the goodness of fit indicator was 1.30. The mass fraction of tetragonal and cubic phases based on the refined scale factor for the two phases were 98.4% and 1.6%, respectively, which clearly show the nanowires are tetragonal. The XPS analysis has shown that as-obtained BaTiO3 nanowires were phase pure. The Raman spectra confirm the tetragonal phase of the BaTiO3 nanowires. The dielectric constant measurement shows the shift in the transition temperature (Tc = 105 degrees C) compared to the bulk transition temperature (Tc = 132 degrees C). The dielectric constant at Tc was 174 measured at 1 kHz frequency.
Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice.
Aoyama, Kazushi; Kawamura, Hikaru
2016-06-24
Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2,1/2,1/2) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed.
Glass ceramic toughened with tetragonal zirconia
Keefer, Keith D.; Michalske, Terry A.
1986-01-01
A phase transformation-toughened glass ceramic and a process for making it are disclosed. A mixture of particulate network-forming oxide, network-modifying oxide, and zirconium oxide is heated to yield a homogeneous melt, and this melt is then heat-treated to precipitate an appreciable quantity of tetragonal zirconia, which is retained at ambient temperature to form a phase transformation-toughened glass ceramic. Nucleating agents and stabilizing agents may be added to the mixture to facilitate processing and improve the ceramic's properties. Preferably, the mixture is first melted at a temperature from 1200.degree. to 1700.degree. C. and is then heat-treated at a temperature within the range of 800.degree. to 1200.degree. C. in order to precipitate tetragonal ZrO.sub.2. The composition, as well as the length and temperature of the heat-treatment, must be carefully controlled to prevent solution of the precipitated tetragonal zirconia and subsequent conversion to the monoclinic phase.
Observation of strain-induced phonon mode splitting in the tetragonal hybrid halide perovskite
Ahn, Hyeyoung; Huang, Hsin; Hsieh, Meng-I.; Li, Ming-Hsien; Chen, Peter
2017-11-01
We report the structural and low-frequency vibrational properties of methylammonium lead-iodide (MAPbI3) perovskites studied by terahertz spectroscopy. The characteristic low-frequency mode splitting is observed in room-temperature tetragonal MAPbI3 films grown on Si, and the frequencies of split modes are found to coincide with those of orthorhombic phases. The strain arising from the symmetry and lattice mismatch against the substrates is responsible for the local distortion of inorganic cages and results in the mode-splitting. The use of a mesoporous TiO2 interlayer effectively reduces the strain at the perovskite-substrate interface and induces larger grain growth and the improvement of structural ordering in the tetragonal MAPbI3 films.
Furukawa, Y.; Roy, B.; Ran, S.; Bud'ko, S. L.; Canfield, P. C.
2014-03-01
The static and the dynamic spin correlations in the low-temperature collapsed tetragonal and the high-temperature tetragonal phase in CaFe2As2 have been investigated by As75 nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. Through the temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts, although stripe-type antiferromagnetic (AFM) spin correlations are realized in the high-temperature tetragonal phase, no trace of the AFM spin correlations can be found in the nonsuperconducting, low-temperature, collapsed tetragonal (cT) phase. Given that there is no magnetic broadening in As75 NMR spectra, together with the T-independent behavior of magnetic susceptibility χ and the T dependence of 1/T1Tχ, we conclude that Fe spin correlations are completely quenched statically and dynamically in the nonsuperconducting cT phase in CaFe2As2.
Stabilization of metastable tetragonal zirconia nanocrystallites by surface modification
DEFF Research Database (Denmark)
Nielsen, Mette Skovgaard; Almdal, Kristoffer; Lelieveld, A. van
2011-01-01
was tested by prolonged boiling in water. The samples were analyzed with X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). Changes in the monoclinic volume fraction in the samples were calculated. A number of surfactants were screened for their ability to stabilize the tetragonal phase upon......-methacryloxypropyl trimethoxy silane were even capable of preventing phase transformation during boiling for 48 h in water.......Metastable tetragonal zirconia nanocrystallites were studied in humid air and in water at room temperature (RT). A stabilizing effect of different surfactants on the tetragonal phase was observed. Furthermore, the phase stability of silanized metastable tetragonal zirconia nanocrystallites...
Making yttria-stabilized tetragonal zirconia translucent
Zhang, Yu
2014-01-01
Objective The aim of this study was to provide a design guideline for developing tetragonal yttria-stabilized zirconia with improved translucency. Methods The translucency, the in-line transmission in particular, of 3 mol.% yttria-stabilized tetragonal zirconia (3Y-TZP) has been examined using the Rayleigh scattering model. The theory predicts that the in-line transmission of 3Y-TZP can be related to its thickness with grain size and birefringence the governing parameters. To achieve a threshold value of translucency, the critical grain size of 3Y-TZP was predicted for various thicknesses (0.3 – 2.0 mm). The threshold value was defined by a measured average in-line transmission value of a suite of dental porcelains with a common thickness of 1 mm. Our theoretical predictions were calibrated with one of the very few experimental data available in the literature. Results For a dense, high-purity zirconia, its in-line transmission increased with decreasing grain size and thickness. To achieve a translucency similar to that of dental porcelains, a nanocyrstalline 3Y-TZP structure was necessitated, due primarily to its large birefringence and high refractive index. Such a grain size dependence became more pronounced as the 3Y-TZP thickness increased. For example, at a thickness of 1.3 mm, the mean grain size of a translucent 3Y-TZP should be 82 nm. At 1.5 mm and 2 mm thicknesses, the mean grain size needed to be 77 nm and 70 nm, respectively. Significance A promising future for zirconia restorations, with combined translucency and mechanical properties, can be realized by reducing its grain size. PMID:25193781
Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO 2 Nanowires
Asayesh-Ardakani, Hasti
2015-10-12
There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WVO nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122¯) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.
Pradines, B; Arras, R.; Calmels, L
2017-01-01
We present an ab initio study of the influence of the tetragonal distortion, on the static and dynamic (Gilbert damping parameter) magnetic properties of a Co2MnSi crystal. This tetragonal distortion can for instance be due to strain, when Co2MnSi is grown on a substrate with a small lattice mismatch. Using fully relativistic Korringa-Kohn-Rostoker (KKR) calculations, in conjunction with the coherent potential approximation (CPA) to describe atomic disorder and the linear response formalism t...
Birkhoff, Garrett
1940-01-01
Since its original publication in 1940, this book has been revised and modernized several times, most notably in 1948 (second edition) and in 1967 (third edition). The material is organized into four main parts: general notions and concepts of lattice theory (Chapters I-V), universal algebra (Chapters VI-VII), applications of lattice theory to various areas of mathematics (Chapters VIII-XII), and mathematical structures that can be developed using lattices (Chapters XIII-XVII). At the end of the book there is a list of 166 unsolved problems in lattice theory, many of which still remain open. I
Electro-optical properties of tetragonal KNbO3
Indian Academy of Sciences (India)
. On a structural point of view, the NLO properties of KNbO3 were theoretically investigated [4]. Another study [5], based on a microscopic model, investigated the role of polarizability in the EO properties of tetragonal phase. Those calculations.
Modeling Tetragonal Lysozyme Crystal Growth Rates
Gorti, Sridhar; Forsythe, Elizabeth L.; Pusey, Marc L.
2003-01-01
Tetragonal lysozyme 110 face crystal growth rates, measured over 5 orders of magnitude in range, can be described using a model where growth occurs by 2D nucleation on the crystal surface for solution supersaturations of c/c(sub eq) less than or equal to 7 +/- 2. Based upon the model, the step energy per unit length, beta was estimated to be approx. 5.3 +/- 0.4 x 10(exp -7) erg/mol-cm, which for a step height of 56 A corresponds to barrier of approx. 7 +/- 1 k(sub B)T at 300 K. For supersaturations of c/c(sub eq) > 8, the model emphasizing crystal growth by 2D nucleation not only could not predict, but also consistently overestimated, the highest observable crystal growth rates. Kinetic roughening is hypothesized to occur at a cross-over supersaturation of c/c(sub eq) > 8, where crystal growth is postulated to occur by a different process such as adsorption. Under this assumption, all growth rate data indicated that a kinetic roughening transition and subsequent crystal growth by adsorption for all solution conditions, varying in buffer pH, temperature and precipitant concentration, occurs for c/c(sub eq)(T, pH, NaCl) in the range between 5 and 10, with an energy barrier for adsorption estimated to be approx. 20 k(sub B)T at 300 K. Based upon these and other estimates, we determined the size of the critical surface nucleate, at the crossover supersaturation and higher concentrations, to range from 4 to 10 molecules.
Vailionis, A.; Boschker, H.; Houwman, E.; Koster, G.; Rijnders, G.; Blank, D. H.
2010-03-01
Transition-metal oxides exhibit variety of magnetic, electronic and structural properties due to the presence of strong electron-electron and electron-lattice correlations. For epitaxial ABO3 films substrate-induced biaxial stress is an effective tool to modify the electron-lattice coupling. We present a microstructural study of the lattice effects in SrRuO3 and La0.67Sr0.33MnO3 thin films grown under different tensile and compressive stresses. Due to the symmetry constraints, the ``pseudocubic'' perovskite unit cell does not reveal the diversity of distortions and tilts of BO6 octahedra which play a significant role in magnetic and electronic properties of the ABO3 perovskites. We show that the lattice distortions in perovskite thin films under misfit stress can be quantitatively described by assuming a lower symmetry unit cell: tetragonal, orthorhombic or monoclinic. The results demonstrate that the misfit strain modifies the degree and direction of BO6 octahedra distortions and rotations via structural transitions between tetragonal and orthorhombic unit cells as well as lattice modulations. The coherently strained films exhibit stress relief mechanism that is highly anisotropic along perpendicular in-plane directions. Such anisotropic stress accommodation is believed to affect anisotropic magnetic or electronic properties.
High-pressure synthesis of fully occupied tetragonal and cubic tungsten bronze oxides
Energy Technology Data Exchange (ETDEWEB)
Ikeuchi, Yuya; Takatsu, Hiroshi; Tassel, Cedric; Goto, Yoshihiro; Murakami, Taito; Kageyama, Hiroshi [Graduate School of Engineering, Kyoto University (Japan)
2017-05-15
A high-pressure reaction yielded the fully occupied tetragonal tungsten bronze K{sub 3}W{sub 5}O{sub 15} (K{sub 0.6}WO{sub 3}). The terminal phase shows an unusual transport property featuring slightly negative temperature-dependence in resistivity (dρ/dT<0) and a large Wilson ratio of R{sub W}=3.2. Such anomalous metallic behavior possibly arises from the low-dimensional electronic structure with a van Hove singularity at the Fermi level and/or from enhanced magnetic fluctuations by geometrical frustration of the tungsten sublattice. The asymmetric nature of the tetragonal tungsten bronze K{sub x}WO{sub 3}-K{sub 0.6-y}Ba{sub y}WO{sub 3} phase diagram implies that superconductivity for x≤0.45 originates from the lattice instability because of potassium deficiency. A cubic perovskite KWO{sub 3} phase was also identified as a line phase - in marked contrast to Na{sub x}WO{sub 3} and Li{sub x}WO{sub 3} with varying quantities of x (<1). This study presents a versatile method by which the solubility limit of tungsten bronze oxides can be extended. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)
X-ray diffraction study of shock-modified tetragonal phases of SnO[sub 2] and MnO[sub 2
Energy Technology Data Exchange (ETDEWEB)
Newcomer, P.; Morosin, B.; Graham, R.A.
1992-01-01
X-ray diffraction line-profile analysis on tetragonal forms of Sn02 (cassiterite), Mn02 (pyrolusite), and previously studied Ti02 (rutile), which were subjected to high pressure shock loading, show that residual lattice strain and coherent crystal'' size are a function of shock parameters. An interesting observation on sample of Mn02 concerns the recovery of cubic Mn203 (bixbyite) in the material subjected to 22 GPa, indicating a shock-induced chemical synthesis.
X-ray diffraction study of shock-modified tetragonal phases of SnO{sub 2} and MnO{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Newcomer, P.; Morosin, B.; Graham, R.A.
1992-11-01
X-ray diffraction line-profile analysis on tetragonal forms of Sn02 (cassiterite), Mn02 (pyrolusite), and previously studied Ti02 (rutile), which were subjected to high pressure shock loading, show that residual lattice strain and coherent ``crystal`` size are a function of shock parameters. An interesting observation on sample of Mn02 concerns the recovery of cubic Mn203 (bixbyite) in the material subjected to 22 GPa, indicating a shock-induced chemical synthesis.
Pressure induced phase transitions in ceramic compounds containing tetragonal zirconia
Energy Technology Data Exchange (ETDEWEB)
Sparks, R.G.; Pfeiffer, G.; Paesler, M.A.
1988-12-01
Stabilized tetragonal zirconia compounds exhibit a transformation toughening process in which stress applied to the material induces a crystallographic phase transition. The phase transition is accompanied by a volume expansion in the stressed region thereby dissipating stress and increasing the fracture strength of the material. The hydrostatic component of the stress required to induce the phase transition can be investigated by the use of a high pressure technique in combination with Micro-Raman spectroscopy. The intensity of Raman lines characteristic for the crystallographic phases can be used to calculate the amount of material that has undergone the transition as a function of pressure. It was found that pressures on the order of 2-5 kBar were sufficient to produce an almost complete transition from the original tetragonal to the less dense monoclinic phase; while a further increase in pressure caused a gradual reversal of the transition back to the original tetragonal structure.
Tetragonal and cubic zirconia multilayered ceramic constructs created by EPD.
Mochales, Carolina; Frank, Stefan; Zehbe, Rolf; Traykova, Tania; Fleckenstein, Christine; Maerten, Anke; Fleck, Claudia; Mueller, Wolf-Dieter
2013-02-14
The interest in electrophoretic deposition (EPD) for nanomaterials and ceramics production has widely increased due to the versatility of this technique to effectively combine different materials in unique shapes and structures. We successfully established an EPD layering process with submicrometer sized powders of Y-TZP with different mol percentages of yttrium oxide (3 and 8%) and produced multilayers of alternating tetragonal and cubic phases with a clearly defined interface. The rationale behind the design of these multilayer constructs was to optimize the properties of the final ceramic by combining the high mechanical toughness of the tetragonal phase of zirconia together with the high ionic conductivity of its cubic phase. In this work, a preliminary study of the mechanical properties of these constructs proved the good mechanical integrity of the multilayered constructs obtained as well as crack deflection in the interface between tetragonal and cubic zirconia layers.
Antiferromagnetic structure in tetragonal CuMnAs thin films
Wadley, P.; Hills, V.; Shahedkhah, M. R.; Edmonds, K. W.; Campion, R. P.; Novák, V.; Ouladdiaf, B.; Khalyavin, D.; Langridge, S.; Saidl, V.; Nemec, P.; Rushforth, A. W.; Gallagher, B. L.; Dhesi, S. S.; Maccherozzi, F.; Železný, J.; Jungwirth, T.
2015-11-01
Tetragonal CuMnAs is an antiferromagnetic material with favourable properties for applications in spintronics. Using a combination of neutron diffraction and x-ray magnetic linear dichroism, we determine the spin axis and magnetic structure in tetragonal CuMnAs, and reveal the presence of an interfacial uniaxial magnetic anisotropy. From the temperature-dependence of the neutron diffraction intensities, the Néel temperature is shown to be (480 ± 5) K. Ab initio calculations indicate a weak anisotropy in the (ab) plane for bulk crystals, with a large anisotropy energy barrier between in-plane and perpendicular-to-plane directions.
Goto, Akira; Hori, Yoshiki; Ozaki, Masa-aki
2003-05-01
We give a group theoretical classification of the triplet vortex lattice states of the two-dimensional Hubbard model with a nearest neighbor ferromagnetic exchange interaction in a uniform magnetic field. We obtain 11 types of tetragonal vortex lattice states for the magnetic flux φ=φ0/p2 (φ0=ch/2e is the flux quantum, p is an integer) through a unit cell of crystal lattice. We show the configurations of the order parameters corresponding to axial phase, up spin phase, planar phase and bipolar phase. It is clarified what types of vortex lattice phase are possible in triplet superconductors such as Sr2RuO4 with basal square lattice when the symmetry of magnetic translation is considered.
Sol-gel preparation and photoluminescence properties of tetragonal ZrO2:Y3+, Eu3+ nanophosphors
Liao, Jinsheng; Zhou, Dan; Yang, Bin; Liu, Ruiqing; Zhang, Qian
2012-12-01
By controlling Eu3+ doping concentration, ZrO2:Y3+, Eu3+ (YSZ:Eu) nanophosphors with tetragonal structure have been prepared by sol-gel method. The properties of the resulting phosphors are characterized by X-ray diffraction (XRD), transmission electron microscope (TEM), photoluminescence (PL) spectra and decay curve. The excitation spectra of YSZ:Eu phosphors are mainly attributed to O2- → Eu3+ charge-transfer (CT) band at about 254 nm and some sharp lines of Eu3+ f-f transitions in near-UV region with one strong peak at 395 nm. The emission spectra were used to probe the local environments of Eu3+ ion in ZrO2 crystal. Based on the high-resolution emission and excitation spectra at 10 K, it is identified that the lattice site of Eu3+ in tetragonal ZrO2 nanocrystals descending from D4h to approximate C2V as a result of the lattice distortion. Under the 395 nm excitation, intense red emission peaked at 607 nm corresponding to 5D0 → 7F2 transition of Eu3+ is observed for 6 at.% YSZ:Eu phosphors as the optimal doping concentration. The luminescence properties suggest that YSZ:Eu phosphor may be regarded as a potential red phosphor candidate for near-UV light emitting diodes (LEDs).
Electro-optical properties of tetragonal KNbO3
Indian Academy of Sciences (India)
Home; Journals; Pramana – Journal of Physics; Volume 68; Issue 6 ... Linear electro-optical tensor coefficients and optical susceptibility of tetragonal KNbO3 are calculated using a formalism based on bond charge theory. ... Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India ...
Physical properties of the tetragonal CuMnAs: A first-principles study
Máca, F.; Kudrnovský, J.; Drchal, V.; Carva, K.; Baláž, P.; Turek, I.
2017-09-01
Electronic, magnetic, and transport properties of the antiferromagnetic (AFM) CuMnAs alloy with tetragonal structure, promising for the AFM spintronics, are studied from first principles using the Vienna ab initio simulation package. We investigate the site occupation of sublattices and the lattice parameters of three competing phases. We analyze the factors that determine which of the three conceivable structures will prevail. We then estimate formation energies of possible defects for the experimentally prepared lattice structure. MnCu and CuMn antisites as well as Mn ↔Cu swaps and vacancies on Mn or Cu sublattices were identified as possible candidates for defects in CuMnAs. We find that the interactions of the growing thin film with the substrate and with vacuum as well as the electron correlations are important for the phase stability while the effect of defects is weak. In the next step, using the tight-binding linear muffin-tin orbital method for the experimental structure, we estimate transport properties for systems containing defects with low formation energies. Finally, we determine the exchange interactions and estimate the Néel temperature of the AFM-CuMnAs alloy using the Monte Carlo approach. A good agreement of the calculated resistivity and Néel temperature with experimental data makes it possible to draw conclusions concerning the competing phases.
Misfit strain accommodation in epitaxial ABO3 perovskites: Lattice rotations and lattice modulations
Vailionis, A.; Boschker, H.; Siemons, W.; Houwman, E. P.; Blank, D. H. A.; Rijnders, G.; Koster, G.
2011-02-01
We present a study of the lattice response to the compressive and tensile biaxial stress in La0.67Sr0.33MnO3 (LSMO) and SrRuO3 (SRO) thin films grown on a variety of single-crystal substrates: SrTiO3, DyScO3, NdGaO3, and (La,Sr)(Al,Ta)O3. The results show that, in thin films under misfit strain, both SRO and LSMO lattices, which in bulk form have orthorhombic (SRO) and rhombohedral (LSMO) structures, assume unit cells that are monoclinic under compressive stress and tetragonal under tensile stress. The applied stress effectively modifies the BO6 octahedra rotations, whose degree and direction can be controlled by the magnitude and sign of the misfit strain. Such lattice distortions change the B-O-B bond angles and therefore are expected to affect magnetic and electronic properties of the ABO3 perovskites.
Energy Technology Data Exchange (ETDEWEB)
Schaefer, Stefan [DESY (Germany). Neumann Inst. for Computing
2016-11-01
These configurations are currently in use in many on-going projects carried out by researchers throughout Europe. In particular this data will serve as an essential input into the computation of the coupling constant of QCD, where some of the simulations are still on-going. But also projects computing the masses of hadrons and investigating their structure are underway as well as activities in the physics of heavy quarks. As this initial project of gauge field generation has been successful, it is worthwhile to extend the currently available ensembles with further points in parameter space. These will allow to further study and control systematic effects like the ones introduced by the finite volume, the non-physical quark masses and the finite lattice spacing. In particular certain compromises have still been made in the region where pion masses and lattice spacing are both small. This is because physical pion masses require larger lattices to keep the effects of the finite volume under control. At light pion masses, a precise control of the continuum extrapolation is therefore difficult, but certainly a main goal of future simulations. To reach this goal, algorithmic developments as well as faster hardware will be needed.
Topological crystalline antiferromagnetic state in tetragonal FeS
Hao, Ningning; Zheng, Fawei; Zhang, Ping; Shen, Shun-Qing
2017-10-01
Integration between magnetism and topology is an exotic phenomenon in condensed-matter physics. Here, we propose an exotic phase named topological crystalline antiferromagnetic state, in which antiferromagnetism intrinsically integrates with nontrivial topology, and we suggest such a state can be realized in tetragonal FeS. A combination of first-principles calculations and symmetry analyses shows that the topological crystalline antiferromagnetic state arises from band reconstruction induced by pair checkerboard antiferromagnetic order together with band-gap opening induced by intrinsic spin-orbit coupling in tetragonal FeS. The topological crystalline antiferromagnetic state is protected by the product of fractional translation symmetry, mirror symmetry, and time-reversal symmetry, and presents some unique features. In contrast to strong topological insulators, the topological robustness is surface dependent. These findings indicate that nontrivial topological states could emerge in pure antiferromagnetic materials, which sheds new light on potential applications of topological properties in fast-developing antiferromagnetic spintronics.
Chemically ordered face-centred tetragonal Fe–Pt nanoparticles ...
Indian Academy of Sciences (India)
2012-02-21
Feb 21, 2012 ... Abstract. Chemically ordered face-centred tetragonal (fct) Fe–Pt alloy nanoparticles (NPs) embedded SiO2 films were synthesized on glass substrate by in situ hybrid sol–gel approach followed by heating at 450–900 ◦C in air and reducing (10% H2–90% Ar) atmospheres. Heat treatment of Fe/Pt co-doped ...
Effect of additives on densification and deformation of tetragonal zirconia
Boutz, M.M.R.; Boutz, M.M.R.; Winnubst, Aloysius J.A.; Hartgers, F.; Burggraaf, A.J.; Burggraaf, Anthonie
1994-01-01
The effect of additives (Bi2O3, Fe2O3) on densification and creep rates of tetragonal ZrO2-Y2O3 has been investigated. In Bi2O3-doped Y-TZP, a reactive liquid forms at temperatures above 800–900DaggerC, which leads to a strong enhancement of densification for concentrations of 1–2 mol % Bi2O3.
Modeling the Mechanical Response of Tetragonal Lysozyme Crystals
Zamiri, Amir; De, Suvranu
2010-01-01
In this paper we investigate the mechanical response of tetragonal lysozyme crystals based on existing experimental data and a continuum-based crystal plasticity model. Compression analyses along different crystallographic directions reveal that the mechanical response of lysozyme crystals is highly anisotropic and orientation dependent. While the response is purely elastic along the [110] direction, it is elasto-plastic along the [100] and [2̄ 12] directions. The yield stress and critical re...
Congruence amalgamation of lattices
Grätzer, G; Wehrung, F; Gr\\"{a}tzer, George; Lakser, Harry; Wehrung, Friedrich
2000-01-01
J. Tuma proved an interesting "congruence amalgamation" result. We are generalizing and providing an alternate proof for it. We then provide applications of this result: --A.P. Huhn proved that every distributive algebraic lattice $D$ with at most $\\aleph\\_1$ compact elements can be represented as the congruence lattice of a lattice $L$. We show that $L$ can be constructed as a locally finite relatively complemented lattice with zero. --We find a large class of lattices, the $\\omega$-congruence-finite lattices, that contains all locally finite countable lattices, in which every lattice has a relatively complemented congruence-preserving extension.
Growth and structural characterization of orthorhombic and tetragonal SrCuO{sub 2} thin films
Energy Technology Data Exchange (ETDEWEB)
Mihailescu, C.N., E-mail: christian@ucy.ac.cy [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus); National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor St., PO Box MG-36, 077125 Magurele (Romania); Pasuk, I. [National Institute of Materials Physics, 105 Bis Atomistilor St., PO Box MG-7, 077125 Magurele (Romania); Athanasopoulos, G.I. [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus); Luculescu, C. [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor St., PO Box MG-36, 077125 Magurele (Romania); Socol, M. [National Institute of Materials Physics, 105 Bis Atomistilor St., PO Box MG-7, 077125 Magurele (Romania); Saint-Martin, R.; Revcolevschi, A. [LPCES – ICMMO – Bât 410, Université Paris-Sud XI, 15 Georges Clémenceau St., 91405 Orsay Cedex (France); Giapintzakis, J., E-mail: giapintz@ucy.ac.cy [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus)
2013-08-01
Epitaxial SrCuO{sub 2} thin films were grown on (0 0 1) SrTiO{sub 3} substrates by pulsed laser deposition using a stoichiometric target. X-ray diffraction indicated that the SrCuO{sub 2} films undergo a structural phase transition as a function of the substrate temperature. Films deposited at temperatures below 600 °C exhibit a tetragonal phase with the c-axis oriented along the growth direction while films deposited at temperatures above 700 °C exhibit an orthorhombic phase with the b-axis oriented along the growth direction. Atomic force microscopy indicated that the as-grown film surfaces are rather smooth and the roughness increases with increasing substrate temperature. Energy dispersive X-ray spectroscopy in agreement with X-ray diffraction intensity ratio data revealed that all films are non-stoichiometric and contain Sr vacancies (Sr/Cu ∼ 0.8). The influence of film-substrate lattice matching and substrate temperature on the structural phase transition is discussed.
Growth and structural characterization of orthorhombic and tetragonal SrCuO2 thin films
Mihailescu, C. N.; Pasuk, I.; Athanasopoulos, G. I.; Luculescu, C.; Socol, M.; Saint-Martin, R.; Revcolevschi, A.; Giapintzakis, J.
2013-08-01
Epitaxial SrCuO2 thin films were grown on (0 0 1) SrTiO3 substrates by pulsed laser deposition using a stoichiometric target. X-ray diffraction indicated that the SrCuO2 films undergo a structural phase transition as a function of the substrate temperature. Films deposited at temperatures below 600 °C exhibit a tetragonal phase with the c-axis oriented along the growth direction while films deposited at temperatures above 700 °C exhibit an orthorhombic phase with the b-axis oriented along the growth direction. Atomic force microscopy indicated that the as-grown film surfaces are rather smooth and the roughness increases with increasing substrate temperature. Energy dispersive X-ray spectroscopy in agreement with X-ray diffraction intensity ratio data revealed that all films are non-stoichiometric and contain Sr vacancies (Sr/Cu ˜ 0.8). The influence of film-substrate lattice matching and substrate temperature on the structural phase transition is discussed.
BabaeiPour, M.; Safari, E. Keshavarz; Shokri, A. A.
2017-02-01
A systematic study has been done on the structural and electronic properties of carbon, boron nitride and aluminum nitride nanotubes with structure consisting of periodically distributed tetragonal (T ≡A2X2), hexagonal (H ≡A3X3) and dodecagonal (D ≡A6X6) (AX=C2, BN, AlN) cycles. The method has been performed using first-principles calculations based on density functional theory (DFT). The optimized lattice parameters, density of state (DOS) curves and band structure of THD-NTs are obtained for (3, 0) and (0, 2) types. Our calculation results indicate that carbon nanotubes of these types (THD-CNTs) behave as a metallic, but the boron nitride nanotubes (THD-BNNTs) (with a band gap of around 4 eV) as well as aluminum nitride nanotubes (THD-AlNNTs) (with a band gap of around 2.6 eV) behave as an semiconductor. The inequality in number of atoms in different directions is affected on structures and diameters of nanotubes and their walls curvature.
Tetragonal-Like Phase in Core–Shell Iron Iron-Oxide Nanoclusters
Energy Technology Data Exchange (ETDEWEB)
Kaur, Maninder; McCloy, John S.; Kukkadapu, Ravi; Pearce, Carolyn; Tucek, Jiri; Bowden, Mark; Engelhard, Mark; Arenholz, Elke; Qiang, You
2017-05-11
Two sizes of iron/iron-oxide (Fe/Fe-oxide) nanoclusters (NCs) of 10 nm and 35 nm diameters were prepared using a cluster deposition technique. Both these NCs displayed XRD peaks due to body-centered cubic (bcc) Fe0 and magnetite-like phase. Mossbauer spectroscopy (MS) measurements: a) confirmed the core-shell nature of the NCs, b) the Fe-oxide shell to be nanocrystalline and partially oxidized, and c) the Fe-oxide spins are significantly canted. In addition to the bcc Fe and magnetite-like phases, a phase similar to tetragonal σ-Fe-Cr (8% Cr) was CLEARLY evident in the larger NC, based on X-ray diffraction. Origin of the tetragonallike phase in the larger NC was not clear but could be due to significant distortion of the Fe0 core lattice planes; subtle peaks due to this phase were also apparent in the smaller NC. Unambiguous evidence for the presence of such a phase, however, was not clear from MS, X-ray photoelectron spectroscopy, vibrating sample magnetometry, X-ray magnetic circular dichroism, nor transmission electron microscopy. To our knowledge, this is the first report of tetragonallike phase in the Fe/Fe-oxide core-shell systems.
Calzirtite after tetragonal ZrO{sub 2} studied by transmission electron microscope
Energy Technology Data Exchange (ETDEWEB)
Lin, Jing-Shi; Shen, Pouyan [National Sun Yat-sen Univ., Kaohsiung (Taiwan, Province of China)
1996-11-01
Reactive sintering of CaO, ZrO{sub 2}, and TiO{sub 2}(2:5:2 in molar ratio) powders at 1320{degrees}C for 2 weeks caused the topotaxial formation of calzirite (Ca{sub 2}Zr{sub 5}Ti{sub 2}O{sub 16}, a 3 x 3 x 2 fluorite superstructure denoted as czt) after ZrO{sub 2} nuclei, presumably of tetragonal (t-) symmetry with an orientational relationship [100]{sub t}//[100]{sub czt}; [001]{sub t}//[001]{sub czt}. To maintain a t-ZrO{sub 2} precursor for the subsequent calzirtite formation, it was essential to have Ti{sup 4+} dissolved faster than Ca{sup 2+} in the ZrO{sub 2} lattice. The calzirtite grains thus formed have no twin variants but have ordered domains and a new supercell which can be indexed as an 6 x 3 x 4 array of the fluorite subcell, due to ordering of two closely spaced M(1) positions (0.93Ti + 0.07Zr, determined by Rossell). The 6 x 3 x 4 supercell appeared as disk-like variants in the calzirite matrix.
RF Electromagnetic Field Treatment of Tetragonal Kesterite CZTSSe Light Absorbers
Semenenko, Mykola O.; Babichuk, Ivan S.; Kyriienko, Oleksandr; Bodnar, Ivan V.; Caballero, Raquel; Leon, Maximo
2017-06-01
In this work, we propose a method to improve electro-optical and structural parameters of light-absorbing kesterite materials. It relies on the application of weak power hydrogen plasma discharges using electromagnetic field of radio frequency range, which improves homogeneity of the samples. The method allows to reduce strain of light absorbers and is suitable for designing solar cells based on multilayered thin film structures. Structural characteristics of tetragonal kesterite Cu2ZnSn(S, Se)4 structures and their optical properties were studied by Raman, infrared, and reflectance spectroscopies. They revealed a reduction of the sample reflectivity after RF treatment and a modification of the energy band structure.
Inhibition of surface bound carbonate stabilization of tetragonal zirconia
DEFF Research Database (Denmark)
Nielsen, Mette Skovgaard; Almdal, Kristoffer; Lelieveld, A. van
2011-01-01
Water is known to initiate a tetragonal to monoclinic phase transformation in zirconia particles. Carbonates on the zirconia surface react with water molecules and hence reduce the transformation rate. This study investigates the possibility of inhibition of the reaction between surface carbonates...... and water in order to increase the transformation rate in the zirconia crystals. It was found possible to limit the reaction by reacting the surface carbonates with alcohols, a thiol and a primary amide prior to reaction with water. It was also concluded that di- and trialcohols are able to stabilize...
Light activated phase transformation of metastable tetragonal nanocrystalline zirconia
DEFF Research Database (Denmark)
Nielsen, Mette Skovgaard; Almdal, Kristoffer; van Lelieveld, A
2012-01-01
that water, HCl, HF, and NH3, all initiate phase transformation of tetragonal zirconia at room temperature, whereas NBu4Cl and NBu4OH do not. 2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine) was the most efficient (monoclinic volume fraction reached 0.57) out of the four tested PAGs....... For dispersion in a dimethacrylate matrix together with zirconia crystals, a monoclinic volume fraction of 0.19 was observed after 2 min of exposure to light, increasing to 0.6 after 30 min....
Magnetic Properties of Tetragonally Distorted Fe3Pt and the Hybrid Structure Fe3Pt/Fe
Sakuma, Akimasa
1995-11-01
To investigate the magnetic performance of a hybrid structure oftransition metals, we consider the Fe3Pt/Fe system and examine theeffects both of the tetragonal distortion of L12 type Fe3Pt andthe hybridization with bcc-Fe on the magnetic properties, usingLMTO-ASA method in the framework of LSD. The magnetic moment ofFe3Pthas a maximum stationary value of 8.85 µ B/ cell atc/a=1/\\sqrt{2}. The hypothetical struc-ture of Fe20Pt4 is supposed by combining Fe3Pt of c/a=1/\\sqrt{2} and bcc-Fe lattice. It is predicted that the magnetizationreaches 2.27 T with the magnetic anisotropy constant of 11×105 J/ m3. With using the coherent rotation model formagnetization reversal process, we get maximum energy product(BH) max=10.2 MJ/ m3.
Lattices for the lattice Boltzmann method.
Chikatamarla, Shyam S; Karlin, Iliya V
2009-04-01
A recently introduced theory of higher-order lattice Boltzmann models [Chikatamarla and Karlin, Phys. Rev. Lett. 97, 190601 (2006)] is elaborated in detail. A general theory of the construction of lattice Boltzmann models as an approximation to the Boltzmann equation is presented. New lattices are found in all three dimensions and are classified according to their accuracy (degree of approximation of the Boltzmann equation). The numerical stability of these lattices is argued based on the entropy principle. The efficiency and accuracy of many new lattices are demonstrated via simulations in all three dimensions.
Energy Technology Data Exchange (ETDEWEB)
Capel, F.; Moure, C.; Duran, P. [Consejo Nacional de Investigaciones Cientificas, Madrid (Spain). Ist. de Ceramica y Vidrio
2002-07-01
By using X-ray diffraction lattice parameter measurements and Raman spectroscopy studies, the solid solubility limits of titania in ceria tetragonal zirconia solid solutions (Ce-TZP, 12 mol % CeO{sub 2}) have been established. Electrical properties of the mixed conductor TiO{sub 2}-CeTZP containing 5 and 10 mol % TiO{sub 2} were measured at the 300 C to 900 C temperature range in air and in reduced oxygen partial pressures. (orig.)
Supatutkul, C.; Pramchu, S.; Jaroenjittichai, A. P.; Laosiritaworn, Y.
2017-09-01
This work reports the structures and electronic properties of two-dimensional (2D) ZnO in hexagonal, (4,8)-tetragonal, and (4,4)-tetragonal monolayer using GGA and HSE-hybrid functional. The calculated results show that the band gaps of 2D ZnO sheets are wider than those of the bulk ZnO. The hexagonal and (4,8)-tetragonal phases yield direct band gaps, which are 4.20 eV, and 4.59 eV respectively, while the (4,4)-tetragonal structure has an indirect band gap of 3.02 eV. The shrunken Zn-O bond lengths in the hexagonal and (4,8)-tetragonal indicate that they become more ionic in comparison with the bulk ZnO. In addition, the hexagonal ZnO sheet is the most energetically favourable. The total energy differences of (4,8)-tetragonal and (4,4)-tetragonal sheets from that of hexagonal monolayer (per formula unit) are 197 meV and 318 meV respectively.
van Roekeghem, Ambroise; Richard, Pierre; Shi, Xun; Wu, Shangfei; Zeng, Lingkun; Saparov, Bayrammurad; Ohtsubo, Yoshiyuki; Qian, Tian; Sefat, Athena S.; Biermann, Silke; Ding, Hong
2016-06-01
We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.
Energy Technology Data Exchange (ETDEWEB)
Deluque Toro, C.E., E-mail: deluquetoro@gmail.com [Grupo de Nuevos Materiales, Universidad Popular del Cesar, Valledupar (Colombia); Rodríguez M, Jairo Arbey [Grupo de Estudios de Materiales—GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Landínez Téllez, D.A. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Moreno Salazar, N.O. [Departamento de Física, Universidade Federal de Sergipe (Brazil); Roa-Rojas, J. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)
2014-12-15
The Ba{sub 2}YTaO{sub 6} double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba{sub 2}YTaO{sub 6} in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba{sub 2}YTaO{sub 6} (I4/m) phase is the most stable one. {sup ©} 2013 Elsevier Science. All rights reserved.
Arins, A. W.; Jurca, H. F.; Zarpellon, J.; Varalda, J.; Graff, I. L.; de Oliveira, A. J. A.; Schreiner, W. H.; Mosca, D. H.
2013-03-01
We report on high quality MnGa epilayers directly grown on GaAs(111)-(1 × 1) reconstructed surface. MnGa layers are characterized by the stacking of (111) planes of tetragonal zinc-blende structure, which are rotated by 11° with respect to the underlying (111) planes of the GaAs lattice. These ultra-thin MnGa epilayers with lattice parameters a = 0.55 nm and c = 0.61 nm are stabilized for thickness between 5 and 20 nm with a net magnetic moment of 3.2 μB per Mn atom. These epilayers are potentially suited for semiconductor spintronics applications due to the reversal of its magnetization in relatively low magnetic fields.
Far infrared and Raman response in tetragonal PZT ceramic films
Energy Technology Data Exchange (ETDEWEB)
Buixaderas, E.; Kadlec, C.; Vanek, P.; Drnovsek, S.; Ursic, H.; Malic, B.
2015-07-01
PbZr{sub 0}.38Ti{sub 0}.62O{sub 3} and PbZr{sub 0}.36Ti{sub 0}.64{sub O}3 thick films deposited by screen printing on (0 0 0 1) single crystal sapphire substrates and prepared at two different sintering temperatures, were studied by Fourier-transform infrared reflectivity, time-domain TH{sub z} transmission spectroscopy and micro-Raman spectroscopy. The dielectric response is discussed using the Lichtenecker model to account for the porosity of the films and to obtain the dense bulk dielectric functions. Results are compared with bulk tetragonal PZT 42/58 ceramics. The dynamic response in the films is dominated by an overdamped lead-based vibration in the TH{sub z} range, as known in PZT, but its evaluated dielectric contribution is affected by the porosity and roughness of the surface. (Author)
Modeling the Mechanical Response of Tetragonal Lysozyme Crystals
Zamiri, Amir; De, Suvranu
2011-01-01
In this paper we investigate the mechanical response of tetragonal lysozyme crystals based on existing experimental data and a continuum-based crystal plasticity model. Compression analyses along different crystallographic directions reveal that the mechanical response of lysozyme crystals is highly anisotropic and orientation dependent. While the response is purely elastic along the [110] direction, it is elasto-plastic along the [100] and [2̄ 12] directions. The yield stress and critical resolved shear stress are observed to be sensitive to temperature and the amount of intracrystalline water. An increase in temperature and the amount of intracrystalline water molecules leads to a decrease in the critical resolved shear stress of the slip systems and makes the crystal softer. The analysis presented in this paper may be applied to the study of other protein crystal systems as well as their optimal design for biotechnological applications. PMID:20039601
Lattice parameters guide superconductivity in iron-arsenides
Konzen, Lance M. N.; Sefat, Athena S.
2017-03-01
The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported in relation to the materials basis in magnetism and spin excitations. In fact, most HTS have antiferromagnetic undoped ‘parent’ materials that undergo a superconducting transition upon small chemical substitutions in them. As it is currently unclear which ‘dopants’ can favor superconductivity, this manuscript investigates crystal structure changes upon chemical substitutions, to find clues in lattice parameters for the superconducting occurrence. We review the chemical substitution effects on the crystal lattice of iron-arsenide-based crystals (2008 to present). We note that (a) HTS compounds have nearly tetragonal structures with a-lattice parameter close to 4 Å, and (b) superconductivity can depend strongly on the c-lattice parameter changes with chemical substitution. For example, a decrease in c-lattice parameter is required to induce ‘in-plane’ superconductivity. The review of lattice parameter trends in iron-arsenides presented here should guide synthesis of new materials and provoke theoretical input, giving clues for HTS.
Bachoc, Christine
2005-01-01
We study the Grassmannian 4-designs contained in lattices, in connection with the local property of the Rankin constant. We prove that the sequence of Barnes-Wall lattices contain Grassmannian 6-designs.
New integrable lattice hierarchies
Energy Technology Data Exchange (ETDEWEB)
Pickering, Andrew [Area de Matematica Aplicada, ESCET, Universidad Rey Juan Carlos, c/ Tulipan s/n, 28933 Mostoles, Madrid (Spain); Zhu Zuonong [Departamento de Matematicas, Universidad de Salamanca, Plaza de la Merced 1, 37008 Salamanca (Spain) and Department of Mathematics, Shanghai Jiao Tong University, Shanghai 200030 (China)]. E-mail: znzhu2@yahoo.com.cn
2006-01-23
In this Letter we give a new integrable four-field lattice hierarchy, associated to a new discrete spectral problem. We obtain our hierarchy as the compatibility condition of this spectral problem and an associated equation, constructed herein, for the time-evolution of eigenfunctions. We consider reductions of our hierarchy, which also of course admit discrete zero curvature representations, in detail. We find that our hierarchy includes many well-known integrable hierarchies as special cases, including the Toda lattice hierarchy, the modified Toda lattice hierarchy, the relativistic Toda lattice hierarchy, and the Volterra lattice hierarchy. We also obtain here a new integrable two-field lattice hierarchy, to which we give the name of Suris lattice hierarchy, since the first equation of this hierarchy has previously been given by Suris. The Hamiltonian structure of the Suris lattice hierarchy is obtained by means of a trace identity formula.
Atkinson, D; van Steenwijk, F.J.
The resistance between two arbitrary nodes in an infinite square lattice of:identical resistors is calculated, The method is generalized to infinite triangular and hexagonal lattices in two dimensions, and also to infinite cubic and hypercubic lattices in three and more dimensions. (C) 1999 American
Kang, Sungmin; Lee, Eun-Woo; Li, Tianqi; Liang, Xiaobin; Tokita, Masatoshi; Nakajima, Ken; Watanabe, Junji
2016-09-12
We synthesized a novel banana-shaped molecule based on a 1,7-naphthalene central core that exhibits a distinct mesomorphism of the nematic-to-nematic phase transition. Both the X-ray profile and direct imaging of atomic force microscopy (AFM) investigations clearly indicates the formation of an anomalous nematic phase possessing a two-dimensional (2D) tetragonal lattice with a large edge (ca. 59 Å) directed perpendicular to the director in the low-temperature nematic phase. One plausible model is proposed by an analogy of skyrmion lattice in which two types of cylinders formed from left- and right-handed twist-bend helices stack into a 2D tetragonal lattice, diminishing the inversion domain wall. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Pramanick, Abhijit; Jones, Jacob L
2009-08-01
In situ structural characterization techniques that are capable of characterizing piezoelectric ceramics under different electrical loading conditions are important to understand the behavior of materials during their use. In this work, we report the use of a laboratory X-ray diffractometer for the measurement of various structural changes in tetragonal La-doped lead zirconate titanate (PZT) ceramics under the application of static and cyclic electric fields. The changes in the volume fractions of the 90 degrees domains parallel to the electric field direction are calculated from the intensities of the {002} diffraction peaks. In addition, the components of lattice strains are monitored from the changes in the (111) crystallographic planes. It is observed that, under the application of static electric fields, both 90 degrees domain switching and the 111 lattice strains showed similarity with the macroscopic strain-electric field hystersis loop. To measure the structural changes under cyclic electric fields, a time-resolved X-ray diffraction technique was used. Under application of a square-wave electric field of amplitude +/-650 V/mm and frequency 0.3 Hz, a change of approximately 5% in the volume fraction of the 90 degrees domains and approximately 0.07% strain of the 111 lattice planes are observed. Both the amount of 90 degrees domain switching and the 111 lattice strains are observed to increase with an increase in the amplitude of the cyclic electric field. The implications of the measured structural changes for the macroscopic piezoelectric properties of ceramics are discussed.
Proton ordering in tetragonal and monoclinic H2O ice
Yen, Fei; Berlie, Adam; Liu, Xiaodi; Goncharov, Alexander F
2015-01-01
H2O ice remains one of the most enigmatic materials as its phase diagram reveals up to sixteen solid phases. While the crystal structure of these phases has been determined, the phase boundaries and mechanisms of formation of the proton-ordered phases remain unclear. From high precision measurements of the complex dielectric constant, we probe directly the degree of ordering of the protons in H2O tetragonal ice III and monoclinic ice V down to 80 K. A broadened first-order phase transition is found to occur near 202 K we attribute to a quenched disorder of the protons which causes a continuous disordering of the protons during cooling and metastable behavior. At 126 K the protons in ice III become fully ordered, and for the case of ice V becoming fully ordered at 113 K forming ice XIII. Two triple points are proposed to exist: one at 0.35 GPa and 126 K where ices III, IX and V coexist; and another at 0.35 GPa and 113 K where ices V, IX and XIII coexist. Our findings unravel the underlying mechanism driving th...
Thermal stability of simple tetragonal and hexagonal diamond germanium
Huston, L. Q.; Johnson, B. C.; Haberl, B.; Wong, S.; Williams, J. S.; Bradby, J. E.
2017-11-01
Exotic phases of germanium, that form under high pressure but persist under ambient conditions, are of technological interest due to their unique optical and electrical properties. The thermal evolution and stability of two of these exotic Ge phases, the simple tetragonal (st12) and hexagonal diamond (hd) phases, are investigated in detail. These metastable phases, formed by high pressure decompression in either a diamond anvil cell or by nanoindentation, are annealed at temperatures ranging from 280 to 320 °C for st12-Ge and 200 to 550 °C for hd-Ge. In both cases, the exotic phases originated from entirely pure Ge precursor materials. Raman microspectroscopy is used to monitor the phase changes ex situ following annealing. Our results show that hd-Ge synthesized via a pure form of a-Ge first undergoes a subtle change in structure and then an irreversible phase transformation to dc-Ge with an activation energy of (4.3 ± 0.2) eV at higher temperatures. St12-Ge was found to transform to dc-Ge with an activation energy of (1.44 ± 0.08) eV. Taken together with results from previous studies, this study allows for intriguing comparisons with silicon and suggests promising technological applications.
[Effects of colorants on yttria stabilized tetragonal zirconia polycrystals powder].
Wang, Bo; Chen, Jianfeng; Zhang, Yanchun; Wang, Ru
2015-10-01
To evaluate the effect of Fe2O3 and CeO2 as colorants on yttria stabilized tetragonal zirconia poly-crystals (Y-TZP) powder. The spray granulation slurry of colored zirconia was prepared with different concentrations of Fe2O3 (0.15%) and CeO2 (4%), which were added in Y-TZP. Zirconia powder was made by spray granulation. The powder specimens were divided into three groups: uncolored zirconia, Fe2O3 (0.15%) zirconia, and CeO2 (4%) zirconia. The particle morphologies of the powder specimens were measured with a laser particle size analyzer and an optical microscope. The differences in D50 among the three groups were statistically significant (Pzirconia (Pzirconia showed no significant difference from group CeO2 (P>0.05). Mostly spherical powder was observed in the three groups. Fe2O3 as a colorant can affect particles, whereas CeO2 has no effect.
Condensation of tetragonal zirconia polycrystals by reactive sputtering
Energy Technology Data Exchange (ETDEWEB)
Chen, I-M. [Institute of Materials Science and Engineering, National Sun Yat-sen University, Kaohsiung, Taiwan (China); Yeh, S.-W. [Institute of Materials Science and Engineering, National Sun Yat-sen University, Kaohsiung, Taiwan (China); Chiou, S.-Y. [Department of Mold and Die Engineering, National Kaohsiung University of Applied Science, Kaohsiung, Taiwan (China); Gan Dershin [Institute of Materials Science and Engineering, National Sun Yat-sen University, Kaohsiung, Taiwan (China)]. E-mail: dgan@mail.nsysu.edu.tw; Shen Pouyan [Institute of Materials Science and Engineering, National Sun Yat-sen University, Kaohsiung, Taiwan (China)
2005-11-22
Reactive sputtering on metallic Zr target under various oxygen flow rates was employed to produce nanocrystalline zirconia condensates, which were collected on a carbon-coated collodion film for analytical electron microscopic observations. With an Ar flow rate of 28 sccm, the collected condensates are cubic and tetragonal (t-) zirconia less than 10 nm in size under 0-2 sccm oxygen flow rate and increased to 10-20 nm in size with partial t- to monoclinic (m-) zirconia transformation at 3 sccm. Between 4 and 4.5 sccm, t-zirconia polycrystals (TZP) about 20 nm in grain size were formed by coalescence of the t-zirconia condensates. Above 6 sccm, the (111) and {l_brace}100{r_brace} specific coalescence as well as random attachment prevailed to form larger (> 30 nm) individual condensates of m-zirconia as the critical size of martensitic t-m transformation is exceeded. The TZP formation can be accounted for by the small grain size, the presence of low-valence Zr cation and the lateral constraint of neighboring grains.
Supermodular Programming on Lattices
Directory of Open Access Journals (Sweden)
Vladimir R. Khachaturov
2003-04-01
Full Text Available Questions, concerning the optimization of supermodular functions on finite lattices are considered in the paper. The systematic summary of main authors' and other researchers' results known before, new authors' results are given. There should be marked out the following three results among new results. The first - elaboration of the basic propositions of the theory of maximization of supermodular functions on Boolean lattices (they were worked out only for the problems of minimization before and establishing of relation between global minimum and maximum of supermodular function for main types of lattices. The second - elaboration of original combinatorial algorithms of automatized representation of hyper-cubes (booleans of large dimension on a plane in the form of various diagrams, on which the properties of boolean as a partially ordered set of its vertexes are kept (This provides us with ample opportunities for construction of various schemes of looking through the elements of atomic lattices and for visualization of the optimization process. The third - carrying out the basic propositions of the theory of optimization of supermodular functions to the main types of lattices: Boolean lattices, lattices with relative supplements (division lattices, lattices of vector subspaces of finite-dimensional vector space, geometrical spaces, lattices equal to Cartesian product of chains, distributive lattices, atomic lattices. These theoretical results and availability of the great amount of optimization problems for lattices with concrete forms of supermodular functions allow to consider methods and algorithms for solving the problems of optimization of supermodular functions on lattices as a new field of mathematical programming - supermodular programming [19].
Gorban, Oksana; Synyakina, Susanna; Volkova, Galina; Gorban, Sergey; Konstantiova, Tetyana; Lyubchik, Svetlana
2015-12-01
The effect of the surface modification of the nanoparticles of amorphous and crystalline partially stabilized zirconia by fluoride ions on stability of the metastable tetragonal phase was investigated. Based on the DSC, titrimetry and FTIR spectroscopy data it was proven that surface modification of the xerogel resulted from an exchange of the fluoride ions with the basic OH groups. The effect of the powder pre-calcination temperature before modification on the formation of metastable tetragonal phase in partially stabilized zirconia was investigated. It was shown that the main factor of tetragonal zirconia stabilization is the state of nanoparticles surface at pre-crystallization temperatures.
Energy Technology Data Exchange (ETDEWEB)
Gorban, Oksana, E-mail: matscidep@aim.com [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Synyakina, Susanna; Volkova, Galina; Gorban, Sergey; Konstantiova, Tetyana [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Lyubchik, Svetlana, E-mail: s_lyubchik@yahoo.com [REQUIMTE, Universida de Nova de Lisboa, 2829-516 Caparica (Portugal)
2015-12-15
The effect of the surface modification of the nanoparticles of amorphous and crystalline partially stabilized zirconia by fluoride ions on stability of the metastable tetragonal phase was investigated. Based on the DSC, titrimetry and FTIR spectroscopy data it was proven that surface modification of the xerogel resulted from an exchange of the fluoride ions with the basic OH groups. The effect of the powder pre-calcination temperature before modification on the formation of metastable tetragonal phase in partially stabilized zirconia was investigated. It was shown that the main factor of tetragonal zirconia stabilization is the state of nanoparticles surface at pre-crystallization temperatures.
Estimation of the initial equilibrium constants in the formation of tetragonal lysozyme nuclei
Pusey, Marc L.
1991-01-01
Results are presented from a study of the equilibria, kinetic rates, and the aggregation pathway which leads from a lysozyme monomer crystal to a tetragonal crystal, using dialyzed and recrystallized commercial hen eggwhite lysozyme. Relative light scattering intensity measurements were used to estimate the initial equilibrium constants for undersaturated lysozyme solutions in the tetragonal regime. The K1 value was estimated to be (1-3) x 10 exp 4 L/mol. Estimates of subsequent equilibrium constants depend on the crystal aggregation model chosen or determined. Experimental data suggest that tetragonal lysozyme crystal grows by addition of aggregates preformed in the bulk solution, rather than by monomer addition.
Energy Technology Data Exchange (ETDEWEB)
Fabregas, Ismael O. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Craievich, Aldo F.; Fantini, Marcia C.A. [Instituto de Fisica, Universidade de Sao Paulo, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Millen, Ricardo P.; Temperini, Marcia L.A. [Instituto de Quimica, Universidade de Sao Paulo, Avenida Prof. Lineu Prestes 748, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Lamas, Diego G., E-mail: dlamas@uncoma.edu.ar [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Laboratorio de Caracterizacion de Materiales, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, (8300) Neuquen Capital, Prov. de Neuquen (Argentina)
2011-04-21
Research highlights: > Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders, that exhibit the presence at room temperature of three different phases depending on Y{sub 2}O{sub 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{sub 2}-Y{sub 2}O{sub 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{sub 2}O{sub 3}, respectively. > For the whole series of nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 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{sub 2}-Y{sub 2}O{sub 3} solid solutions, the presence at room temperature of three different phases depending on Y{sub 2}O{sub 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{sub 2}-Y{sub 2}O{sub 3} solid
Mihailescu, C. N.; Pasuk, I.; Straticiuc, M.; Nita, C. R.; Pantelica, D.; Giapintzakis, J.
2014-11-01
In this work we have systematically investigated the evolution of structure and stoichiometry in SrCuO2 films grown on TiO2-terminated SrTiO3 substrates as a function of the substrate temperature. Depending on the growth temperature SrCuO2/SrTiO3 films can exhibit either a pure tetragonal high-pressure phase, or a pure orthorhombic low-pressure phase, or a mixed phase. Our results indicate that at low substrate temperatures the non-equilibrium state of the growth process is responsible for the stabilization of the metastable tetragonal high-pressure structure in SrCuO2 thin films grown on (0 0 1) SrTiO3 substrates, whose lattice matches the metastable structure. In addition, at higher substrate temperatures thermodynamics become dominant over other factors and the SrCuO2 thin films are stabilized in the thermodynamically stable orthorhombic phase.
Modeling the Growth Rates of Tetragonal Lysozyme Crystal Faces
Li, Meirong; Nadarajah, Arunan; Pusey, Marc L.
1998-01-01
The measured macroscopic growth rates of the (110) and (101) faces of tetragonal lysozyme show an unexpectedly complex dependence on the supersaturation. The growth rates decay asymptotically to zero when the supersaturation is lowered to zero and increase rapidly when the supersaturation is increased. When supersaturations are increased still further the growth rates attain a maximum before starting to decrease. However, growth of these crystals is known to proceed by the classical dislocation and 2D nucleation growth mechanisms. This anomaly can be explained if growth is assumed to occur not by monomer units but by lysozyme aggregates. Analysis of the molecular packing of these crystals revealed that they were constructed of strongly bonded 4(sub 3) helices, while weaker bonds were responsible for binding the helices to each other. It follows that during crystal growth the stronger bonds are formed before the weaker ones. Thus, the growth of these crystals could be viewed as a two step process: aggregate growth units corresponding to the 4(sub 3) helix are first formed in the bulk solution by stronger intermolecular bonds and then attached to the crystal face by weaker bonds on dislocation hillocks or 2D islands. This will lead to a distribution of aggregates in the solution with monomers and lower order aggregates being predominant at low supersaturations and higher order aggregates being predominant at high supersaturations. If the crystal grows mostly by higher order aggregates, such as tetramers and octamers, it would explain the anomalous dependence of the growth rates on the supersaturation. Besides the analysis of molecular packing, a comprehensive analysis of the measured (110) and (101) growth rates was also undertaken in this study. The distribution of aggregates in lysozyme nutrient solutions at various solution conditions were determined from reversible aggregation reactions at equilibrium. The supersaturation was defined for each aggregate species
Energy Technology Data Exchange (ETDEWEB)
Mihailescu, C.N. [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus); National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor St., PO Box MG-36, 077125 Magurele (Romania); Pasuk, I. [National Institute of Materials Physics, RO-077125 Magurele (Romania); Straticiuc, M.; Nita, C.R.; Pantelica, D. [Horia Hulubei National Institute for Physics and Nuclear Engineering (IFIN-HH), 30 Reactorului Street, P.O. Box MG-6, RO-077125 Magurele (Romania); Giapintzakis, J., E-mail: giapintz@ucy.ac.cy [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus)
2014-11-30
Highlights: • By tuning the substrate temperature one can obtain SrCuO{sub 2} films that exhibit both stable (orthorhombic) and metastable (tetragonal) phases in pure form as well as films composed of a mixture of tetragonal and orthorhombic phases. • SrCuO{sub 2} films exhibit a stoichiometry variation across the temperature range of the structural transformation. • The non-equilibrium nature of the growth process is the origin of the stabilization of the tetragonal (hp I) phase in SrCuO{sub 2} thin films grown on SrTiO{sub 3} substrates at low substrate temperatures. - Abstract: In this work we have systematically investigated the evolution of structure and stoichiometry in SrCuO{sub 2} films grown on TiO{sub 2}-terminated SrTiO{sub 3} substrates as a function of the substrate temperature. Depending on the growth temperature SrCuO{sub 2}/SrTiO{sub 3} films can exhibit either a pure tetragonal high-pressure phase, or a pure orthorhombic low-pressure phase, or a mixed phase. Our results indicate that at low substrate temperatures the non-equilibrium state of the growth process is responsible for the stabilization of the metastable tetragonal high-pressure structure in SrCuO{sub 2} thin films grown on ( 0 0 1) SrTiO{sub 3} substrates, whose lattice matches the metastable structure. In addition, at higher substrate temperatures thermodynamics become dominant over other factors and the SrCuO{sub 2} thin films are stabilized in the thermodynamically stable orthorhombic phase.
Energy Technology Data Exchange (ETDEWEB)
Shindler, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC
2007-07-15
I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)
Covariant lattice glueball fields
Mandula, Jeffrey E.; Zweig, George; Govaerts, Jan
1983-11-01
Fields for the creation and annihilation of gluons and glueballs, which transform irreducibly under the four-dimensional lattice rotation reflection and charge conjugation symmetry groups, are defined and discussed. The fields reduce in the zero lattice spacing limit to conventional continuum operators of definite spin, parity, and charge comjugation.
Covariant lattice glueball fields
Energy Technology Data Exchange (ETDEWEB)
Mandula, J.E.; Zweig, G.; Govaerts, J.
1983-11-15
Fields for the creation and annihilation of gluons and glueballs, which transform irreducibly under the four-dimensional lattice rotation reflection and charge conjugation symmetry groups, are defined and discussed. The fields reduce in the zero lattice spacing limit to conventional continuum operators of definite spin, parity, and charge conjugation.
DEFF Research Database (Denmark)
Risager, Morten S.; Södergren, Carl Anders
2017-01-01
It is well known that the angles in a lattice acting on hyperbolic n -space become equidistributed. In this paper we determine a formula for the pair correlation density for angles in such hyperbolic lattices. Using this formula we determine, among other things, the asymptotic behavior of the den...
Dissipative photonic lattice solitons.
Ultanir, Erdem A; Stegeman, George I; Christodoulides, Demetrios N
2004-04-15
We show that discrete dissipative optical lattice solitons are possible in waveguide array configurations that involve periodically patterned semiconductor optical amplifiers and saturable absorbers. The characteristics of these low-power soliton states are investigated, and their propagation constant eigenvalues are mapped on Floquet-Bloch band diagrams. The prospect of observing such low-power dissipative lattice solitons is discussed in detail.
Active Optical Lattice Filters
Directory of Open Access Journals (Sweden)
Gary Evans
2005-06-01
Full Text Available Optical lattice filter structures including gains are introduced and analyzed. The photonic realization of the active, adaptive lattice filter is described. The algorithms which map between gains space and filter coefficients space are presented and studied. The sensitivities of filter parameters with respect to gains are derived and calculated. An example which is relevant to adaptive signal processing is also provided.
Flükiger, R.; Uglietti, D.; Abächerli, V.; Seeber, B.
2005-12-01
The effect of uniaxial strain on the critical current of 0.8 m long Nb3Sn wires up to 21 T is studied by the modified Walters spring (WASP). For Nb3Sn wires, prepared by both the bronze route and the internal Sn diffusion process, the critical current density as a function of the uniaxial strain ɛ is found to exhibit an asymmetric behaviour on both sides of the strain ɛm, where Jc reaches its maximum. Revisiting earlier x-ray and neutron diffraction measurements on bronze route processed wires between 10 and 600 K, it is shown that the asymmetric behaviour of Jc(ɛ) on both sides of the strain value ɛm is connected to individual variations of the stress-induced tetragonal lattice parameters a and c. The present measurements of Jc versus strain for Nb3Sn wires show stronger strain dependence for wires prepared by the internal Sn diffusion method with respect to those obtained by the bronze route. The reasons for this difference are attributed to the individual details of the filament configuration in both types of wire, for example the different Sn distributions inside the filaments and the very different filament sizes, 4 and 80 µm, respectively.
Jiang, Guangming; Zhu, Huiyuan; Zhang, Xu; Shen, Bo; Wu, Liheng; Zhang, Sen; Lu, Gang; Wu, Zhongbiao; Sun, Shouheng
2015-11-24
We report the synthesis of core/shell face-centered tetragonal (fct)-FePd/Pd nanoparticles (NPs) via reductive annealing of core/shell Pd/Fe3O4 NPs followed by temperature-controlled Fe etching in acetic acid. Among three different kinds of core/shell FePd/Pd NPs studied (FePd core at ∼8 nm and Pd shell at 0.27, 0.65, or 0.81 nm), the fct-FePd/Pd-0.65 NPs are the most efficient catalyst for the oxygen reduction reaction (ORR) in 0.1 M HClO4 with Pt-like activity and durability. This enhanced ORR catalysis arises from the desired Pd lattice compression in the 0.65 nm Pd shell induced by the fct-FePd core. Our study offers a general approach to enhance Pd catalysis in acid for ORR.
Hydrothermal synthesis of tetragonal BaTiO3 nanotube arrays with high dielectric performance.
Wang, Liming; Deng, Xiangyun; Li, Jianbao; Liao, Xinxing; Zhang, Guoqing; Wang, Chunpeng; Su, Kuifan
2014-06-01
Tetragonal Barium titanate (BaTiO3) nanotube arrays have been prepared using the template-assisted hydrothermal method combined with an annealing process. The in-situ chemical conversion of TiO2 nanotube array templates ensured that BaTiO3 maintained the morphology of the nanotube architectures. Moreover, X-ray diffraction and Raman spectrum characterization were used to confirm that the BaTiO3 nanotube arrays had a tetragonal phase after the use of a simple annealing technique. Typical hysteresis loops showed their ferroelectricity, with the remanent polarization and coercive fields being 2.57 microC/cm2 and 2.52 kV/cm, respectively. The relative dielectric constant of the tetragonal BaTiO3 nanotube arrays reached up to 1000 and the dielectric loss was as low as 0.02 at 1 kHz at room temperature.
Energy Technology Data Exchange (ETDEWEB)
Coddington, P.; Hey, A.; Mandula, J.; Ogilvie, M.
1987-10-22
The fermion propagator in the Landau gauge is calculated for a U(1) lattice gauge theory. In the confined, strong coupling phase, the propagator resembles that of a massive particle. In the weak coupling phase, the propagator is that of a massless particle. An abrupt change occurs at the transition point. The results are compared to simulations of the gluon propagator in SU(3) lattice gauge theory.
Coddington, P.; Hey, A.; Mandula, J.; Ogilvie, M.
1987-10-01
The photon propagator in the Landau gauge is calculated for a U(1) lattice gauge theory. In the confined, strong coupling phase, the propagator resembles that of a massive particle. In the weak coupling phase, the propagator is that of a massless particle. An abrupt change occurs at the transition point. The results are compared to simulations of the gluon propagator in SU(3) lattice gauge theory.
Automated Lattice Perturbation Theory
Energy Technology Data Exchange (ETDEWEB)
Monahan, Christopher
2014-11-01
I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.
Solenoidal ionization cooling lattices
Directory of Open Access Journals (Sweden)
R. C. Fernow
2007-06-01
Full Text Available We explore a practical approach for designing ionization cooling channels with periodic solenoidal focusing. We examine the lattice characteristics in terms of the properties of the coils and the cell geometry. The peak magnetic field in the coils is an important engineering constraint in lattice design. We examine the dependence of the peak field, momentum passband locations, and the beta function on the coil parameters. We make a systematic examination of all allowed lattice configurations taking into account the symmetry properties of the current densities and the beta function. We introduce a unique classification for comparing cooling lattice configurations. While solutions with a single coil per cell illustrate most of the effects that are important for cooling channel design, the introduction of additional coils allows more flexibility in selecting the lattice properties. We look at example solutions for the problem of the initial transverse cooling stage of a neutrino factory or muon collider and compare our results with the properties of some published cooling lattice designs. Scaling laws are used to compare solutions from different symmetry classes.
Depth resolved domain mapping in tetragonal SrTiO3 by micro-Laue diffraction
Merz, T. A.; Noad, H.; Xu, R.; Inoue, H.; Liu, W.; Hikita, Y.; Vailionis, A.; Moler, K. A.; Hwang, H. Y.
2016-05-01
We present depth resolved X-ray micro-Laue diffraction experiments on the low temperature domain structure of SrTiO3. At 80 K, monochromatic X-ray diffraction shows an elongated out-of-plane unit cell axis within a matrix of in-plane oriented tetragonal unit cells. Full deviatoric strain mappings from white beam diffraction show a dominance of two tetragonal domain orientations (x- and z-axes) over a large area of sample surface. This information sets an upper bound on domain wall widths and offers a method for studying 3D domain structure at low temperatures.
Morphology of tetragonal ZrO/sub 2/ in a ternary (Mg,Y)-PSZ
Energy Technology Data Exchange (ETDEWEB)
Lee, R.R.; Heuer, A.H.
1987-04-01
The high fracture toughness of optimally-fabricated precipitation-toughened partially-stabilized ZrO/sub 2/'s (PSZ's) is due to the stress-induced martensitic transformation of tetragonal (t) precipitates to monoclinic (m) symmetry in the stress fields of propagating cracks. The precipitation of tetragonal (t) ZrO/sub 2/ in a ternary (Mg,Y)-PSZ has been studied. Nucleation of t-ZrO/sub 2/ occurs homogeneously, as in other PSZ's, and coarsened precipitates are multivariant and have an unusual tetrahedral morphology.
Lattice Instability and Competing Spin Structures in the Double Perovskite Insulator Sr2FeOsO6
Paul, Avijit Kumar; Reehuis, Manfred; Ksenofontov, Vadim; Yan, Binghai; Hoser, Andreas; Többens, Daniel M.; Abdala, Paula M.; Adler, Peter; Jansen, Martin; Felser, Claudia
2013-10-01
The semiconductor Sr2FeOsO6, depending on temperature, adopts two types of spin structures that differ in the spin sequence of ferrimagnetic iron-osmium layers along the tetragonal c axis. Neutron powder diffraction experiments, Fe57 Mössbauer spectra, and density functional theory calculations suggest that this behavior arises because a lattice instability resulting in alternating iron-osmium distances fine-tunes the balance of competing exchange interactions. Thus, Sr2FeOsO6 is an example of a double perovskite, in which the electronic phases are controlled by the interplay of spin, orbital, and lattice degrees of freedom.
DEFF Research Database (Denmark)
Eskildsen, M.R.; Abrahamsen, A.B.; Kogan, V.G.
2001-01-01
We have investigated the temperature dependence of the H parallel to c flux line lattice structural phase transition from square to hexagonal symmetry, in the tetragonal superconductor LuNi2B2C (T-c = 16.6 K). At temperatures below 10 K the transition onset field, H-2(T), is only weakly temperature...... dependent. Above 10 K, H-2(T) rises sharply, bending away from the upper critical field. This contradicts theoretical predictions of H-2(T) merging with the upper critical field and suggests that just below the H-c2(T) curve the flux line lattice might be hexagonal....
Thermodynamic, Electromagnetic, and Lattice Properties of Antiperovskite Mn3SbN
Directory of Open Access Journals (Sweden)
Ying Sun
2013-01-01
Full Text Available The physical properties of polycrystalline Mn3SbN were investigated using measurements of the magnetic, calorimetric, and electronic transport properties. At room temperature, the phase crystallizes in a tetragonal structure with P4/mmm symmetry. A remarkably sharp peak in the heat capacity versus temperature curve was found near 353 K. The peak reaches 723 J mol−1 K−1 at its highest, which corresponds to a transition entropy of 10.2 J mol−1 K−1. The majority of the large entropy change appears to be due to lattice distortion from the high-temperature cubic structure to the room-temperature tetragonal structure and the accompanying Ferrimagnetic transition.
Tetragonal-to-Tetragonal Phase Transition in Lead-Free (KxNa1−xNbO3 (x = 0.11 and 0.17 Crystals
Directory of Open Access Journals (Sweden)
Dabin Lin
2014-06-01
Full Text Available Lead free piezoelectric crystals of (KxNa1−xNbO3 (x = 0.11 and 0.17 have been grown by the modified Bridgman method. The structure and chemical composition of the obtained crystals were determined by X-ray diffraction (XRD and electron probe microanalysis (EPMA. The domain structure evolution with increasing temperature for (KxNa1−xNbO3 (x = 0.11 and 0.17 crystals was observed using polarized light microscopy (PLM, where distinguished changes of the domain structures were found to occur at 400 °C and 412 °C respectively, corresponding to the tetragonal to tetragonal phase transition temperatures. Dielectric measurements performed on (K0.11Na0.89NbO3 crystals exhibited tetragonal to tetragonal and tetragonal to cubic phase transitions temperatures at 405 °C and 496 °C, respectively.
Weisz, Peter; Majumdar, Pushan
2012-03-01
Lattice gauge theory is a formulation of quantum field theory with gauge symmetries on a space-time lattice. This formulation is particularly suitable for describing hadronic phenomena. In this article we review the present status of lattice QCD. We outline some of the computational methods, discuss some phenomenological applications and a variety of non-perturbative topics. The list of references is severely incomplete, the ones we have included are text books or reviews and a few subjectively selected papers. Kronfeld and Quigg (2010) supply a reasonably comprehensive set of QCD references. We apologize for the fact that have not covered many important topics such as QCD at finite density and heavy quark effective theory adequately, and mention some of them only in the last section "In Brief". These topics should be considered in further Scholarpedia articles.
Graphene antidot lattice waveguides
DEFF Research Database (Denmark)
Pedersen, Jesper Goor; Gunst, Tue; Markussen, Troels
2012-01-01
We introduce graphene antidot lattice waveguides: nanostructured graphene where a region of pristine graphene is sandwiched between regions of graphene antidot lattices. The band gaps in the surrounding antidot lattices enable localized states to emerge in the central waveguide region. We model...... the waveguides via a position-dependent mass term in the Dirac approximation of graphene and arrive at analytical results for the dispersion relation and spinor eigenstates of the localized waveguide modes. To include atomistic details we also use a tight-binding model, which is in excellent agreement...... with the analytical results. The waveguides resemble graphene nanoribbons, but without the particular properties of ribbons that emerge due to the details of the edge. We show that electrons can be guided through kinks without additional resistance and that transport through the waveguides is robust against...
Directory of Open Access Journals (Sweden)
Futa Yuichi
2016-03-01
Full Text Available In this article, we formalize the definition of lattice of ℤ-module and its properties in the Mizar system [5].We formally prove that scalar products in lattices are bilinear forms over the field of real numbers ℝ. We also formalize the definitions of positive definite and integral lattices and their properties. Lattice of ℤ-module is necessary for lattice problems, LLL (Lenstra, Lenstra and Lovász base reduction algorithm [14], and cryptographic systems with lattices [15] and coding theory [9].
Energy Technology Data Exchange (ETDEWEB)
Maturana, G.; Vanden Doel, C.P. (California Univ., Santa Cruz (USA). Physics Dept.)
1983-04-07
We study spin 3/2 fields on the lattice. Species doubling is found to be totally curable with an analogue of Wilson's method and partially with an analogue of the Kogut-Susskind formalism. Only the latter preserves local supersymmetry but describes at least four species.
Williamson, S. Gill
2010-01-01
Will the cosmological multiverse, when described mathematically, have easily stated properties that are impossible to prove or disprove using mathematical physics? We explore this question by constructing lattice multiverses which exhibit such behavior even though they are much simpler mathematically than any likely cosmological multiverse.
Weidner, Carrie; Yu, Hoon; Anderson, Dana
2015-05-01
This work introduces a method to perform interferometry using atoms trapped in an optical lattice. Starting at t = 0 with atoms in the ground state of a lattice potential V(x) =V0cos [ 2 kx + ϕ(t) ] , we show that it is possible to transform from one atomic wavefunction to another by a prescribed shaking of the lattice, i.e., by an appropriately tailored time-dependent phase shift ϕ(t) . In particular, the standard interferometer sequence of beam splitting, propagation, reflection, reverse propagation, and recombination can be achieved via a set of phase modulation operations {ϕj(t) } . Each ϕj(t) is determined using a learning algorithm, and the split-step method calculates the wavefunction dynamics. We have numerically demonstrated an interferometer in which the shaken wavefunctions match the target states to better than 1 % . We carried out learning using a genetic algorithm and optimal control techniques. The atoms remain trapped in the lattice throughout the full interferometer sequence. Thus, the approach may be suitable for use in an dynamic environment. In addition to the general principles, we discuss aspects of the experimental implementation. Supported by the Office of Naval Research (ONR) and Northrop Grumman.
Soft-mode driven tetragonal-to-monoclinic phase transition in multiferroic BiFeO{sub 3}
Energy Technology Data Exchange (ETDEWEB)
Liu, Yong; Wang, Kang-Kai; Ni, Li-Hong; Ren, Zhao-Hui; Xu, Gang [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Song, Chen-Lu, E-mail: songcl@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Han, Gao-Rong [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)
2012-10-01
The phase transition of BiFeO{sub 3} (BFO) from tetragonal to monoclinic induced by pressure was investigated by first-principles method. The sequential monoclinic phase, M{sub a}, which is favorable during low compression with respect to the tetragonal phase, was characterized. The order parameters were calculated in the vicinity of the phase transition, showing that phase transition has a second-order character. The results demonstrated that the pressure-induced tetragonal-to-monoclinic phase transition in BFO is related to the softening behavior of the E mode, which are very helpful in further investigations of the morphotropic phase boundary (MPB) in lead-free materials. -- Highlights: ► Tetragonal phase BiFeO{sub 3} with fully relaxed structural parameters is dynamically unstable resulting from the softest E phonon. ► Sequence phase of the soft-mode driven phase transition of tetragonal BiFeO{sub 3} is monoclinic (Bm, No. 8). ► The tetragonal-to-monoclinic phase transition occurs at about 13.3 GPa with a second-order character. ► The tetragonal-to-monoclinic phase transition involves the presence of ferroelectric distortion in the a–b plane of BFO.
Percolation thresholds on elongated lattices
Marrink, S.J.; Knackstedt, Mark A.
1999-01-01
We investigate the percolation thresholds of both random and invasion percolation in two and three dimensions on elongated lattices; lattices with a geometry of L^(d−1) × nL in d dimensions, where n denotes the aspect ratio of the lattice. Scaling laws for the threshold and spanning cluster density
Jiang, Shengli; Huang, Xiao; He, Zhang; Buyers, Andrew
2018-01-01
To examine the effect of doping/co-doping on high-temperature phase compositions of YSZ, stand-alone YSZ and CeO2 and Nb2O5 co-doped YSZ samples were prepared using mechanical alloy and high-temperature sintering. XRD analysis was performed on these samples from room temperature to 1100 °C. The results show that the structure for the co-doped samples tends to be thermally stable when the test temperature is higher than a critical value. Monoclinic phase was dominant in Nb2O5 co-doped YSZ at temperatures lower than 600 °C, while for the YSZ and CeO2 co-doped YSZ, cubic/tetragonal phase was dominant in the whole test temperature range. The lattice parameters for all the samples increase with increasing test temperature generally. The lattice parameters for the two non-trivalent rare earth oxides co-doped YSZ show that the lattice parameter a for the cubic phase of the Ce4+ co-doped YSZ is consistently greater than that of 7YSZ which is related to the presence of larger radius of Ce4+ in the matrix. The lattice parameters a, b, c for the monoclinic phase of Ce4+ co-doped YSZ are much closer to each other than that of the Nb5+ co-doped YSZ, indicating the former has better tendency to form cubic/tetragonal phase, which is desired for vast engineering applications.
Ferromagnetism in tetragonally distorted LaCoO3 thin films
Energy Technology Data Exchange (ETDEWEB)
Mehta, Virat Vasav; Liberati, Marco; Wong, Franklin J.; Chopdekar, Rajesh Vilas; Arenholz, Elke; Suzuki, Yuri
2008-09-17
Thin films of epitaxial LaCoO{sub 3} were synthesized on SrTiO{sub 3} and (La, Sr)(Al, Ta)O{sub 3} substrates varying the oxygen background pressure in order to evaluate the impact of epitaxial growth as well as oxygen vacancies on the long range magnetic order. The epitaxial constraints from the substrate impose a tetragonal distortion compared to the bulk form. X-ray absorption and x-ray magnetic circular dichroism measurements confirmed that the ferromagnetism arises from the Co ions and persists through the entire thickness of the film. It was found that for the thin films to show ferromagnetic order they have to be grown under the higher oxygen pressures, since a decrease in oxygen deposition pressure alters the film structure and suppresses ferromagnetism in the LaCoO{sub 3} films. A correlation of the structure and magnetism suggests that the tetragonal distortions induce the ferromagnetism.
Boghosian, B M; Alexander, F J; Margolus, N H; Boghosian, Bruce M.; Yepez, Jeffrey; Alexander, Francis J.; Margolus, Norman H.
1996-01-01
We generalize the hydrodynamic lattice gas model to include arbitrary numbers of particles moving in each lattice direction. For this generalization we derive the equilibrium distribution function and the hydrodynamic equations, including the equation of state and the prefactor of the inertial term that arises from the breaking of galilean invariance in these models. We show that this prefactor can be set to unity in the generalized model, therby effectively restoring galilean invariance. Moreover, we derive an expression for the kinematic viscosity, and show that it tends to decrease with the maximum number of particles allowed in each direction, so that higher Reynolds numbers may be achieved. Finally, we derive expressions for the statistical noise and the Boltzmann entropy of these models.
Jipsen, Peter
1992-01-01
The study of lattice varieties is a field that has experienced rapid growth in the last 30 years, but many of the interesting and deep results discovered in that period have so far only appeared in research papers. The aim of this monograph is to present the main results about modular and nonmodular varieties, equational bases and the amalgamation property in a uniform way. The first chapter covers preliminaries that make the material accessible to anyone who has had an introductory course in universal algebra. Each subsequent chapter begins with a short historical introduction which sites the original references and then presents the results with complete proofs (in nearly all cases). Numerous diagrams illustrate the beauty of lattice theory and aid in the visualization of many proofs. An extensive index and bibliography also make the monograph a useful reference work.
Lattices of dielectric resonators
Trubin, Alexander
2016-01-01
This book provides the analytical theory of complex systems composed of a large number of high-Q dielectric resonators. Spherical and cylindrical dielectric resonators with inferior and also whispering gallery oscillations allocated in various lattices are considered. A new approach to S-matrix parameter calculations based on perturbation theory of Maxwell equations, developed for a number of high-Q dielectric bodies, is introduced. All physical relationships are obtained in analytical form and are suitable for further computations. Essential attention is given to a new unified formalism of the description of scattering processes. The general scattering task for coupled eigen oscillations of the whole system of dielectric resonators is described. The equations for the expansion coefficients are explained in an applicable way. The temporal Green functions for the dielectric resonator are presented. The scattering process of short pulses in dielectric filter structures, dielectric antennas and lattices of d...
Energy Technology Data Exchange (ETDEWEB)
Gupta, R.
1998-12-31
The goal of the lectures on lattice QCD (LQCD) is to provide an overview of both the technical issues and the progress made so far in obtaining phenomenologically useful numbers. The lectures consist of three parts. The author`s charter is to provide an introduction to LQCD and outline the scope of LQCD calculations. In the second set of lectures, Guido Martinelli will discuss the progress they have made so far in obtaining results, and their impact on Standard Model phenomenology. Finally, Martin Luescher will discuss the topical subjects of chiral symmetry, improved formulation of lattice QCD, and the impact these improvements will have on the quality of results expected from the next generation of simulations.
The effects of temperature and NaCl concentration on tetragonal lysozyme face growth rates
Forsythe, Elizabeth; Pusey, Marc Lee
1994-01-01
Measurements were made of the (110) and (101) face growth rates of the tetragonal form of hen egg white lysozyme at 0.1M sodium acetate buffer, pH 4.0, from 4 to 22 C and with 3.0%, 5.0%, and 7.0% NaCl used as the precipitating salt. The data were collected at supersaturation ratios ranging from approximately 4 to approximately 63. Both decreasing temperature and increasing salt concentrations shifted plots of the growth rate versus C/C(sat) to the right, i.e. higher supersaturations were required for comparable growth rates. The observed trends in the growth data are counter to those expected from the solubility data. If tetragonal lysozyme crystal growth is by addition of ordered aggregates from the solution, then the observed growth data could be explained as a result of the effects of lowered temperature and increased salt concentration on the kinetics and equilibrium processes governing protein-protein interactions in solution. The data indicate that temperature would be a more tractable means of controlling the growth rate for tetragonal lysozyme crystals contrary to the usual practice in, e.g., vapor diffusion protein crystal growth, where both the precipitant and protein concentrations are simultaneously increased. However, the available range for control is dependent upon the protein concentration, with the greatest growth rate control being at the lower concentration.
Mapping the tetragonal to monoclinic phase transformation in zirconia core dental crowns.
Allahkarami, Masoud; Hanan, Jay C
2011-12-01
Chipping failures observed clinically in bilayer systems of porcelain and zirconia restorations should be coupled with a monoclinic to tetragonal phase transformation in the zirconia layer due to the high compressive stress. Phase transformations were mapped using 2D micro X-ray diffraction of 1083 frames at 100μm×100μm spacing automatically positioned along the core layer of a sectioned fractured crown. Yttria-zirconia tetragonal phase transformations to monoclinic zirconia and monoclinic yttria were observed, mostly at the impacted area. A simple map of (101) tetragonal d-spacing strain reveals stress relaxation during phase transformation was detected at inner section of lingual side, because the initial state of compressive residual stress assists this phase transformation at the inter section of lingual side of the core while initial tensile stress at the outer sides under the veneer relaxes under compression and initially prevents phase transformation. This study implements an experimental method to map the phase transformation, after applying local compressive load until fracture. Such fractures resemble clinically observed chipping failure. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
DEFF Research Database (Denmark)
Skovgaard, Mette; Ahniyaz, Anwar; Sørensen, Bent F.
2010-01-01
For the first time, the effect of microscale shear stress induced by both mechanical compression and ball-milling on the phase stability of nanocrystalline tetragonal zirconia (t-ZrO2) powders was studied in water free, inert atmosphere. It was found that nanocrystalline t-ZrO2 powders are extrem......For the first time, the effect of microscale shear stress induced by both mechanical compression and ball-milling on the phase stability of nanocrystalline tetragonal zirconia (t-ZrO2) powders was studied in water free, inert atmosphere. It was found that nanocrystalline t-ZrO2 powders...... are extremely sensitive to both macroscopic uniaxial compressive strain and ball-milling induced shear stress and easily transform martensitically into the monoclinic phase. A linear relationship between applied compressive stress and the degree of tetragonal to monoclinic (t → m) phase transformation...... was observed. Ball-milling induced microscale stress has a similar effect on the t → m phase transformation. Furthermore, it was found that even very mild milling condition, such as 120 rpm, 1 h (0.5 mm balls) was enough to induce phase transformation. Surfactant assisted ball-milling was found to be very...
The effects of temperature and NaCl concentration on tetragonal lysozyme face growth rates
Forsythe, Elizabeth; Lee Pusey, Marc
1994-05-01
Measurements were made of the (110) and (101) face growth rates of the tetragonal form of hen egg white lysozyme at 0.1M sodium acetate buffer, pH 4.0, from 4 to 22°C and with 3.0%, 5.0%, and 7.0% NaCl used as the precipitating salt. The data were collected at supersaturation ratios ranging from ˜4 to ˜63. Both decreasing temperature and increasing salt concentrations shifted plots of the growth rate versus C/ Csat to the right, i.e. higher supersaturations were required for comparable growth rates. The observed trends in the growth data are counter to those expected from the solubility data. If tetragonal lysozyme crystal growth is by addition of ordered aggregates from the solution, then the observed growth data could be explained as a result of the effects of lowered temperature and increased salt concentration on the kinetics and equilibrium processes governing protein-protein interactions in solution. The data indicate that temperature would be a more tractable means of controlling the growth rate for tetragonal lysozyme crystals contrary to the usual practice in, e.g., vapor diffusion protein crystal growth, where both the precipitant and protein concentrations are simultaneously increased. However, the available range for control is dependent upon the protein concentration, with the greatest growth rate control being at the lower concentration.
Miller, Peter David
The modulational behavior of exact oscillatory solutions to a family of non-linear systems of coupled differential equations is studied both numerically and analytically. The family of lattice systems investigated has applications ranging from theoretical biology to numerical methods. The goal is to obtain a description, given by a system of partial differential equations valid on long spatial and temporal scales, of the microscopic vibrations in the lattice. A theory of simple harmonic plane wave modulation is given for the entire family of microscopic systems, and the structure of the corresponding modulation equations is analyzed; particular utility is gained by casting the modulation equations in Riemann invariant form. Although difficulties are encountered in extending this theory to more complicated oscillatory modes in general, the special case of the integrable Ablowitz-Ladik system allows the program of describing more complicated modulated oscillations to be carried out virtually to completion. An infinite hierarchy of multiphase wavetrain solutions to these equations is obtained exactly using methods of algebraic geometry, and the complete set of equations describing the modulational behavior of each kind of multiphase wavetrain is written down using the same machinery. The distinguishing features of modulation theory in the presence of resonance are described, and an unusual set of modulation equations is derived in this case. The results of this dissertation can be interpreted in the context of nonequilibrium thermodynamics of regular oscillations in nonlinear lattices; instabilities in the modulation equations correspond to predictable phase transitions.
Adamatzky, Andrew
2015-01-01
The book gives a comprehensive overview of the state-of-the-art research and engineering in theory and application of Lattice Automata in design and control of autonomous Robots. Automata and robots share the same notional meaning. Automata (originated from the latinization of the Greek word “αυτόματον”) as self-operating autonomous machines invented from ancient years can be easily considered the first steps of robotic-like efforts. Automata are mathematical models of Robots and also they are integral parts of robotic control systems. A Lattice Automaton is a regular array or a collective of finite state machines, or automata. The Automata update their states by the same rules depending on states of their immediate neighbours. In the context of this book, Lattice Automata are used in developing modular reconfigurable robotic systems, path planning and map exploration for robots, as robot controllers, synchronisation of robot collectives, robot vision, parallel robotic actuators. All chapters are...
Hadroquarkonium from lattice QCD
Alberti, Maurizio; Bali, Gunnar S.; Collins, Sara; Knechtli, Francesco; Moir, Graham; Söldner, Wolfgang
2017-04-01
The hadroquarkonium picture [S. Dubynskiy and M. B. Voloshin, Phys. Lett. B 666, 344 (2008), 10.1016/j.physletb.2008.07.086] provides one possible interpretation for the pentaquark candidates with hidden charm, recently reported by the LHCb Collaboration, as well as for some of the charmoniumlike "X , Y , Z " states. In this picture, a heavy quarkonium core resides within a light hadron giving rise to four- or five-quark/antiquark bound states. We test this scenario in the heavy quark limit by investigating the modification of the potential between a static quark-antiquark pair induced by the presence of a hadron. Our lattice QCD simulations are performed on a Coordinated Lattice Simulations (CLS) ensemble with Nf=2 +1 flavors of nonperturbatively improved Wilson quarks at a pion mass of about 223 MeV and a lattice spacing of about a =0.0854 fm . We study the static potential in the presence of a variety of light mesons as well as of octet and decuplet baryons. In all these cases, the resulting configurations are favored energetically. The associated binding energies between the quarkonium in the heavy quark limit and the light hadron are found to be smaller than a few MeV, similar in strength to deuterium binding. It needs to be seen if the small attraction survives in the infinite volume limit and supports bound states or resonances.
Kenneth Wilson and lattice QCD
Ukawa, Akira
2015-01-01
We discuss the physics and computation of lattice QCD, a space-time lattice formulation of quantum chromodynamics, and Kenneth Wilson's seminal role in its development. We start with the fundamental issue of confinement of quarks in the theory of the strong interactions, and discuss how lattice QCD provides a framework for understanding this phenomenon. A conceptual issue with lattice QCD is a conflict of space-time lattice with chiral symmetry of quarks. We discuss how this problem is resolved. Since lattice QCD is a non-linear quantum dynamical system with infinite degrees of freedom, quantities which are analytically calculable are limited. On the other hand, it provides an ideal case of massively parallel numerical computations. We review the long and distinguished history of parallel-architecture supercomputers designed and built for lattice QCD. We discuss algorithmic developments, in particular the difficulties posed by the fermionic nature of quarks, and their resolution. The triad of efforts toward b...
Toward lattice fractional vector calculus
Tarasov, Vasily E.
2014-09-01
An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity.
Lattice topology dictates photon statistics.
Kondakci, H Esat; Abouraddy, Ayman F; Saleh, Bahaa E A
2017-08-21
Propagation of coherent light through a disordered network is accompanied by randomization and possible conversion into thermal light. Here, we show that network topology plays a decisive role in determining the statistics of the emerging field if the underlying lattice is endowed with chiral symmetry. In such lattices, eigenmode pairs come in skew-symmetric pairs with oppositely signed eigenvalues. By examining one-dimensional arrays of randomly coupled waveguides arranged on linear and ring topologies, we are led to a remarkable prediction: the field circularity and the photon statistics in ring lattices are dictated by its parity while the same quantities are insensitive to the parity of a linear lattice. For a ring lattice, adding or subtracting a single lattice site can switch the photon statistics from super-thermal to sub-thermal, or vice versa. This behavior is understood by examining the real and imaginary fields on a lattice exhibiting chiral symmetry, which form two strands that interleave along the lattice sites. These strands can be fully braided around an even-sited ring lattice thereby producing super-thermal photon statistics, while an odd-sited lattice is incommensurate with such an arrangement and the statistics become sub-thermal.
Zayak, A T; Enkovaara, J A; Ayuela, A; Nieminen, R M
2003-01-01
A series of first-principles calculations were performed for ferromagnetic Ni sub 2 MnGa using density functional theory and PAW potentials. Theoretically, a tetragonal crystal structure homogeneous lattice-distortive strain is stabilized around c/a = 0.94 with respect to the L2 sub 1 structure when, in addition, modulation shuffles with a period of five atomic planes are taken into account. This is in agreement with the observed structures in experimental works. The modulation appears to be critically important for stability of the tetragonal structure with c/a < 1. Here, we report a new feature which is related to the optimum amplitudes of the modulation in different atomic planes. Related to this are systematic changes in the minority spin density of states near the Fermi surface, like in the formalism of a pseudo-gap.
Congruence lattices of free lattices in non-distributive varieties
Ploscica, M; Wehrung, F; Ploscica, Miroslav; Tuma, Jiri; Wehrung, Friedrich
2005-01-01
We prove that for any free lattice F with at least $\\aleph\\_2$ generators in any non-distributive variety of lattices, there exists no sectionally complemented lattice L with congruence lattice isomorphic to the one of F. This solves a question formulated by Gr\\"{a}tzer and Schmidt in 1962. This yields in turn further examples of simply constructed distributive semilattices that are not isomorphic to the semilattice of ﬁnitely generated two-sided ideals in any von Neumann regular ring.
Lattice Vibrations in Chlorobenzenes:
DEFF Research Database (Denmark)
Reynolds, P. A.; Kjems, Jørgen; White, J. W.
1974-01-01
Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K...... was applied in order to correct for anharmonic effects. Calculations based on the atom‐atom model for van der Waals' interaction and on general potential parameters for the aromatic compounds agree reasonably well with the experimental observations. There is no substantial improvement in fit obtained either...
Drashkovicheva, Kh; Igoshin, V I; Katrinyak, T; Kolibiar, M
1989-01-01
This book is another publication in the recent surveys of ordered sets and lattices. The papers, which might be characterized as "reviews of reviews," are based on articles reviewed in the Referativnyibreve Zhurnal: Matematika from 1978 to 1982. For the sake of completeness, the authors also attempted to integrate information from other relevant articles from that period. The bibliography of each paper provides references to the reviews in RZhMat and Mathematical Reviews where one can seek more detailed information. Specifically excluded from consideration in this volume were such topics as al
Barium Titanate Nanoparticles: Short-range Lattice Distortions with Long-range Cubic Order
Haskell, Richard C.; Shi, Chenyang; Billinge, Simon J. L.; Puma, Eric; Bang, Sun Hwi; Bean, Nathaniel J. H.; de Sugny, Jean-Claude; Gambee, Robert G.; Hightower, Adrian; Monson, Todd C.
Small barium titanate (BTO) nanoparticles (atomic pair distribution functions (PDFs). Fits to PDFs at temperatures of 20° to 220°C suggest that Ti atom displacements from the center of the unit cell are comparable to or even greater than those in the bulk material and persist at temperatures well above 120°C where the tetragonal to pseudo-cubic phase transition occurs in the bulk. Raman spectra acquired over a temperature range of 20° to 220°C confirm that small BTO nanoparticles exhibit a distorted unit cell even above 120°C. On the other hand, small BTO nanoparticles exhibit a long-range order consistent with a cubic lattice as recorded by laboratory XRD Bragg reflections at temperatures of 20° to 150°C. We have reconciled these seemingly contradictory data sets by fitting the PDFs over their full range of 6 nm to reveal a long-range structure with a reduced lattice distortion that still manages to support tetragonal Raman lines but is sufficiently close to cubic to yield apparent Bragg peak singlets. US DOE NNSA contract DE-AC04-94AL85000 and US DOE Office of Science contract DE-SC00112704.
Hosotani mechanism on the lattice
Cossu, G.; Itou, E.; Hatanaka, H.; Hosotani, Y.; Noaki, J.
We explore the phase structure and symmetry breaking in four-dimensional SU(3) gauge theory with one spatial compact dimension on the lattice in the presence of fermions in the adjoint and fundamental representations with general boundary conditions. The eigenvalue phases of Polyakov loops and the associated susceptibility are measured on 16^3 x 4 lattice. We establish a correspondence between the phases found on the lattice and the gauge symmetry breaking by the Hosotani mechanism.
Compactons in strongly nonlinear lattices
Ahnert, Karsten
2010-01-01
In the present work, we study wave phenomena in strongly nonlinear lattices. Such lattices are characterized by the absence of classical linear waves. We demonstrate that compactons – strongly localized solitary waves with tails decaying faster than exponential – exist and that they play a major role in the dynamics of the system under consideration. We investigate compactons in different physical setups. One part deals with lattices of dispersively coupled limit cycle oscillators which find ...
Convection-diffusion lattice Boltzmann scheme for irregular lattices
Sman, van der R.G.M.; Ernst, M.H.
2000-01-01
In this paper, a lattice Boltzmann (LB) scheme for convection diffusion on irregular lattices is presented, which is free of any interpolation or coarse graining step. The scheme is derived using the axioma that the velocity moments of the equilibrium distribution equal those of the
Elimination of spurious lattice fermion solutions and noncompact lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Lee, T.D.
1997-09-22
It is well known that the Dirac equation on a discrete hyper-cubic lattice in D dimension has 2{sup D} degenerate solutions. The usual method of removing these spurious solutions encounters difficulties with chiral symmetry when the lattice spacing l {ne} 0, as exemplified by the persistent problem of the pion mass. On the other hand, we recall that in any crystal in nature, all the electrons do move in a lattice and satisfy the Dirac equation; yet there is not a single physical result that has ever been entangled with a spurious fermion solution. Therefore it should not be difficult to eliminate these unphysical elements. On a discrete lattice, particle hop from point to point, whereas in a real crystal the lattice structure in embedded in a continuum and electrons move continuously from lattice cell to lattice cell. In a discrete system, the lattice functions are defined only on individual points (or links as in the case of gauge fields). However, in a crystal the electron state vector is represented by the Bloch wave functions which are continuous functions in {rvec {gamma}}, and herein lies one of the essential differences.
Variational method of determining effective moduli of polycrystals with tetragonal symmetry
Meister, R.; Peselnick, L.
1966-01-01
Variational principles have been applied to aggregates of randomly oriented pure-phase polycrystals having tetragonal symmetry. The bounds of the effective elastic moduli obtained in this way show a substantial improvement over the bounds obtained by means of the Voigt and Reuss assumptions. The Hill average is found to be a good approximation in most cases when compared to the bounds found from the variational method. The new bounds reduce in their limits to the Voigt and Reuss values. ?? 1966 The American Institute of Physics.
First-principles comparison of the cubic and tetragonal phases of Mo3Sb7
Nazir, Safdar
2011-03-01
Using ab initio density functional based methods, we study the normal metal state properties of the ∼3 K Mo3Sb7 superconductor, in its high temperature cubic and low temperature tetragonal structures. Although the density of states at the Fermi energy is reasonably high in both structures, our calculations unequivocally show that there exists no long range magnetic ordering in this system. We also address the optical properties of the compound. The magnetism in Mo3Sb7 is studied by fixed spin moment calculations, which yield a shallow non-magnetic minimum, thus inferring propensity to a magnetic instability. © 2011 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Shetty, D.K.
1997-06-01
This final technical report summarizes the significant research results obtained during the period July 1, 1993 through December 31, 1996 in the DOE-supported research project entitled, {open_quotes}Alumina Reinforced Tetragonal Zirconia (TZP) Composites{close_quotes}. The objective of the research was to develop high-strength and high-toughness ceramic composites by combining mechanisms of platelet, whisker or fiber reinforcement with transformation toughening. The approach used included reinforcement of Celia- or yttria-partially-stabilized zirconia (Ce-TZP or Y-TZP) with particulates, platelets, or continuous filaments of alumina.
Optical Abelian lattice gauge theories
Energy Technology Data Exchange (ETDEWEB)
Tagliacozzo, L., E-mail: luca.tagliacozzo@icfo.es [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); Celi, A., E-mail: alessio.celi@gmail.com [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); Zamora, A. [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); Lewenstein, M. [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08010 Barcelona (Spain)
2013-03-15
We discuss a general framework for the realization of a family of Abelian lattice gauge theories, i.e., link models or gauge magnets, in optical lattices. We analyze the properties of these models that make them suitable for quantum simulations. Within this class, we study in detail the phases of a U(1)-invariant lattice gauge theory in 2+1 dimensions, originally proposed by P. Orland. By using exact diagonalization, we extract the low-energy states for small lattices, up to 4 Multiplication-Sign 4. We confirm that the model has two phases, with the confined entangled one characterized by strings wrapping around the whole lattice. We explain how to study larger lattices by using either tensor network techniques or digital quantum simulations with Rydberg atoms loaded in optical lattices, where we discuss in detail a protocol for the preparation of the ground-state. We propose two key experimental tests that can be used as smoking gun of the proper implementation of a gauge theory in optical lattices. These tests consist in verifying the absence of spontaneous (gauge) symmetry breaking of the ground-state and the presence of charge confinement. We also comment on the relation between standard compact U(1) lattice gauge theory and the model considered in this paper. - Highlights: Black-Right-Pointing-Pointer We study the quantum simulation of dynamical gauge theories in optical lattices. Black-Right-Pointing-Pointer We focus on digital simulation of abelian lattice gauge theory. Black-Right-Pointing-Pointer We rediscover and discuss the puzzling phase diagram of gauge magnets. Black-Right-Pointing-Pointer We detail the protocol for time evolution and ground-state preparation in any phase. Black-Right-Pointing-Pointer We provide two experimental tests to validate gauge theory quantum simulators.
Directory of Open Access Journals (Sweden)
S. K. Tadokoro
2001-06-01
Full Text Available Nesta segunda parte são mostrados os resultados obtidos em cerâmicas densas de ZrO2: 3% mol Y2O3 (Y-TZP e 12% mol CeO2 (Ce-TZP, analisadas por espectroscopia Raman, microscopia eletrônica de varredura, e por espectroscopia de impedância. Os resultados mostram que, para ambos tipos de amostras, é possível obter cerâmicas densas (> 95% da densidade teórica para temperaturas de sinterização inferiores a 0,45 T F (T F = temperatura de fusão. A taxa de crescimento de grãos é dependente do cátion estabilizante, sendo maior para a Ce-TZP do que para a Y-TZP. Os espectros Raman de cerâmicas sinterizadas mostram as bandas típicas associadas aos modos ativos da fase cristalográfica tetragonal. Os resultados de espectroscopia de impedância são similares aos obtidos por outros pesquisadores tanto para cerâmicas convencionais quanto nanofásicas no caso da Y-TZP. Para a Ce-TZP foi observada uma redução na condutividade extrínseca em conseqüência da maior pureza do precursor cristalizado.Results on dense ZrO2: 3 mol% Y2O3 (Y-TZP and 12 mol% CeO2 (Ce-TZP ceramics are shown in this second part. Sintered specimens were analyzed by Raman spectroscopy, scanning electron microscopy and impedance spectroscopy. The main results show that both types of solid solutions may attain a high densification (> 95% of the theoretical density for sintering temperatures lower than 0.45 T F (T F = melting temperature. The rate of grain growth is governed by the stabilizing cation and is faster for Ce-TZP than for Y-TZP. Raman spectra exhibit the six characteristic bands of the tetragonal phase for both specimens. Impedance spectroscopy results for Y-TZP do not differ from those obtained for nanophase ceramics. A reduction in the extrinsic conductivity due to the high purity of the crystallized precursor was observed for Ce-TZP specimens.
The lattice of ordinable topologies
Pachón Rubiano, Nestor
2012-01-01
We demonstrate that the ordinable topologies for a set X areprecisely those that occupy the upper part of the lattice of topologies for X, and that they determine a lattice, not always complete or distributive. We also found the amount of complements, and principal complements, for certainordinable topologies, generalizing a known result of P. S. Schnare.
Lattice Induced Transparency in Metasurfaces
Manjappa, Manukumara; Singh, Ranjan
2016-01-01
Lattice modes are intrinsic to the periodic structures and their occurrence can be easily tuned and controlled by changing the lattice constant of the structural array. Previous studies have revealed excitation of sharp absorption resonances due to lattice mode coupling with the plasmonic resonances. Here, we report the first experimental observation of a lattice induced transparency (LIT) by coupling the first order lattice mode (FOLM) to the structural resonance of a metamaterial resonator at terahertz frequencies. The observed sharp transparency is a result of the destructive interference between the bright mode and the FOLM mediated dark mode. As the FOLM is swept across the metamaterial resonance, the transparency band undergoes large change in its bandwidth and resonance position. Besides controlling the transparency behaviour, LIT also shows a huge enhancement in the Q-factor and record high group delay of 28 ps, which could be pivotal in ultrasensitive sensing and slow light device applications.
Lattice quantum chromodynamics practical essentials
Knechtli, Francesco; Peardon, Michael
2017-01-01
This book provides an overview of the techniques central to lattice quantum chromodynamics, including modern developments. The book has four chapters. The first chapter explains the formulation of quarks and gluons on a Euclidean lattice. The second chapter introduces Monte Carlo methods and details the numerical algorithms to simulate lattice gauge fields. Chapter three explains the mathematical and numerical techniques needed to study quark fields and the computation of quark propagators. The fourth chapter is devoted to the physical observables constructed from lattice fields and explains how to measure them in simulations. The book is aimed at enabling graduate students who are new to the field to carry out explicitly the first steps and prepare them for research in lattice QCD.
Internal stresses and stability of the tetragonal phase in zirconia thin layers deposited by OMCVD
Energy Technology Data Exchange (ETDEWEB)
Benali, B.; Huntz, A.M. [University Paris-Sud, LEMHE-ICMMO, CNRS-UMR 8182, Bat. 410, F-91405 ORSAY Cedex (France); Andrieux, M. [University Paris-Sud, LEMHE-ICMMO, CNRS-UMR 8182, Bat. 410, F-91405 ORSAY Cedex (France)], E-mail: michel.andrieux@u-psud.fr; Ignat, M. [Laboratoire de Thermodynamique et Physico-Chimie Metallurgiques, LTPCM, INPG-ENSEEG, CNRS UMR 5614, F-38402 Saint Martin d' Heres (France); Poissonnet, S. [DEN/DANS/DMN/SRMP, CEA Saclay, F-91191 Gif/Yvette (France)
2008-07-15
Zirconia thin films were deposited by OMCVD (organo-metallic chemical vapour deposition) at various temperatures and oxygen partial pressures on a AISI 301 stainless steel substrate with Zr(thd){sub 4} as precursor. The as deposited 250 nm thin zirconia films presented a structure consisting of two phases: the expected monoclinic one and also an unexpected tetragonal phase. According to the literature, the stabilization of the tetragonal phase (metastable in massive zirconia) can be related to the crystallite size and/or to the generated internal compressive stresses. To analyze the effect of internal and external stresses on the thin film behaviour, in-situ tensile experiments were performed at room temperature and at high temperature (500 deg. C). Depending on the process parameters, phase transformations and damage evolution of the films were observed. Our results, associated to XRD (X-ray diffraction) analyses, used to determine phase ratios and residual stresses within the films, before and after the mechanical experiments, are discussed with respect to their microstructural changes.
Pusey, Marc Lee; Gorti, Sridhar; Forsythe, Elizabeth; Konnert, John
2002-01-01
Previous high resolution AFM studies of the (110) surface of tetragonal chicken egg white lysozyme crystals had shown that only one of two possible molecular surfaces is present, those constituting the completed 43 helices. These suggested that the crystal growth process was by the solution-phase assembly of the growth units, which then attach to the surface. However, the best fit for the imaged surfaces, vs. those predicted based upon the bulk crystallographic coordinates, were obtained when the packing about the 43 helices was "tightened up", while maintaining the underlying crystallographic unit cell spacing. This results in a widening of the gap between adjacent helices, and the top- most layer(s) may no longer be in contact. We postulated that the tightened packing about the helices is a result of the high salt concentrations in the bulk solution, used to crystallize the protein, driving hydrophobic interactions. Once the crystal surface is sufficiently buried by subsequent growth layers the ratio of salt to protein molecules decreases and the helices relax to their bulk crystallographic coordinates. The crystal surface helix structure is thus a reflection of the solution structure, and the tightness of the packing about the 43 helices would be a function of the bulk salt concentration. AFM images of the (110) surface of tetragonal lysozyme crystals grown under low (2%) and high (5%) NaCl concentrations reveal differences in the packing about the 43 helices consistent with the above proposal.
Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.
2016-01-01
Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.
Vlahos, E.; Kumar, A.; Denev, S.; Melville, A.; Adamo, C.; Ihlefeld, J. F.; Sheng, G.; Zeches, R. J.; Zhang, J. X.; He, Q.; Yang, C. H.; Erni, R.; Rossell, M. D.; J, A.; Hatt; Chu, Y.-H.; Wang, C. H.; Ederer, C.; Gopalan, V.; Chen, L. Q.; Schlom, D. G.; Spaldin, N. A.; Martin, L. W.; Ramesh, R.; Tenne, Dmitri
2010-03-01
We have shown that biaxially strained BiFeO3 thin films can undergo an isosymmetric phase transition from a rhombohedral-like to a tetragonal-like phase. This talk discusses the evolution of the tetragonal and the mixed phases in BiFeO3/YAlO3 thin films with varying film thickness using optical second harmonic generation (SHG) and Raman spectroscopy. 25nm, 75nm, and 225 nm thick films were studied; thinner films are dominated by the tetragonal phase, whereas thicker films exhibit both tetragonal and rhombohedral phases. The evolution of these phases as function of film thickness and temperature was experimentally determined.
Lattice gas cellular automata and lattice Boltzmann models an introduction
Wolf-Gladrow, Dieter A
2000-01-01
Lattice-gas cellular automata (LGCA) and lattice Boltzmann models (LBM) are relatively new and promising methods for the numerical solution of nonlinear partial differential equations. The book provides an introduction for graduate students and researchers. Working knowledge of calculus is required and experience in PDEs and fluid dynamics is recommended. Some peculiarities of cellular automata are outlined in Chapter 2. The properties of various LGCA and special coding techniques are discussed in Chapter 3. Concepts from statistical mechanics (Chapter 4) provide the necessary theoretical background for LGCA and LBM. The properties of lattice Boltzmann models and a method for their construction are presented in Chapter 5.
Arins, A. W.; Jurca, H. F.; Zarpellon, J.; Fabrim, Z. E.; Fichtner, P. F. P.; Varalda, J.; Schreiner, W. H.; Mosca, D. H.
2015-05-01
MnGa films of few nanometer thickness with tetragonal zinc-blende (TZB) structure were grown by molecular beam epitaxy on GaAs(111) substrates. These ultrathin films have high magnetization at room temperature with magnetic moment as high as 3.2 μB per formula unit. A strong magnetocrystalline anisotropy energy (MAE) comparable to that reported to δ-MnGa films with body-centered tetragonal (BCT) structure with similar c/a=1.1 is observed. Electronic structure calculations using density functional theory (DFT) reveal a robust ferrimagnetic ground state at room temperature and confirm that zinc-blende structure with tetragonal distortion has a metastable character. The strong MAE is associated with anisotropy of orbital magnetic moment which is described by the symmetry of the spin-polarized charge density along the crystallographic axes.
Borwein, J M; McPhedran, R C
2013-01-01
The study of lattice sums began when early investigators wanted to go from mechanical properties of crystals to the properties of the atoms and ions from which they were built (the literature of Madelung's constant). A parallel literature was built around the optical properties of regular lattices of atoms (initiated by Lord Rayleigh, Lorentz and Lorenz). For over a century many famous scientists and mathematicians have delved into the properties of lattices, sometimes unwittingly duplicating the work of their predecessors. Here, at last, is a comprehensive overview of the substantial body of
Lattice Methods for Quantum Chromodynamics
DeGrand, Thomas
2006-01-01
Numerical simulation of lattice-regulated QCD has become an important source of information about strong interactions. In the last few years there has been an explosion of techniques for performing ever more accurate studies on the properties of strongly interacting particles. Lattice predictions directly impact many areas of particle and nuclear physics theory and phenomenology. This book provides a thorough introduction to the specialized techniques needed to carry out numerical simulations of QCD: a description of lattice discretizations of fermions and gauge fields, methods for actually do
Localized structures in Kagome lattices
Energy Technology Data Exchange (ETDEWEB)
Saxena, Avadh B [Los Alamos National Laboratory; Bishop, Alan R [Los Alamos National Laboratory; Law, K J H [UNIV OF MASSACHUSETTS; Kevrekidis, P G [UNIV OF MASSACHUSETTS
2009-01-01
We investigate the existence and stability of gap vortices and multi-pole gap solitons in a Kagome lattice with a defocusing nonlinearity both in a discrete case and in a continuum one with periodic external modulation. In particular, predictions are made based on expansion around a simple and analytically tractable anti-continuum (zero coupling) limit. These predictions are then confirmed for a continuum model of an optically-induced Kagome lattice in a photorefractive crystal obtained by a continuous transformation of a honeycomb lattice.
Depth resolved domain mapping in tetragonal SrTiO{sub 3} by micro-Laue diffraction
Energy Technology Data Exchange (ETDEWEB)
Merz, T. A., E-mail: tmerz@stanford.edu; Inoue, H. [Geballe Laboratory for Advanced Materials, Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Noad, H.; Hikita, Y.; Vailionis, A.; Moler, K. A.; Hwang, H. Y. [Geballe Laboratory for Advanced Materials, Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Xu, R.; Liu, W. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
2016-05-02
We present depth resolved X-ray micro-Laue diffraction experiments on the low temperature domain structure of SrTiO{sub 3}. At 80 K, monochromatic X-ray diffraction shows an elongated out-of-plane unit cell axis within a matrix of in-plane oriented tetragonal unit cells. Full deviatoric strain mappings from white beam diffraction show a dominance of two tetragonal domain orientations (x- and z-axes) over a large area of sample surface. This information sets an upper bound on domain wall widths and offers a method for studying 3D domain structure at low temperatures.
Depth resolved domain mapping in tetragonal SrTiO _{3} by micro-Laue diffraction
Energy Technology Data Exchange (ETDEWEB)
Merz, T. A.; Noad, H.; Xu, R.; Inoue, H.; Liu, W.; Hikita, Y.; Vailionis, A.; Moler, K. A.; Hwang, H. Y.
2016-05-02
We present depth resolved X-ray micro-Laue diffraction experiments on the low temperature domain structure of SrTiO3. At 80K, monochromatic X-ray diffraction shows an elongated out-of-plane unit cell axis within a matrix of in-plane oriented tetragonal unit cells. Full deviatoric strain mappings from white beam diffraction show a dominance of two tetragonal domain orientations (x- and z-axes) over a large area of sample surface. This information sets an upper bound on domain wall widths and offers a method for studying 3D domain structure at low temperatures.
Lattice quantum chromodynamics: Some topics
Indian Academy of Sciences (India)
Abstract. I review some topics in lattice quantum chromodynamics, focusing more on the recent results. These include: the QCD phase diagram in the - plane,; the quark number susceptibilities, and; the screening lengths.
Growth of (101) faces of tetragonal lysozyme crystals: measured growth-rate trends
Forsythe, E. L.; Nadarajah, A.; Pusey, M. L.
1999-01-01
Previous extensive measurements of the growth rates of the (110) face of tetragonal lysozyme crystals have shown unexpected dependencies on the supersaturation. In this study, similar growth-rate measurements were performed for the (101) faces of the crystals. The data show a similar dependence on the supersaturation, becoming appreciable only at high supersaturations, reaching a maximum value and then decreasing. The (101) growth rates are larger at low supersaturations than the (110) growth rates under the same conditions and are smaller at high supersaturations. These trends suggest that the growth mechanism of the (101) face is similar to that of the (110) face: both processes involve the addition of multimeric growth units formed in solution, but the average size of the units for the (101) face is likely to be smaller than for the (110) face.
Growth of (101) Faces of Tetragonal Lysozyme Crystals: Measured Growth Rate Trends
Forsythe, Elizabeth L.; Nadarajah, Arunan; Pusey, Marc L.
1998-01-01
Earlier extensive measurements of the growth rates of the (110) face of tetragonal lysozyme crystals had shown unexpected dependencies on the supersaturation. In this study similar growth rate measurements were done for the (101) faces of the crystals. The data show a similar dependence on the supersaturation, becoming appreciable only at high supersaturations, reaching a maximum value and then decreasing. As reported in earlier studies, the (101) growth rates are larger at low supersaturations than the (110) growth rates at the same conditions, and smaller at high supersaturations. These trends suggest that the growth mechanism of the (101) is similar to that of the (110) face, involving the addition of lysozyme aggregates formed in solution, but with a growth unit smaller than that of the (110) face.
Linear electro-optical properties of tetragonal BaTiO
Indian Academy of Sciences (India)
c Indian Academy of Sciences. Vol. 59, No. 3 ... of tetragonal BaTiO3 are computed using a formalism [3] based on Phillips–Van Vechtens' dielectric theory .... 8.51. 7.12. 5.80. C (eV). 11.72. 11.40. 10.85. 13.1. 11.1. 9.1 fi. 0.93. 0.93. 0.93. 0.70. 0.71. 0.71 fc. 0.07. 0.07. 0.07. 0.30. 0.29. 0.29 f. 0.026. 0.034. 0.048. 0.163. 0.131.
Stable tetragonal phase and magnetic properties of Fe-doped HfO2 nanoparticles
Directory of Open Access Journals (Sweden)
T. S. N. Sales
2017-05-01
Full Text Available In this paper, the effect in structural and magnetic properties of iron doping with concentration of 20% in hafnium dioxide (HfO2 nanoparticles is investigated. HfO2 is a wide band gap oxide with great potential to be used as high-permittivity gate dielectrics, which can be improved by doping. Nanoparticle samples were prepared by sol-gel chemical method and had their structure, morphology, and magnetic properties, respectively, investigated by X-ray diffraction (XRD, transmission electron microscopy (TEM and scanning electron microscopy (SEM with electron back scattering diffraction (EBSD, and magnetization measurements. TEM and SEM results show size distribution of particles in the range from 30 nm to 40 nm with small dispersion. Magnetization measurements show the blocking temperature at around 90 K with a strong paramagnetic contribution. XRD results show a major tetragonal phase (94%.
Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium tetrabromidocadmate
Directory of Open Access Journals (Sweden)
Tamara Đorđević
2016-07-01
Full Text Available Both unique Cd atoms in the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium tetrabromidocadmate, (C6H11N22[CdBr4], occupy special positions (site symmetry -4. The crystal structure consists of isolated tetrahedral [CdBr4]2− anions which are surrounded by 1-ethyl-3-methylimidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11:0.410 (11 ratio. In the crystal, (C6H11N2+ cations display three weak C—H...Br hydrogen-bond interactions through the imidazolium ring H atoms with the Br− ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding.
Discovery of natural MgSiO3 tetragonal garnet in a shocked chondritic meteorite.
Tomioka, Naotaka; Miyahara, Masaaki; Ito, Motoo
2016-03-01
MgSiO3 tetragonal garnet, which is the last of the missing phases of experimentally predicted high-pressure polymorphs of pyroxene, has been discovered in a shocked meteorite. The garnet is formed from low-Ca pyroxene in the host rock through a solid-state transformation at 17 to 20 GPa and 1900° to 2000°C. On the basis of the degree of cation ordering in its crystal structure, which can be deduced from electron diffraction intensities, the cooling rate of the shock-induced melt veins from ~2000°C was estimated to be higher than 10(3)°C/s. This cooling rate sets the upper bound for the shock-temperature increase in the bulk meteorite at ~900°C.
Structure of tetragonal martensite in the In95.42Cd4.58 cast alloy
Khlebnikova, Yu. V.; Egorova, L. Yu.; Rodionov, D. P.; Kazantsev, V. A.
2017-11-01
The structure of martensite in the In95.42Cd4.58 alloy has been studied by metallography, X-ray diffraction, dilatometry, and transmission electron microscopy. It has been shown that a massive structure built of colonies of tetragonal lamellar plates divided by a twin boundary {101}FCT is formed in the alloy under cooling below the martensite FCC → FCT transition temperature. The alloy recrystallizes after a cycle of FCT → FCC → FCT transitions with a decrease in the grain size by several times compared with the initial structure such fashion that the size of massifs and individual martensite lamella in the massif correlates with the change in the size of the alloy grain. Using thermal cycling, it has been revealed that the alloy tends to stabilize the high-temperature phase.
Lattice sieving and trial division
Golliver, R. A.; Lenstra, Arjen K.; McCurley, K. S.
1994-01-01
Reports on work in progress on our new implementation of the relation collection stage of the general number field sieve integer factoring algorithm. Our experiments indicate that we have achieved a substantial speed-up compared to other implementations that are reported in the literature. The main improvements are a new lattice sieving technique and a trial division method that is based on lattice sieving in a hash table. This also allows us to collect triple and quadruple large prime relati...
Lattice Studies of Hyperon Spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Richards, David G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)
2016-04-01
I describe recent progress at studying the spectrum of hadrons containing the strange quark through lattice QCD calculations. I emphasise in particular the richness of the spectrum revealed by lattice studies, with a spectrum of states at least as rich as that of the quark model. I conclude by prospects for future calculations, including in particular the determination of the decay amplitudes for the excited states.
Lattice QCD: A Brief Introduction
Meyer, H. B.
A general introduction to lattice QCD is given. The reader is assumed to have some basic familiarity with the path integral representation of quantum field theory. Emphasis is placed on showing that the lattice regularization provides a robust conceptual and computational framework within quantum field theory. The goal is to provide a useful overview, with many references pointing to the following chapters and to freely available lecture series for more in-depth treatments of specifics topics.
QCD calculations with optical lattices?
Meurice, Y
2012-01-01
By trapping cold polarizable atoms in periodic potentials created by crossed laser beams, it is now possible to experimentally create "clean" lattice systems. Experimentalists have successfully engineered local and nearest-neighbor interactions that approximately recreate Hubbard-like models on table tops. I discuss the possibility of using this new technology in the context of lattice gauge theory and in particular, relativistic dispersion relations, flavor symmetry, functional derivatives and emerging local gauge symmetry.
Energy Technology Data Exchange (ETDEWEB)
DeGrand, T. [Univ. of Colorado, Boulder, CO (United States). Dept. of Physics
1997-06-01
These lectures provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1: Basic techniques for QCD and results for hadron spectroscopy using the simplest discretizations; lecture 2: Improved actions--what they are and how well they work; lecture 3: SLAC physics from the lattice-structure functions, the mass of the glueball, heavy quarks and {alpha}{sub s} (M{sub z}), and B-{anti B} mixing. 67 refs., 36 figs.
Comparative characterization of rhombohedral and tetragonal PZN-PT single crystals
Directory of Open Access Journals (Sweden)
D. Kobor
2011-06-01
Full Text Available Ferroelectric single crystals Pb(Zn1/3Nb2/3O3–PbTiO3 (PZN–PT are promising full materials for nonresonant or large bandwidth transducers due to the large values of their piezoelectric properties (dij, kij and their mechanical quality factor (Qij. However the properties of these materials depend greatly on the content of titanium which influences very significantly the symmetry of the crystal. In this paper we try to understand the influence of the percentage of Titanium in these crystals by studying the two compositions that are in very different phases at room temperature (rhombohedral and tetragonal symmetries. Crystals of pure PZN–4.5PT and PZN-12PT were grown by a Flux technique. The typical single crystals obtained are brown yellow. The room temperature dielectric permittivity along the direction is about 900 for the PZN-12PT, which is smaller than that of the PZN–4.5PT (5840. The Curie point Tc of the tetragonal crystal is about 220 °C (which is higher than that of the rhombohedral one (166 °C, while the ferroelectric phase transition temperature is 130 °C for the PZN-4.5PT single crystal. The remnant polarization and coercive field of oriented crystals measured at 1 kHz are around 40 μC/cm2 and 3.30 kV/cm, respectively for the PZN-4.5PT, 27μC/cm2 and 11.1 kV/cm for the PZN-12PT single crystal. The d33 versus uniaxial stress shows that this coefficient is more stable for the single crystal with low Ti than for that with high rate of Ti. The study of temperature stability on these crystals shows a possible presence of an unidentified phase in the low and negative range temperature for the PZN-4.5PT.
DEFF Research Database (Denmark)
Frello, T.; Andersen, N.H.; Baziljevich, M.
2003-01-01
superconducting. This makes the sample highly anomalous in two respects: with a stoichiometry of YBa2Cu3O6.62 the sample should have an orthorhombic symmetry, and a tetragonal undoped sample should not be superconducting at all. Our results corroborate previous findings of Topnikov [JETP Lett. 46, 577 (1987......)] of a tetragonal superconducting YBCO crystal with x=0.62....
Homomorphisms of complete distributive lattices | Pultr ...
African Journals Online (AJOL)
A survey of analogous results on algebraic universality of categories based on finitary distributive (0, 1)-lattices is included to motivate further questions about categories based on complete distributive lattices. Keywords: complete distributive lattice, complete lattice homomorphism, frame, Heyting algebra, continuous map, ...
Zhang, Ning; Asle Zaeem, Mohsen
2017-07-01
The nanoscale plastic deformation of yttria-stabilized tetragonal zirconia (YSTZ) is highly dependent on the crystallographic orientations, i.e., dislocation is induced when the loading direction is 45° tilted to {111} and {101} slip planes, while tetragonal to monoclinic phase transformation dominates the plastic deformation when loading direction is perpendicular to the slip planes. This study investigates the effects of specimen size and yttria concentration on the mechanical response of single crystalline YSTZ nanopillars. Through uniaxial compression test, the smaller-is-stronger phenomenon is revealed in nanopillars deformed through a dislocation motion mechanism. Serrated stacking faults are observed in the smallest nanopillar, while neat primary slip plane forms in the largest nanopillar. In contrast, the larger-is-stronger relation is observed in nanopillars in which deformation is mediated by tetragonal to monoclinic phase transformation. It is noted that the ratio of transformed monoclinic phase to the remaining tetragonal phase is the highest in the smallest nanopillar. The strength of nanopillars is identified to decrease by increasing the amount of yttria due to the creation of more oxygen vacancies that act as weak points to facilitate dislocation motion and accelerate phase transformation.
Energy Technology Data Exchange (ETDEWEB)
Arins, A.W.; Jurca, H.F. [Laboratório de Superfícies e Interfaces, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná (Brazil); Zarpellon, J. [Laboratório de Superfícies e Interfaces, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná (Brazil); Universidade Estadual do Centro-Oeste-Campus Irati, PR 153km 7, CEP 84500-000, Irati, Paraná (Brazil); Fabrim, Z.E.; Fichtner, P.F.P. [Departamento de Metalurgia e Laboratório de Implantação Iônica-Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, 91501-970 Porto Alegre, RS (Brazil); Varalda, J; Schreiner, W.H.; Mosca, D.H [Laboratório de Superfícies e Interfaces, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná (Brazil)
2015-05-01
MnGa films of few nanometer thickness with tetragonal zinc-blende (TZB) structure were grown by molecular beam epitaxy on GaAs(111) substrates. These ultrathin films have high magnetization at room temperature with magnetic moment as high as 3.2 μ{sub B} per formula unit. A strong magnetocrystalline anisotropy energy (MAE) comparable to that reported to δ-MnGa films with body-centered tetragonal (BCT) structure with similar c/a=1.1 is observed. Electronic structure calculations using density functional theory (DFT) reveal a robust ferrimagnetic ground state at room temperature and confirm that zinc-blende structure with tetragonal distortion has a metastable character. The strong MAE is associated with anisotropy of orbital magnetic moment which is described by the symmetry of the spin-polarized charge density along the crystallographic axes. - Highlights: • MnGa epilayers with tetragonal zinc-blende structure were grown. • Density functional theory calculations reveal a robust ferrimagnetic ground state at room temperature. • Substantial magnetocrystalline anisotropy is associated with the symmetry of the spin-polarized charge density of Mn 4d sites. • MnGa alloy films are promising for spintronics applications.
Jiang, Wenbo; Qiang, Yicheng; Liu, Meijiao; Li, Weihua; Qiu, Feng; Shi, An-Chang
2017-09-27
The phase behavior of binary blends composed of AB diblock and (A'B) n star copolymers is studied using the polymeric self-consistent field theory, focusing on the formation and stability of the stable tetragonal phase of cylinders. In general, cylindrical domains self-assembled from AB-type block copolymers are packed into a hexagonal array, although a tetragonal array of cylinders could be more favourable for lithography applications in microelectronics. The polymer blends are designed such that there is an attractive interaction between the A and A' blocks, which increases the compatibility between the two copolymers and thus suppresses the macroscopic phase separation of the blends. With an appropriate choice of system parameters, a considerable stability window for the targeted tetragonal phase is identified in the blends. Importantly, the transition mechanism between the hexagonal and tetragonal phases is elucidated by examining the distribution of the two types of copolymers in the unit cell of the structure. The results reveal that the short (A'B) n star copolymers are preferentially located in the bonding area connecting two neighboring domains in order to reduce extra stretching, whereas the long AB diblock copolymers are extended to further space of the unit cell.
Antiferromagnetic Kondo lattice compound CePt3P.
Chen, Jian; Wang, Zhen; Zheng, Shiyi; Feng, Chunmu; Dai, Jianhui; Xu, Zhu'an
2017-02-03
A new ternary platinum phosphide CePt3P was synthesized and characterized by means of magnetic, thermodynamic and transport measurements. The compound crystallizes in an antiperovskite tetragonal structure similar to that in the canonical family of platinum-based superconductors APt3P (A = Sr, Ca, La) and closely related to the noncentrosymmetric heavy fermion superconductor CePt3Si. In contrast to all the superconducting counterparts, however, no superconductivity is observed in CePt3P down to 0.5 K. Instead, CePt3P displays a coexistence of antiferromagnetic ordering, Kondo effect and crystalline electric field effect. A field-induced spin-flop transition is observed below the magnetic ordering temperature TN1 of 3.0 K while the Kondo temperature is of similar magnitude as TN1. The obtained Sommerfeld coefficient of electronic specific heat is γCe = 86 mJ/mol·K2 indicating that CePt3P is a moderately correlated antiferromagnetic Kondo lattice compound.
Embedded Lattice and Properties of Gram Matrix
Directory of Open Access Journals (Sweden)
Futa Yuichi
2017-03-01
Full Text Available In this article, we formalize in Mizar [14] the definition of embedding of lattice and its properties. We formally define an inner product on an embedded module. We also formalize properties of Gram matrix. We formally prove that an inverse of Gram matrix for a rational lattice exists. Lattice of Z-module is necessary for lattice problems, LLL (Lenstra, Lenstra and Lov´asz base reduction algorithm [16] and cryptographic systems with lattice [17].
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.
Energy Technology Data Exchange (ETDEWEB)
Hahn, Steven [Iowa State Univ., Ames, IA (United States)
2012-01-01
Modern calculations are becoming an essential, complementary tool to inelastic x-ray scattering studies, where x-rays are scattered inelastically to resolve meV phonons. Calculations of the inelastic structure factor for any value of Q assist in both planning the experiment and analyzing the results. Moreover, differences between the measured data and theoretical calculations help identify important new physics driving the properties of novel correlated systems. We have used such calculations to better and more e ciently measure the phonon dispersion and elastic constants of several iron pnictide superconductors. This dissertation describes calculations and measurements at room temperature in the tetragonal phase of CaFe{sub 2}As{sub 2} and LaFeAsO. In both cases, spin-polarized calculations imposing the antiferromagnetic order present in the low-temperature orthorhombic phase dramatically improves the agreement between theory and experiment. This is discussed in terms of the strong antiferromagnetic correlations that are known to persist in the tetragonal phase. In addition, we discuss a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD), which goes beyond the harmonic approximation to include phonon-phonon interactions and produce a temperature-dependent phonon dispersion. We used this technique to study the HCP to BCC transition in beryllium.
Energy Technology Data Exchange (ETDEWEB)
Zamani, Vajiheh Alijani
2012-03-07
shown that the series Mn{sub 3-x}Co{sub x}Ga crystallizes in the inverse tetragonal structure, for x=0.1-0.4 and in the cubic inverse Heusler structure, for x=0.6-1. In this series, while the tetragonal alloys, hard magnets, exhibit the features typically attractive for STT applications, the cubic systems, soft magnets, present 100% spin polarized materials obeying the Slater-Pauling rule. In Mn{sub 2-x}Rh{sub 1+x}Sn series, Mn{sub 2}RhSn crystallizes in the inverse tetragonal structure, shows a hard-magnetic hysteresis loop and does not follow the Slater-Pauling rule. With substituting Mn by Rh, the inverse cubic structure is observed. All cubic samples show perfect Slater-Pauling behavior and a soft hysteresis loop.
Quantum lattice model solver HΦ
Kawamura, Mitsuaki; Yoshimi, Kazuyoshi; Misawa, Takahiro; Yamaji, Youhei; Todo, Synge; Kawashima, Naoki
2017-08-01
HΦ [aitch-phi ] is a program package based on the Lanczos-type eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with two-body interactions, including the Heisenberg model, the Kitaev model, the Hubbard model and the Kondo-lattice model. While it works well on PCs and PC-clusters, HΦ also runs efficiently on massively parallel computers, which considerably extends the tractable range of the system size. In addition, unlike most existing packages, HΦ supports finite-temperature calculations through the method of thermal pure quantum (TPQ) states. In this paper, we explain theoretical background and user-interface of HΦ. We also show the benchmark results of HΦ on supercomputers such as the K computer at RIKEN Advanced Institute for Computational Science (AICS) and SGI ICE XA (Sekirei) at the Institute for the Solid State Physics (ISSP).
Nuclear physics from lattice simulations
Doi, Takumi
2012-01-01
We review recent lattice QCD activities with emphasis on the impact on nuclear physics. In particular, the progress toward the determination of nuclear and baryonic forces (potentials) using Nambu-Bethe-Salpeter (NBS) wave functions is presented. We discuss major challenges for multi-baryon systems on the lattice: (i) signal to noise issue and (ii) computational cost issue. We argue that the former issue can be avoided by extracting energy-independent (non-local) potentials from time-dependent NBS wave functions without relying on the ground state saturation, and the latter cost is drastically reduced by developing a novel "unified contraction algorithm." The lattice QCD results for nuclear forces, hyperon forces and three-nucleon forces are presented, and physical insights are discussed. Comparison to results from the traditional Luescher's method is given, and open issues to be resolved are addressed as well.
Lattice QCD for nuclear physics
Meyer, Harvey
2015-01-01
With ever increasing computational resources and improvements in algorithms, new opportunities are emerging for lattice gauge theory to address key questions in strongly interacting systems, such as nuclear matter. Calculations today use dynamical gauge-field ensembles with degenerate light up/down quarks and the strange quark and it is possible now to consider including charm-quark degrees of freedom in the QCD vacuum. Pion masses and other sources of systematic error, such as finite-volume and discretization effects, are beginning to be quantified systematically. Altogether, an era of precision calculation has begun, and many new observables will be calculated at the new computational facilities. The aim of this set of lectures is to provide graduate students with a grounding in the application of lattice gauge theory methods to strongly interacting systems, and in particular to nuclear physics. A wide variety of topics are covered, including continuum field theory, lattice discretizations, hadron spect...
Lattice gas with molecular dynamics collision operator
Parsa, M. Reza; Wagner, Alexander J.
2017-07-01
We introduce a lattice gas implementation that is based on coarse-graining a molecular dynamics (MD) simulation. Such a lattice gas is similar to standard lattice gases, but its collision operator is informed by an underlying MD simulation. This can be considered an optimal lattice gas implementation because it allows for the representation of any system that can be simulated with MD. We show here that equilibrium behavior of the popular lattice Boltzmann algorithm is consistent with this optimal lattice gas. This comparison allows us to make a more accurate identification of the expressions for temperature and pressure in lattice Boltzmann simulations, which turn out to be related not only to the physical temperature and pressure but also to the lattice discretization. We show that for any spatial discretization, we need to choose a particular temporal discretization to recover the lattice Boltzmann equilibrium.
A uniform refinement property for congruence lattices
Wehrung, F
2005-01-01
The Congruence Lattice Problem asks whether every algebraic distributive lattice is isomorphic to the congruence lattice of a lattice. It was hoped that a positive solution would follow from E. T. Schmidt's construction or from the approach of P. Pudlak, M. Tischendorf, and J. Tuma. In a previous paper, we constructed a distributive algebraic lattice $A$ with $\\aleph\\_2$ compact elements that cannot be obtained by Schmidt's construction. In this paper, we show that the same lattice $A$ cannot be obtained using the Pudlak, Tischendorf, Tuma approach. The basic idea is that every congruence lattice arising from either method satisfies the Uniform Refinement Property, which is not satisfied by our example. This yields, in turn, corresponding negative results about congruence lattices of sectionally complemented lattices and two-sided ideals of von Neumann regular rings.
Nucleon structure from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Dinter, Simon
2012-11-13
In this thesis we compute within lattice QCD observables related to the structure of the nucleon. One part of this thesis is concerned with moments of parton distribution functions (PDFs). Those moments are essential elements for the understanding of nucleon structure and can be extracted from a global analysis of deep inelastic scattering experiments. On the theoretical side they can be computed non-perturbatively by means of lattice QCD. However, since the time lattice calculations of moments of PDFs are available, there is a tension between these lattice calculations and the results from a global analysis of experimental data. We examine whether systematic effects are responsible for this tension, and study particularly intensively the effects of excited states by a dedicated high precision computation. Moreover, we carry out a first computation with four dynamical flavors. Another aspect of this thesis is a feasibility study of a lattice QCD computation of the scalar quark content of the nucleon, which is an important element in the cross-section of a heavy particle with the nucleon mediated by a scalar particle (e.g. Higgs particle) and can therefore have an impact on Dark Matter searches. Existing lattice QCD calculations of this quantity usually have a large error and thus a low significance for phenomenological applications. We use a variance-reduction technique for quark-disconnected diagrams to obtain a precise result. Furthermore, we introduce a new stochastic method for the calculation of connected 3-point correlation functions, which are needed to compute nucleon structure observables, as an alternative to the usual sequential propagator method. In an explorative study we check whether this new method is competitive to the standard one. We use Wilson twisted mass fermions at maximal twist in all our calculations, such that all observables considered here have only O(a{sup 2}) discretization effects.
Kondo length in bosonic lattices
Giuliano, Domenico; Sodano, Pasquale; Trombettoni, Andrea
2017-09-01
Motivated by the fact that the low-energy properties of the Kondo model can be effectively simulated in spin chains, we study the realization of the effect with bond impurities in ultracold bosonic lattices at half filling. After presenting a discussion of the effective theory and of the mapping of the bosonic chain onto a lattice spin Hamiltonian, we provide estimates for the Kondo length as a function of the parameters of the bosonic model. We point out that the Kondo length can be extracted from the integrated real-space correlation functions, which are experimentally accessible quantities in experiments with cold atoms.
Hadron Interactions from lattice QCD
Directory of Open Access Journals (Sweden)
Aoki Sinya
2016-01-01
Full Text Available We review our strategy to study hadron interactions from lattice QCD using newly proposed potential method. We first explain our strategy in the case of nuclear potentials and its application to nuclear physics. We then discuss the origin of the repulsive core, by adding strange quarks to the system. We also explore a possibility for H-dibaryon to exist in flavor SU(3 limit of lattice QCD. We conclude the paper with an application of our strategy to investigate the maximum mass of neutron stars.
Nuclear Physics from Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
William Detmold, Silas Beane, Konstantinos Orginos, Martin Savage
2011-01-01
We review recent progress toward establishing lattice Quantum Chromodynamics as a predictive calculational framework for nuclear physics. A survey of the current techniques that are used to extract low-energy hadronic scattering amplitudes and interactions is followed by a review of recent two-body and few-body calculations by the NPLQCD collaboration and others. An outline of the nuclear physics that is expected to be accomplished with Lattice QCD in the next decade, along with estimates of the required computational resources, is presented.
Graphene on graphene antidot lattices
DEFF Research Database (Denmark)
Gregersen, Søren Schou; Pedersen, Jesper Goor; Power, Stephen
2015-01-01
Graphene bilayer systems are known to exhibit a band gap when the layer symmetry is broken by applying a perpendicular electric field. The resulting band structure resembles that of a conventional semiconductor with a parabolic dispersion. Here, we introduce a bilayer graphene heterostructure......, where single-layer graphene is placed on top of another layer of graphene with a regular lattice of antidots. We dub this class of graphene systems GOAL: graphene on graphene antidot lattice. By varying the structure geometry, band-structure engineering can be performed to obtain linearly dispersing...
Unconventional superconductivity in honeycomb lattice
Directory of Open Access Journals (Sweden)
P Sahebsara
2013-03-01
Full Text Available The possibility of symmetrical s-wave superconductivity in the honeycomb lattice is studied within a strongly correlated regime, using the Hubbard model. The superconducting order parameter is defined by introducing the Green function, which is obtained by calculating the density of the electrons . In this study showed that the superconducting order parameter appears in doping interval between 0 and 0.5, and x=0.25 is the optimum doping for the s-wave superconductivity in honeycomb lattice.
Directory of Open Access Journals (Sweden)
A. Colantoni
2014-01-01
Full Text Available CuxAg1−xInS2 solid thin films were fabricated through a low-cost process. Particular process-related enhanced properties lead to reaching a minimum of lattice mismatch between absorber and buffer layers within particular solar cell devices. First, copper-less samples X-ray diffraction analysis depicts the presence of AgInS2 ternary compound in chalcopyrite tetragonal phase with privileged (112 peak (d112=1.70 Å according to JCPDS 75-0118 card. Second, when x content increases, we note a shift of the same preferential orientation (112 and its value reaches 1.63 Å corresponding to CuInS2 chalcopyrite tetragonal material according to JCPDS 89-6095 file. Finally, the formation and stability of these quaternaries have been discussed in terms of the lattice compatibility in relation with silver-copper duality within indium disulfide lattice structure. Plausible explanations for the extent and dynamics of copper incorporation inside AgInS2 elaborated ternary matrices have been proposed.
Wear behavior of tetragonal zirconia polycrystal versus titanium and titanium alloy
Energy Technology Data Exchange (ETDEWEB)
Kanbara, Tsunemichi; Yajima, Yasutomo [Department of Oral Implantology, Tokyo Dental College, 1-2-2 Masago, Mihama-ku, Chiba 261-8502 (Japan); Yoshinari, Masao, E-mail: yosinari@tdc.ac.jp [Division of Oral Implant Research, Oral Health Science Center, Tokyo Dental College, 1-2-2 Masago, Mihama-ku, Chiba 261-8502 (Japan)
2011-04-15
The aim of this study was to clarify the influence of tetragonal zirconia polycrystal (TZP) on the two-body wear behavior of titanium (Ti). Two-body wear tests were performed using TZP, two grades of cp-Ti or Ti alloy in distilled water, and the cross-sectional area of worn surfaces was measured to evaluate the wear behavior. In addition, the surface hardness and coefficient of friction were determined and an electron probe microanalysis performed to investigate the underlying mechanism of wear. The hardness of TZP was much greater than that of Ti. The coefficient of friction between Ti and Ti showed a higher value than the Ti/TZP combination. Ti was more susceptible to wear by both TZP and Ti than TZP, indicating that the mechanism of wear between TZP and Ti was abrasive wear, whereas that between Ti and Ti was adhesive wear. No remarkable difference in the amount of wear in Ti was observed between TZP and Ti as the opposite material, despite the hardness value of Ti being much smaller than that of TZP. (communication)
Controllable Photovoltaic Effect of Microarray Derived from Epitaxial Tetragonal BiFeO3Films.
Lu, Zengxing; Li, Peilian; Wan, Jian-Guo; Huang, Zhifeng; Tian, Guo; Pan, Danfeng; Fan, Zhen; Gao, Xingsen; Liu, Jun-Ming
2017-08-16
Recently, the ferroelectric photovoltaic (FePV) effect has attracted great interest due to its potential in developing optoelectronic devices such as solar cell and electric-optical sensors. It is important for actual applications to realize a controllable photovoltaic process in ferroelectric-based materials. In this work, we prepared well-ordered microarrays based on epitaxially tetragonal BiFeO 3 (T-BFO) films by the pulsed laser deposition technique. The polarization-dependent photocurrent image was directly observed by a conductive atomic force microscope under ultraviolet illumination. By choosing a suitable buffer electrode layer and controlling the ferroelectric polarization in the T-BFO layer, we realized the manipulation of the photovoltaic process. Moreover, based on the analysis of the band structure, we revealed the mechanism of manipulating the photovoltaic process and attributed it to the competition between two key factors, i.e., the internal electric field caused by energy band alignments at interfaces and the depolarization field induced by the ferroelectric polarization in T-BFO. This work is very meaningful for deeply understanding the photovoltaic process of BiFeO 3 -based devices at the microscale and provides us a feasible avenue for developing data storage or logic switching microdevices based on the FePV effect.
Search for magnetism in transition metal atoms doped tetragonal graphene: A DFT approach
Chowdhury, Suman; Majumdar, Arnab; Jana, Debnarayan
2017-11-01
The discovery of different two-dimensional (2D) materials both theoretically and experimentally, can change the scenario of the current electronic industry because of their intriguing properties. Among the 2D materials, the first one which was discovered experimentally was graphene. In this work we have studied the electronic and magnetic properties of a new allotrope of disordered graphene, which is not hexagonal, rather possesses tetragonal symmetry known as T-graphene (TG). Density functional theory (DFT) has been thoroughly employed to study the relevant electronic properties. In previous works, it has been reported that pristine TG is non-magnetic. It is also known that, introducing transition metal (TM) atoms is a feasible way to control the electronic and magnetic properties. Here we have reported the relevant properties of four TM atoms i.e. Sc, V, Cr and Mn doped TG. From the defect formation energy study, it has been noticed that all the structures are endothermic in nature. For each case, we have found appreciable amount of magnetic moment. With increasing atomic weight of the dopant atom, the magnitude of the magnetic moment also increases. We have tried to explain this magnetic ordering with the help of spin-polarized partial density of states (PDOS). Controlling spin degrees of freedom is important for building spintronic devices. From that point of view, we hope this study will be useful to build TG based spintronic devices.
Possible Itinerant-Electron Canted Antiferromagnetism in Tetragonal Antiperovskite Cr3AsN
Waki, Takeshi; Takao, Kenta; Tabata, Yoshikazu; Ohta, Hiroto; Yajima, Takeshi; Hiroi, Zenji; Nakamura, Hiroyuki
2017-10-01
We studied the magnetic, transport, and structural properties of the tetragonally distorted antiperovskite nitride Cr3AsN. A ferromagnetic-like increase in magnetic susceptibility below the magnetic transition temperature Tm = 255 K is reported for the first time. This magnetic transition is of the second order and not associated with a structural transition, unlike that in Mn-based antiperovskites. Although the observed spontaneous moment of 0.062 μB/Cr at the lowest temperature is very small, the reduction in the magnetic scattering in resistivity and spontaneous magnetostriction below Tm indicate the existence of a magnetic moment larger than the observed spontaneous magnetization. Zero-field 53Cr and 75As NMR results below Tm reveal the presence of a static moment of ˜0.5 μB at the Cr sites and a hyperfine field lying in the c-plane at the As site. Macroscopic and microscopic observations suggest the incomplete compensation of antiferromagnetically coupled moments. Canted antiferromagnetism is proposed for the itinerant-electron magnet.
Woensdregt, C. F.; Janssen, H. W. M.; Gloubokov, A.; Pajaczkowska, A.
1997-02-01
Tetragonal ABCO 4 compounds, where A Sr, Ca, B rare earth elements and C Ga or Al, are potential substrate candidates for high-frequency superconducting films. The Hartman-Perdok theory (HPT) explains the relation between crystal structure and morphology and provides the atomic surface topology of the crystalline interface. Theoretical growth forms can be constructed from computed attachment energies, Ehkla, which is assumed to be directly proportional to the growth rate for F faces. HPT has been applied to CaYAlO 4 as a model for all ABCO 4 compounds with a K 2NiF 4 crystal structure. F forms are {002}, {101}, {103}, {110}, {112}. {200}, {211} and {213}. The theoretical growth form is planar following {001} with {101} and {110} as lateral forms. At lower effective charges on oxygen, qO, the growth forms are still tabular, but the order of importance of lateral forms changes as function of qO. When the ions on the slice boundaries are ordered, {110} will be absent for the model with the formal charges and replaced by {112} in the case of models with less negative oxygen charges. As-grown crystals show often inhomogeneities in color parallel to the {110} interface. This can be explained by the surface topology of {110}.
Polar instability under electrostatic doping in tetragonal SnTi O3
Ma, Chao; He, Xu; Jin, Kui-juan
2017-07-01
How to make the metallicity compatible with a polar structure for forming a "polar metal" has been an interesting and important topic since the polar structure was discovered in metallic LiOs O3 . Here, we present robust polar instability under electrostatic doping in tetragonal SnTi O3 based on our first-principles calculations. The mechanism for polar distortion surviving free carriers is investigated from the "weak-coupling" perspective. The contributions of different interactions between two polar modes in a "ferroelectric" phase transition are also studied. We found that the short-range interaction contributes the most for lowering the total energy during the ferroelectricphase transition. Moreover, the dipole-dipole interaction between two polar modes of oxygen atoms provides the largest energy gain among local interactions, which cannot be screened out by doping. We propose that the promising candidates for noncentrosymmetric metals obtained by doping are ferroelectrics with bonding states responsible for polar distortions away from the Fermi level. We believe that this mechanism sheds light on a method to obtain noncentrosymmetric metals from a large amount of ferroelectric perovskite oxides by doping.
Dielectric investigations in nanostructured tetragonal BaTiO{sub 3} ceramics
Energy Technology Data Exchange (ETDEWEB)
Silveira, L.G.D.; Alves, M.F.S.; Cótica, L.F. [Departamento de Física, Universidade Estadual de Maringá. Av. Colombo, 5790, Maringá 87020-900, PR (Brazil); Gotardo, R.A.M.; Nascimento, W.J.; Garcia, D.; Eiras, J.A. [Departamento de Física, Universidade Federal de São Carlos. Rod. Washington Luiz, km 235, São Carlos 13565-905, SP (Brazil); Santos, I.A., E-mail: iasantos@dfi.uem.br [Departamento de Física, Universidade Estadual de Maringá. Av. Colombo, 5790, Maringá 87020-900, PR (Brazil)
2013-05-15
Highlights: ► Nanostructured BaTiO{sub 3} ceramics processed by an innovative protocol. ► Dielectric relaxations related to strains and vacancies. ► Dielectric and ferroelectric properties enhanced by strain. - Abstract: In this paper, structural and dielectric properties of BaTiO{sub 3} ceramics obtained under extreme conditions were investigated. The temperature dependent dielectric investigations revealed that the phase transition temperatures of the BaTiO{sub 3} ceramics were raised as a function of residual strains associated to the nanostructuration, while structural characterizations showed a tetragonal arrangement at room temperature. From the frequency dependence analyses of the imaginary parts of dielectric permittivity, impedance and modulus function, three relaxation processes were identified. Two of them exhibit activation energies of 0.45 and 0.63 eV, and were attributed to single and double-ionization of oxygen vacancies. The whole set of results also indicated that the electrons resulting from the ionization of oxygen vacancies are trapped and do not contribute to the electrical conductivity, while the physical properties of the analyzed samples were enhanced by retaining a strained microstructure.
Directory of Open Access Journals (Sweden)
Lamprini Karygianni
2013-12-01
Full Text Available Bacterial adhesion to implant biomaterials constitutes a virulence factor leading to biofilm formation, infection and treatment failure. The aim of this study was to examine the initial bacterial adhesion on different implant materials in vitro. Four implant biomaterials were incubated with Enterococcus faecalis, Staphylococcus aureus and Candida albicans for 2 h: 3 mol % yttria-stabilized tetragonal zirconia polycrystal surface (B1a, B1a with zirconium oxide (ZrO2 coating (B2a, B1a with zirconia-based composite coating (B1b and B1a with zirconia-based composite and ZrO2 coatings (B2b. Bovine enamel slabs (BES served as control. The adherent microorganisms were quantified and visualized using scanning electron microscopy (SEM; DAPI and live/dead staining. The lowest bacterial count of E. faecalis was detected on BES and the highest on B1a. The fewest vital C. albicans strains (42.22% were detected on B2a surfaces, while most E. faecalis and S. aureus strains (approximately 80% were vital overall. Compared to BES; coated and uncoated zirconia substrata exhibited no anti-adhesive properties. Further improvement of the material surface characteristics is essential.
Changes in X-ray photoelectron spectra of yttria-tetragonal zirconia polycrystal by ion sputtering
Energy Technology Data Exchange (ETDEWEB)
Watanabe, Eiko; Yoshinari, Masao [Tokyo Dental College, Oral Health Science Center, Tokyo, Chiyoda-ku (Japan)
2016-04-15
This paper reports changes in X-ray photoelectron spectroscopy spectra of yttria-tetragonal zirconia polycrystal (Y-TZP) brought about by Ar ion sputtering. The changes in the core-level spectra of Y-TZP suggest that preferential sputtering of oxygen occurred. A new peak was observed near 0 eV binding energy accompanied with changes in the core-level spectra by the sputtering. After 18 h in a high vacuum following the sputtering, the spectra changed by the sputtering were returned to their original shapes. In contrast, the color of Y-TZP was changed from white to pale brown by X-ray irradiation and was changed from pale brown to dark gray by ion sputtering. However, when the new peak near 0 eV decreased after 18 h, no color change was observed. Therefore, it is thought that the new peak was mainly derived from electrons trapped in various kinds of oxygen vacancies created by the sputtering in other than color centers. (orig.)
Fast simulation of lattice systems
DEFF Research Database (Denmark)
Bohr, H.; Kaznelson, E.; Hansen, Frank
1983-01-01
models in theoretical physics. A brief discussion is also given of the various mathematical approaches for studying a lattice model. We used the computer on the X - Y model. In an actual QCD program an improved computer of such a kind is designed to be 102 times faster than ordinary machines...
Lattice quantum chromodynamics: Some topics
Indian Academy of Sciences (India)
first principles and (essentially) parameter-free approach is worth emphasizing again in view of the inevitable comparison one makes with the results from other approaches and models. Thus not only does lattice QCD lead us to the phenomenon of quark confinement and spontaneous breaking of chiral symmetry (or why ...
Lattice dynamics of lithium oxide
Indian Academy of Sciences (India)
Li2O finds several important technological applications, as it is used in solid-state batteries, can be used as a blanket breeding material in nuclear fusion reactors, etc. Li2O exhibits a fast ion phase, characterized by a thermally induced dynamic disorder in the anionic sub-lattice of Li+, at elevated temperatures around 1200 ...
From lattice gases to polymers
Frenkel, D.
1990-01-01
The modification of a technique that was developed to study time correlations in lattice-gas cellular automata to facilitate the numerical simulation of chain molecules is described. As an example, the calculation of the excess chemical potential of an ideal polymer in a dense colloidal
Phase strength and super lattices
Indian Academy of Sciences (India)
Unknown
Abstract. Powder XRD investigations on dotriacontane-decane and dotriacontane-decanol mixtures are made. Phase strength, phase separation and formation of superlattices are discussed. The role of tunnel-like defects is considered. Keywords. Hydrocarbons; mixtures; phase strength; tunnel-like defects; super lattices. 1.
Hybrid Charmonium from Lattice QCD
Luo, X Q
2006-01-01
We review our recent results on the JPC = 0¡¡ exotic hybrid charmonium mass and JPC = 0¡+, 1¡¡ and 1++ nonexotic hybrid charmonium spectrum from anisotropic improved lattice QCD and discuss the relevance to the recent discovery of the Y(4260) state and future experimental search for other states.
Disconnected Diagrams in Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Gambhir, Arjun [College of William and Mary, Williamsburg, VA (United States)
2017-08-01
In this work, we present state-of-the-art numerical methods and their applications for computing a particular class of observables using lattice quantum chromodynamics (Lattice QCD), a discretized version of the fundamental theory of quarks and gluons. These observables require calculating so called \\disconnected diagrams" and are important for understanding many aspects of hadron structure, such as the strange content of the proton. We begin by introducing the reader to the key concepts of Lattice QCD and rigorously define the meaning of disconnected diagrams through an example of the Wick contractions of the nucleon. Subsequently, the calculation of observables requiring disconnected diagrams is posed as the computationally challenging problem of finding the trace of the inverse of an incredibly large, sparse matrix. This is followed by a brief primer of numerical sparse matrix techniques that overviews broadly used methods in Lattice QCD and builds the background for the novel algorithm presented in this work. We then introduce singular value deflation as a method to improve convergence of trace estimation and analyze its effects on matrices from a variety of fields, including chemical transport modeling, magnetohydrodynamics, and QCD. Finally, we apply this method to compute observables such as the strange axial charge of the proton and strange sigma terms in light nuclei. The work in this thesis is innovative for four reasons. First, we analyze the effects of deflation with a model that makes qualitative predictions about its effectiveness, taking only the singular value spectrum as input, and compare deflated variance with different types of trace estimator noise. Second, the synergy between probing methods and deflation is investigated both experimentally and theoretically. Third, we use the synergistic combination of deflation and a graph coloring algorithm known as hierarchical probing to conduct a lattice calculation of light disconnected matrix elements
Ran Lim, Ae
2017-11-01
To understand the structural changes with respect to the CH3NH3 groups during the phase transitions in (CH3NH3)2MnCl4, 1H magic-angle spinning nuclear magnetic resonance (MAS NMR) experiments were performed. The two types of protons in CH3NH3 were distinguished by 1H MAS NMR. The 1H chemical shift of NH3 exhibited a larger variation with temperature than that of CH3. The Mn2+ in (CH3NH3)2MnCl4 was bonded to the Cl atom H-bonded to NH3 and was paramagnetic, directly affecting the environment of 1H in NH3. The larger C‒H and shorter N‒H bond lengths in CH3NH3 gave rise to a larger (T1ρ (l)) and shorter (T1ρ (s)) spin-lattice relaxation times of the corresponding proton. The phase transitions were not governed by structural changes in CH3NH3, whereas the ferroelastic domain-wall structures for phases II and III were found to be the main reason for the occurrence of phase transitions.
Fuzzy Soft Sets and Fuzzy Soft Lattices
National Research Council Canada - National Science Library
Shao, Yingchao; Qin, Keyun
2012-01-01
.... In this paper, the notion of fuzzy soft lattice is defined and some related properties are derived, which extends the notion of a fuzzy lattice to include the algebraic structures of soft sets...
Watt, J.P.; Peselnick, L.
1980-01-01
Bounds on the effective elastic moduli of randomly oriented aggregates of hexagonal, trigonal, and tetragonal crystals are derived using the variational principles of Hashin and Shtrikman. The bounds are considerably narrower than the widely used Voigt and Reuss bounds. The Voigt-Reuss-Hill average lies within the Hashin-Shtrikman bounds in nearly all cases. Previous bounds of Peselnick and Meister are shown to be special cases of the present results.
Nagano, Yuta; Kohno, Hideo
2017-11-01
Multiwalled carbon nanotubes with tetragonal cross section frequently form junctions with flattened multi-walled carbon nanotubes, a kind of carbon nanoribbon. The three-dimensional structure of the junctions is revealed by transmission-electron-microscopy-based tomography. Two types of junction, parallel and diagonal, are found. The formation mechanism of these two types of junction is discussed in terms of the origami mechanism that was previously proposed to explain the formation of carbon nanoribbons and nanotetrahedra.
Energy Technology Data Exchange (ETDEWEB)
Iikubo, S; Kodama, K; Takenaka, K; Takagi, H; Shamoto, S, E-mail: iikubo@life.kyutech.ac.jp
2010-11-01
Magnetic and local structures in an antiperovskite system, Mn{sub 3}Cu{sub 1-x}Ge{sub x}N, with a giant negative thermal expansion have been studied by neutron powder diffraction measurement. We discuss (1) an importance of an averaged cubic crystal structure and a {Gamma}G{sup 5g} antiferromagnetic spin structure for the large magneto-volume effect (MVE) in this itinerant electron system, (2) an unique role of a local lattice distortion well described by the low temperature tetragonal structure of Mn{sub 3}GeN for the broadening of MVE.
Pressure-induced change of the electronic state in the tetragonal phase of CaFe2As2
Sakaguchi, Yui; Ikeda, Shugo; Kuse, Tetsuji; Kobayashi, Hisao
2014-07-01
We have investigated the electronic states of single-crystal CaFe2As2 under hydrostatic pressure using 57Fe Mössbauer spectroscopy and magnetization measurements. The center shift and the quadrupole splitting were refined from observed 57Fe Mössbauer spectra using the single-crystalline sample under pressure at room temperature. A discontinuous decrease in the pressure dependence of the refined center shift was observed at 0.33 GPa without any anomaly in the pressure dependence of the refined quadrupole splitting, indicating a purely electronic state change in CaFe2As2 with a tetragonal structure. Such a change is shown to be reflected in the peak-like anomalies observed in the pressure dependences of the magnetic susceptibility at 0.26 GPa above 150 K. Our results reveal that this pressure-induced electronic state change suppresses the tetragonal-to-orthorhombic structural phase transition accompanied by an antiferromagnetic ordering. We further observed superconductivity in CaFe2As2 below ˜8 K around 0.33 GPa although our sample was not in a single phase at this pressure. These findings suggest that the electronic state change observed in CaFe2As2 with the tetragonal structure is relevant to the appearance of the pressure-induced superconductivity in AFe2As2.
Directory of Open Access Journals (Sweden)
Jinhui Li
2017-12-01
Full Text Available In order to synthesize of high-dispersion and tetragonal BaTiO3 (BT nanoparticle, a hydrothermal method is used in a mixture of chloride metal sources and KOH with polyvinylpyrrolidone (PVP. The properties of BT–PVPs prepared by different reaction temperature and time are investigated via XRD, FE-SEM, DLS, FT-IR, and TEM to clarify the changes of the crystal phase, dispersion, and particle structure. The reaction is finished at 230 °C for 24 h and the critical reaction condition for that the crystal phase of the obtained BT particle changed from the cubic to the tetragonal is found to be 190 °C fixed in reaction time 24 h, and 9 h. During reaction the PVP on the BT surface decomposed to different form, and the PVP plays the role of dispersant in aqueous solution. By the hydrothermal condition of 230 °C for 24 h almost monodisperse BT–PVP with sizes of 83 nm and tetragonality (c/a of 1.0062 were synthesized. The structure of nanoparticle, core (BT–shell (PVP was investigated by FT-IR and direct observed by TEM and the mechanism of particle growth and dispersion was discussed.
Lattice dynamics of ferromagnetic superconductor UGe2
Indian Academy of Sciences (India)
This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory based ... the phonon spectrum by using BvK lattice dynamical model with ad hoc force constants. However, they did .... [9] J C Marmeggi, R Currat, A Bouvet and G H Londa, Physica B263, 624 (1999). [10] G Oomi, T Kagayama, ...
Lattice QCD. A critical status report
Energy Technology Data Exchange (ETDEWEB)
Jansen, Karl
2008-10-15
The substantial progress that has been achieved in lattice QCD in the last years is pointed out. I compare the simulation cost and systematic effects of several lattice QCD formulations and discuss a number of topics such as lattice spacing scaling, applications of chiral perturbation theory, non-perturbative renormalization and finite volume effects. Additionally, the importance of demonstrating universality is emphasized. (orig.)
Lattice Green's functions in all dimensions
Guttmann, Anthony J.
2010-07-01
We give a systematic treatment of lattice Green's functions (LGF) on the d-dimensional diamond, simple cubic, body-centred cubic and face-centred cubic lattices for arbitrary dimensionality d >= 2 for the first three lattices, and for 2 Ramanujan-type formulae for 1/π.
The Developement of A Lattice Structured Database
DEFF Research Database (Denmark)
Bruun, Hans
to a given set of inserted terms, that is the smallest lattice where the inserted terms preserve their value compared to the value in the initial algebra/lattice. The database is the dual representation of this most disjoint lattice. We develop algorithms to construct and make queries to the database....
Clar sextets in square graphene antidot lattices
DEFF Research Database (Denmark)
Petersen, Rene; Pedersen, Thomas Garm; Jauho, Antti-Pekka
2011-01-01
A periodic array of holes transforms graphene from a semimetal into a semiconductor with a band gap tuneable by varying the parameters of the lattice. In earlier work only hexagonal lattices have been treated. Using atomistic models we here investigate the size of the band gap of a square lattice...
Akdogan, E. K.; Safari, A.
2007-03-01
We propose a phenomenological intrinsic finite-size effect model for single domain, mechanically free, and surface charge compensated ΔG-P ⃗s-ξ space, which describes the decrease in tetragonal phase stability with decreasing ξ rigorously.
Crystallization behavior of tetragonal ZrO{sub 2} prepared in a silica bath
Energy Technology Data Exchange (ETDEWEB)
Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Huang, Hung-Jui [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China)
2013-09-10
Highlights: ► The activation energy of t-ZrO{sub 2} crystallization calculated by the JMA equation is 643.0 ± 13.9 kJ·mol{sup −1}. ► The growth morphology parameter (n) and crystallization mechanism index (m) are approximated as 3.0. ► Bulk nucleation is dominant in the t-ZrO{sub 2} crystallization process, and has a spherical-like morphology. ► The TEM microstructure reveals that the t-ZrO{sub 2} crystallites have a spherical-like morphology. - Abstract: The synthesis of zirconia (ZrO{sub 2}) precursor powders by a co-precipitation process is studied in this work, using a silica bath prepared at 348 K and pH = 7, with 10 min mixing using zirconium (IV) nitrate and tetraethylorthosilicate (TEOS, Si(OC{sub 2}H{sub 5}){sub 4}) as the starting materials. The XRD result show that only a single phase of tetragonal ZrO{sub 2} (t-ZrO{sub 2}) appears when the freeze dried precursor powders are calcined between 1173 and 1473 K for 120 min. The activation energy of t-ZrO{sub 2} crystallization, as calculated by the Johnson–Mehl–Avrami (JMA) equation, is 643.0 ± 13.9 kJ/mol. The growth morphology parameter (n) and crystallization mechanism index (m) are approximated as 3.0, which indicates that bulk nucleation is dominant in the t-ZrO{sub 2} crystallization process, and that the material has a plate-like morphology.
Growth, structure and lattice dynamics of rare earth silicide nanostructures
Energy Technology Data Exchange (ETDEWEB)
Seiler, Anja
2015-07-13
characterized by in situ and ex situ diffraction techniques revealing the tetragonal I4{sub 1}/amd crystal structure for both films and nanoislands at both growth temperatures, while the surface morphology changes significantly depending on the growth temperature. The thermal stability study performed by in situ high temperature GISAXS experiments demonstrated that EuSi{sub 2} nanoislands break down upon annealing at 1050 C due to silicide decomposition followed by desorption of Eu atoms from the Si(001) surface. In contrast, DySi{sub 2} nanoislands increase their sizes upon annealing at 1050 C due to Ostwald ripening. The DySi{sub 2} nanowires are shrinking drastically because they only stabilize in a narrow temperature range. For the first time the lattice dynamics of EuSi{sub 2} and DySi{sub 2} was studied applying in situ nuclear inelastic scattering and ab initio theory. The phonon DOS was obtained and the related thermodynamic and elastic properties were calculated. A significant change of the phonon density of states upon the transition from bulk-like films to nanoislands and nanowires has been observed. With decreasing the sizes of the nanostructures properties like vibrational amplitude, vibrational entropy and the lattice specific heat are drastically increased, while the mean force constant is decreased. All values received from the experiments are in very good agreement with the values from the ab initio calculations for the EuSi{sub 2} system, while the calculations for the DySi{sub 2} system are still in progress.
Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets
Energy Technology Data Exchange (ETDEWEB)
Antao, Sytle M.; Cruickshank, Laura A.
2018-01-30
Cubic garnet (space group Ia\\overline 3 d) has the general formula
The Fermilab Lattice Information Repository
Ostiguy, Jean-Francois; McCusker-Whiting, Michele; Michelotti, Leo
2005-01-01
Fermilab is a large accelerator complex with six rings and sixteen transfer beamlines operating in various modes and configurations, subject to modifications, improvements and occasional major redesign. Over the years, it became increasingly obvious that a centralized lattice repository with the ability to track revisions would be of great value. To that end, we evaluated potentially suitable revision systems, either freely available or commercial, and decided that expecting infrequent users to become fully conversant with complex revision system software was neither realistic nor practical. In this paper, we discuss technical aspects of the recently introduced FNAL Accelerator Division's Lattice Repository, whose fully web-based interface hides the complexity of Subversion, a comprehensive open source revision system. In particular we emphasize how the architecture of Subversion was a key ingredient in the technical success of the repository's implementation.
Shear Viscosity from Lattice QCD
Mages, Simon W; Fodor, Zoltán; Schäfer, Andreas; Szabó, Kálmán
2015-01-01
Understanding of the transport properties of the the quark-gluon plasma is becoming increasingly important to describe current measurements at heavy ion collisions. This work reports on recent efforts to determine the shear viscosity h in the deconfined phase from lattice QCD. The main focus is on the integration of the Wilson flow in the analysis to get a better handle on the infrared behaviour of the spectral function which is relevant for transport. It is carried out at finite Wilson flow time, which eliminates the dependence on the lattice spacing. Eventually, a new continuum limit has to be carried out which sends the new regulator introduced by finite flow time to zero. Also the non-perturbative renormalization strategy applied for the energy momentum tensor is discussed. At the end some quenched results for temperatures up to 4 : 5 T c are presented
Active particles in periodic lattices
Chamolly, Alexander; Ishikawa, Takuji; Lauga, Eric
2017-11-01
Both natural and artificial small-scale swimmers may often self-propel in environments subject to complex geometrical constraints. While most past theoretical work on low-Reynolds number locomotion addressed idealised geometrical situations, not much is known on the motion of swimmers in heterogeneous environments. As a first theoretical model, we investigate numerically the behaviour of a single spherical micro-swimmer located in an infinite, periodic body-centred cubic lattice consisting of rigid inert spheres of the same size as the swimmer. Running a large number of simulations we uncover the phase diagram of possible trajectories as a function of the strength of the swimming actuation and the packing density of the lattice. We then use hydrodynamic theory to rationalise our computational results and show in particular how the far-field nature of the swimmer (pusher versus puller) governs even the behaviour at high volume fractions.
Graphene antidot lattice transport measurements
DEFF Research Database (Denmark)
Mackenzie, David; Cagliani, Alberto; Gammelgaard, Lene
2017-01-01
We investigate graphene devices patterned with a narrow band of holes perpendicular to the current flow, a few-row graphene antidot lattice (FR-GAL). Theoretical reports suggest that a FR-GAL can have a bandgap with a relatively small reduction of the transmission compared to what is typical...... for antidot arrays devices. Graphene devices were fabricated using 100 keV electron beam lithography (EBL) for nanopatterning as well as for defining electrical contacts. Patterns with hole diameter and neck widths of order 30 nm were produced, which is the highest reported pattern density of antidot lattices...... in graphene reported defined by EBL. Electrical measurements showed that devices with one and five rows exhibited field effect mobility of ∼100 cm2/Vs, while a larger number of rows, around 40, led to a significant reduction of field effect mobility (
Innovations in Lattice QCD Algorithms
Energy Technology Data Exchange (ETDEWEB)
Konstantinos Orginos
2006-06-25
Lattice QCD calculations demand a substantial amount of computing power in order to achieve the high precision results needed to better understand the nature of strong interactions, assist experiment to discover new physics, and predict the behavior of a diverse set of physical systems ranging from the proton itself to astrophysical objects such as neutron stars. However, computer power alone is clearly not enough to tackle the calculations we need to be doing today. A steady stream of recent algorithmic developments has made an important impact on the kinds of calculations we can currently perform. In this talk I am reviewing these algorithms and their impact on the nature of lattice QCD calculations performed today.
Lattice engineering technology and applications
Wang, Shumin
2012-01-01
This book contains comprehensive reviews of different technologies to harness lattice mismatch in semiconductor heterostructures and their applications in electronic and optoelectronic devices. While the book is a bit focused on metamorphic epitaxial growth, it also includes other methods like compliant substrate, selective area growth, wafer bonding and heterostructure nanowires etc. Basic knowledge on dislocations in semiconductors and innovative methods to eliminate threading dislocations are provided, and successful device applications are reviewed. It covers a variety of important semicon
Baryon Interactions from Lattice QCD
Aoki, Sinya
2010-01-01
We report on new attempt to investigate baryon-baryon interactions in lattice QCD. From the Bethe-Salpeter (BS) wave function, we have successfully extracted the nucleon-nucleon ($NN$) potentials in quenched QCD simulations, which reproduce qualitative features of modern $NN$ potentials. The method has been extended to obtain the tensor potential as well as the central potential and also applied to the hyperon-nucleon ($YN$) interactions, in both quenched and full QCD.
Energy Technology Data Exchange (ETDEWEB)
Sommer, Rainer [DESY, Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC
2014-02-15
The principles of scale setting in lattice QCD as well as the advantages and disadvantages of various commonly used scales are discussed. After listing criteria for good scales, I concentrate on the main presently used ones with an emphasis on scales derived from the Yang-Mills gradient flow. For these I discuss discretisation errors, statistical precision and mass effects. A short review on numerical results also brings me to an unpleasant disagreement which remains to be explained.
Quantum Entanglement in Fermionic Lattices
Zanardi, P.
2001-01-01
The Fock space of a system of indistinguishable particles is isomorphic (in a non-unique way) to the state-space of a composite i.e., many-modes, quantum system. One can then discuss quantum entanglement for fermionic as well as bosonic systems. We exemplify the use of this notion -central in quantum information - by studying some e.g., Hubbard,lattice fermionic models relevant to condensed matter physics.
Screening in graphene antidot lattices
DEFF Research Database (Denmark)
Schultz, Marco Haller; Jauho, A. P.; Pedersen, T. G.
2011-01-01
We compute the dynamical polarization function for a graphene antidot lattice in the random-phase approximation. The computed polarization functions display a much more complicated structure than what is found for pristine graphene (even when evaluated beyond the Dirac-cone approximation...... the plasmon dispersion law and find an approximate square-root dependence with a suppressed plasmon frequency as compared to doped graphene. The plasmon dispersion is nearly isotropic and the developed approximation schemes agree well with the full calculation....
Spin qubits in antidot lattices
DEFF Research Database (Denmark)
Pedersen, Jesper Goor; Flindt, Christian; Mortensen, Niels Asger
2008-01-01
We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure...... electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins....
Spin lattices of walking droplets
Saenz, Pedro; Pucci, Giuseppe; Goujon, Alexis; Dunkel, Jorn; Bush, John
2017-11-01
We present the results of an experimental investigation of the spontaneous emergence of collective behavior in spin lattice of droplets walking on a vibrating fluid bath. The bottom topography consists of relatively deep circular wells that encourage the walking droplets to follow circular trajectories centered at the lattice sites, in one direction or the other. Wave-mediated interactions between neighboring drops are enabled through a thin fluid layer between the wells. The sense of rotation of the walking droplets may thus become globally coupled. When the coupling is sufficiently strong, interactions with neighboring droplets may result in switches in spin that lead to preferred global arrangements, including correlated (all drops rotating in the same direction) or anti-correlated (neighboring drops rotating in opposite directions) states. Analogies with ferromagnetism and anti-ferromagnetism are drawn. Different spatial arrangements are presented in 1D and 2D lattices to illustrate the effects of topological frustration. This work was supported by the US National Science Foundation through Grants CMMI-1333242 and DMS-1614043.
Schefer, J; Böhm, M; Ouladdiaf, B; Petrakovskii, G A; Staub, U
2002-01-01
The spontaneous formation of a magnetic soliton lattice in copper metaborate, CuB sub 2 O sub 4 , is also stable at a temperature of 4.2 K in the presence of an external magnetic field up to 1.3 T applied along the tetragonal [110] direction similar to the undisturbed case, where it is stable up to a temperature of 10 K. Increasing the external magnetic field induces a phase transition from the incommensurate to the commensurate structure similar to increasing the temperature at zero field as reported earlier. The formation of domain walls (solitons) can therefore be associated with combined effects of Dzyaloshinskii interaction and anisotropy. The T/H phase diagrams show a coexistence region of commensurate and incommensurate phases, in agreement with the theory of a soliton lattice at fields up to 1.3 T. (orig.)
Kim, Su Yeon; Jeong, Jong Seok; Mkhoyan, K Andre; Jang, Ho Seong
2016-05-21
Highly efficient downconversion (DC) green-emitting LiYF4:Ce,Tb nanophosphors have been synthesized for bright dual-mode upconversion (UC) and DC green-emitting core/double-shell (C/D-S) nanophosphors-Li(Gd,Y)F4:Yb(18%),Er(2%)/LiYF4:Ce(15%),Tb(15%)/LiYF4-and the C/D-S structure has been proved by extensive scanning transmission electron microscopy (STEM) analysis. Colloidal LiYF4:Ce,Tb nanophosphors with a tetragonal bipyramidal shape are synthesized for the first time and they show intense DC green light via energy transfer from Ce(3+) to Tb(3+) under illumination with ultraviolet (UV) light. The LiYF4:Ce,Tb nanophosphors show 65 times higher photoluminescence intensity than LiYF4:Tb nanophosphors under illumination with UV light and the LiYF4:Ce,Tb is adapted into a luminescent shell of the tetragonal bipyramidal C/D-S nanophosphors. The formation of the DC shell on the core significantly enhances UC luminescence from the UC core under irradiation of near infrared light and concurrently generates DC luminescence from the core/shell nanophosphors under UV light. Coating with an inert inorganic shell further enhances the UC-DC dual-mode luminescence by suppressing the surface quenching effect. The C/D-S nanophosphors show 3.8% UC quantum efficiency (QE) at 239 W cm(-2) and 73.0 ± 0.1% DC QE. The designed C/D-S architecture in tetragonal bipyramidal nanophosphors is rigorously verified by an energy dispersive X-ray spectroscopy (EDX) analysis, with the assistance of line profile simulation, using an aberration-corrected scanning transmission electron microscope equipped with a high-efficiency EDX. The feasibility of these C/D-S nanophosphors for transparent display devices is also considered.
Fractional random walk lattice dynamics
Michelitsch, T. M.; Collet, B. A.; Riascos, A. P.; Nowakowski, A. F.; Nicolleau, F. C. G. A.
2017-02-01
We analyze time-discrete and time-continuous ‘fractional’ random walks on undirected regular networks with special focus on cubic periodic lattices in n = 1, 2, 3,.. dimensions. The fractional random walk dynamics is governed by a master equation involving fractional powers of Laplacian matrices {{L}\\fracα{2}}} where α =2 recovers the normal walk. First we demonstrate that the interval 0<α ≤slant 2 is admissible for the fractional random walk. We derive analytical expressions for the transition matrix of the fractional random walk and closely related the average return probabilities. We further obtain the fundamental matrix {{Z}(α )} , and the mean relaxation time (Kemeny constant) for the fractional random walk. The representation for the fundamental matrix {{Z}(α )} relates fractional random walks with normal random walks. We show that the matrix elements of the transition matrix of the fractional random walk exihibit for large cubic n-dimensional lattices a power law decay of an n-dimensional infinite space Riesz fractional derivative type indicating emergence of Lévy flights. As a further footprint of Lévy flights in the n-dimensional space, the transition matrix and return probabilities of the fractional random walk are dominated for large times t by slowly relaxing long-wave modes leading to a characteristic {{t}-\\frac{n{α}} -decay. It can be concluded that, due to long range moves of fractional random walk, a small world property is emerging increasing the efficiency to explore the lattice when instead of a normal random walk a fractional random walk is chosen.
Beautiful baryons from lattice QCD
Alexandrou, C; Güsken, S; Jegerlehner, F; Schilling, K; Siegert, G; Sommer, Rainer
1994-01-01
We perform a lattice study of heavy baryons, containing one (\\Lambda_b) or two b-quarks (\\Xi_b). Using the quenched approximation we obtain for the mass of \\Lambda_b M_{\\Lambda_b}= 5.728 \\pm 0.144 \\pm 0.018 {\\rm GeV}. The mass splitting between the \\Lambda_b and the B-meson is found to increase by about 20\\% if the light quark mass is varied from the chiral limit to the strange quark mass. ------- Figures obtained upon request from borrelli@psiclu.cern.ch.
Solitary waves on tensegrity lattices
Fraternali, F.; Senatore, L.; Daraio, C.
2012-06-01
We study the dynamics of lattices formed by masses connected through tensegrity prisms. By employing analytic and numerical arguments, we show that such structures support two limit dynamic regimes controlled by the prisms' properties: (i) in the low-energy (sonic) regime the system supports the formation and propagation of solitary waves which exhibit sech2 shape and (ii) in the high-energy (ultrasonic) regime the system supports atomic-scale localization. Such peculiar features found in periodic arrays of tensegrity structures suggest their use for the creation of new composite materials (here called "tensegrity materials") of potential interest for applications in impact absorption, energy localization and in new acoustic devices.
Atomic resolution imaging of precipitate transformation from cubic TaN to tetragonal CrTaN
DEFF Research Database (Denmark)
Danielsen, Hilmar Kjartansson; Hald, John; Somers, Marcel A. J.
2012-01-01
In 9–12% Cr creep-resistant steels Cr(V,Nb,Ta)N Z-phase is known to replace metastable (V,Nb,Ta)N MN precipitates at high temperatures. The precipitation process of Z-phase does not follow the classical nucleation theory, where dissolving MN particles provide constituents for Z-phase nucleation...... in the matrix. Using atomic resolution transmission electron microscopy, the current work demonstrates that metastable cubic TaN precipitates in a complex steel gradually transform compositionally and crystallographically into stable tetragonal CrTaN precipitates under the influence of Cr indiffusion from...... the steel matrix....
Energy Technology Data Exchange (ETDEWEB)
Swab, J.J.; Katz, R.N.; Starita, C.J. (Army Materials Technology Lab., Watertown, MA (USA))
1988-05-01
The hot isostatic pressing of an yttria-tetragonal zirconia polycrystal (Y-TZP) powder yields a body that is slightly reduced. Stepped-temperature stress-rupture tests revealed that a hot isostatically pressed Y-TZP has anomalous time-dependent failure behavior through the temperature range 800{degree} to 1,200{degree}C. However, this anomaly can effectively be eliminated, and the stress-rupture performance significantly improved, by oxidizing the pressed body at 1,000{degree}C before use.
Tetragonal-to-orthorhombic structural phase transition at 90 K in the superconductor Fe(1.01)Se.
McQueen, T M; Williams, A J; Stephens, P W; Tao, J; Zhu, Y; Ksenofontov, V; Casper, F; Felser, C; Cava, R J
2009-07-31
In this Letter we show that superconducting Fe(1.01)Se undergoes a structural transition at 90 K from a tetragonal to an orthorhombic phase but that nonsuperconducting Fe(1.03)Se does not. High resolution electron microscopy at low temperatures further reveals an unexpected additional modulation of the crystal structure of the superconducting phase that involves displacements of the Fe atoms, and that the nonsuperconducting composition shows a different, complex nanometer-scale structural modulation. Finally, we show that magnetism is not the driving force for the phase transition in the superconducting phase.
Tetragonal-to-Orthorhombic Structural Phase Transition at 90K in the Superconductor for Fe 1.01Se
Energy Technology Data Exchange (ETDEWEB)
McQueen, T.; Williams, A; Stephens, P; Tao, J; Zhu, Y; Ksenofontov, V; Casper, F; Felser, C; Cava, R
2009-01-01
In this Letter we show that superconducting Fe1.01Se undergoes a structural transition at 90 K from a tetragonal to an orthorhombic phase but that nonsuperconducting Fe1.03Se does not. High resolution electron microscopy at low temperatures further reveals an unexpected additional modulation of the crystal structure of the superconducting phase that involves displacements of the Fe atoms, and that the nonsuperconducting composition shows a different, complex nanometer-scale structural modulation. Finally, we show that magnetism is not the driving force for the phase transition in the superconducting phase.
Tetragonal-to-Orthorhombic Structural Phase Transition at 90Kin the Superconductor Fe1:01Se
Energy Technology Data Exchange (ETDEWEB)
McQueen, T.M.; Tao, J.; Williams, A.J.; Stephens, P.W.; Zhu, Y.; Ksenofontov, V.; Casper, F.; 4 C.; Cava, R.J.
2009-07-30
In this Letter we show that superconducting Fe{sub 1.01}Se undergoes a structural transition at 90 K from a tetragonal to an orthorhombic phase but that nonsuperconducting Fe{sub 1.03}Se does not. High resolution electron microscopy at low temperatures further reveals an unexpected additional modulation of the crystal structure of the superconducting phase that involves displacements of the Fe atoms, and that the nonsuperconducting composition shows a different, complex nanometer-scale structural modulation. Finally, we show that magnetism is not the driving force for the phase transition in the superconducting phase.
The role of orbital ordering in the tetragonal-to-cubic phase transition in CuCr 2O 4
Kennedy, Brendan J.; Zhou, Qingdi
2008-09-01
Copper(II) chromite (CuCr 2O 4) undergoes a first-order structural transition from a tetragonal distorted spinel structure in space group ( I4 1/ amd) to a cubic spinel structure in Fd3¯ m, near 600 °C. The transition has been followed using synchrotron X-ray powder diffraction between room temperature and 750 °C. The structure changes as a consequence of a transition from an orbitally ordered to orbital disordered state associated with a Jahn-Teller-type distortion of the CuO 4 tetrahedron. The orbital melting results in a small increase in cell volume.
Working Group Report: Lattice Field Theory
Energy Technology Data Exchange (ETDEWEB)
Blum, T.; et al.,
2013-10-22
This is the report of the Computing Frontier working group on Lattice Field Theory prepared for the proceedings of the 2013 Community Summer Study ("Snowmass"). We present the future computing needs and plans of the U.S. lattice gauge theory community and argue that continued support of the U.S. (and worldwide) lattice-QCD effort is essential to fully capitalize on the enormous investment in the high-energy physics experimental program. We first summarize the dramatic progress of numerical lattice-QCD simulations in the past decade, with some emphasis on calculations carried out under the auspices of the U.S. Lattice-QCD Collaboration, and describe a broad program of lattice-QCD calculations that will be relevant for future experiments at the intensity and energy frontiers. We then present details of the computational hardware and software resources needed to undertake these calculations.
The Gluon Propagator without lattice Gribov copies
Alexandrou, C; Follana, E; Forcrand, Ph. de
2001-01-01
We study the gluon propagator on the lattice using the Laplacian gauge which is free of lattice Gribov copies. We compare our results with those obtained in the Landau gauge on the lattice, as well as with various approximate solutions of the Dyson Schwinger equations. We find a finite value $\\sim (250 \\rm{MeV})^{-2}$ for the zero-momentum propagator, and a pole mass $\\sim 640 \\pm 110$ MeV.
Experimental generation of optical coherence lattices
Energy Technology Data Exchange (ETDEWEB)
Chen, Yahong; Cai, Yangjian, E-mail: serpo@dal.ca, E-mail: yangjiancai@suda.edu.cn [College of Physics, Optoelectronics and Energy and Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006 (China); Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province and Key Lab of Modern Optical Technologies of Education Ministry of China, Soochow University, Suzhou 215006 (China); Ponomarenko, Sergey A., E-mail: serpo@dal.ca, E-mail: yangjiancai@suda.edu.cn [Department of Electrical and Computer Engineering, Dalhousie University, Halifax, Nova Scotia B3J 2X4 (Canada)
2016-08-08
We report experimental generation and measurement of recently introduced optical coherence lattices. The presented optical coherence lattice realization technique hinges on a superposition of mutually uncorrelated partially coherent Schell-model beams with tailored coherence properties. We show theoretically that information can be encoded into and, in principle, recovered from the lattice degree of coherence. Our results can find applications to image transmission and optical encryption.
Hadron structure from lattice QCD
Constantinou, Martha
2017-09-01
More than 99 per cent of the mass of the visible world resides in hadrons which are bound states of quarks and gluons, the fundamental constituents of Quantum Chromodynamics (QCD). The proton is at the heart of the hadronic matter and is an ideal laboratory for studying the QCD dynamics. Lattice QCD (LQCD) is a powerful non-perturbative tool for the ab inition calculation of hadron observables that are well determined experimentally, or not easily accessible in experiment. Progress in the simulation of LQCD has been impressive, mainly due to improvements in the algorithms, development of new techniques and increase in computational power, that have enabled simulations to be carried out at parameters very close to their physical values. In this talk I will present recent developments in hadron structure focusing on achievements in the evaluation of nucleon quantities, such as the nucleon charges, form factors, and gluonic contributions, in view of simulations close or at the physical value of the pion mass. I will also discuss the enormous efforts towards a new direct approach to compute quark parton distributions functions on the lattice. Work partly supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, within the framework of the TMD Topical Collaboration.
Energy Technology Data Exchange (ETDEWEB)
Loan Mushtaq [International School, Jinan University, Huangpu Road West, Guangzhou 510632 (China)], E-mail: mushe@phys.unsw.edu.au; Luo Zhihuan [Department of Applied Physics, South China Agricultural University, Wushan Road, Guangzhou 510642 (China); Lam Yuyiu [Department of Physics, Jinan University, Huangpu Road West, Guangzhou 510632 (China)
2009-10-11
We present a search for the possible I(J{sup P})=0(2{sup +}) tetraquark state with sss-bar s-bar quark content in quenched improved anisotropic lattice QCD. Using various local and non-local interpolating fields we determine the energies of ground-state and second ground state using variational method. The state is found to be consistent with two-particle scattering state, which is checked to exhibit the expected volume dependence of the spectral weights. In the physical limit, we obtain for the ground state, a mass of 2123(33)(58) MeV which is higher than the mass of experimentally observed f(2010). The lattice resonance signal obtained in the physical region does not support a localized J{sup P}=2{sup +} tetraquark state in the pion mass region of 300-800 MeV. We conclude that the 4q system in question appears as a two-particle scattering state in the quark mass region explored here.
Loan, Mushtaq; Lam, Yu Yiu
2009-01-01
We present a search for the possible $I(J^{P})=0(2^{+})$ tetraquark state with $ss{\\bar s}{\\bar s}$ quark content in quenched improved anisotropic lattice QCD. Using various local and non-local interpolating fields we determine the energies of ground-state and second ground state using variational method. The state is found to be consistent with two-particle scattering state, which is checked to exhibit the expected volume dependence of the spectral weights. In the physical limit, we obtain for the ground state, a mass of $2123(33)(58)$ MeV which is higher than the mass of experimentally observed $f(2010)$. The lattice resonance signal obtained in the physical region does not support a localized $J^{P} =2^{+}$ tetraquark state in the pion mass region of $300 - 800$ MeV. We conclude that the $4q$ system in question appears as a two-particle scattering state in the quark mass region explored here.
Introduction to Vortex Lattice Theory
Directory of Open Access Journals (Sweden)
Santiago Pinzón
2015-10-01
Full Text Available Panel methods have been widely used in industry and are well established since the 1970s for aerodynamic analysis and computation. The Vortex Lattice Panel Method presented in this study comes across a sophisticated method that provides a quick solution time, allows rapid changes in geometry and suits well for aerodynamic analysis. The aerospace industry is highly competitive in design efficiency, and perhaps one of the most important factors on airplane design and engineering today is multidisciplinary optimization. Any cost reduction method in the design cycle of a product becomes vital in the success of its outcome. The subsequent sections of this article will further explain in depth the theory behind the vortex lattice method, and the reason behind its selection as the method for aerodynamic analysis during preliminary design work and computation within the aerospace industry. This article is analytic in nature, and its main objective is to present a mathematical summary of this widely used computational method in aerodynamics.
Transmission Electron Microscope Measures Lattice Parameters
Pike, William T.
1996-01-01
Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.
Persistent superconductor currents in holographic lattices.
Iizuka, Norihiro; Ishibashi, Akihiro; Maeda, Kengo
2014-07-04
We consider a persistent superconductor current along the direction with no translational symmetry in a holographic gravity model. Incorporating a lattice structure into the model, we numerically construct novel solutions of hairy charged stationary black branes with momentum or rotation along the latticed direction. The lattice structure prevents the horizon from rotating, and the total momentum is only carried by matter fields outside the black brane horizon. This is consistent with the black hole rigidity theorem, and it suggests that in dual field theory with lattices, superconductor currents are made up of "composite" fields, rather than "fractionalized" degrees of freedom. We also show that our solutions are consistent with the superfluid hydrodynamics.
Holographic Lattices Give the Graviton a Mass
Blake, Mike; Vegh, David
2014-01-01
We discuss the DC conductivity of holographic theories with translational invariance broken by a background lattice. We show that the presence of the lattice induces an effective mass for the graviton via a gravitational version of the Higgs mechanism. This allows us to obtain, at leading order in the lattice strength, an analytic expression for the DC conductivity in terms of the size of the lattice at the horizon. In locally critical theories this leads to a power law resistivity that is in agreement with an earlier field theory analysis of Hartnoll and Hofman.
Lattice theory special topics and applications
Wehrung, Friedrich
George Grätzer's Lattice Theory: Foundation is his third book on lattice theory (General Lattice Theory, 1978, second edition, 1998). In 2009, Grätzer considered updating the second edition to reflect some exciting and deep developments. He soon realized that to lay the foundation, to survey the contemporary field, to pose research problems, would require more than one volume and more than one person. So Lattice Theory: Foundation provided the foundation. Now we complete this project with Lattice Theory: Special Topics and Applications, written by a distinguished group of experts, to cover some of the vast areas not in Foundation. This first volume is divided into three parts. Part I. Topology and Lattices includes two chapters by Klaus Keimel, Jimmie Lawson and Ales Pultr, Jiri Sichler. Part II. Special Classes of Finite Lattices comprises four chapters by Gabor Czedli, George Grätzer and Joseph P. S. Kung. Part III. Congruence Lattices of Infinite Lattices and Beyond includes four chapters by Friedrich W...
Polarization response of RHIC electron lens lattices
Directory of Open Access Journals (Sweden)
V. H. Ranjbar
2016-10-01
Full Text Available Depolarization response for a system of two orthogonal snakes at irrational tunes is studied in depth using lattice independent spin integration. In particular we consider the effect of overlapping spin resonances in this system, to understand the impact of phase, tune, relative location and threshold strengths of the spin resonances. These results are benchmarked and compared to two dimensional direct tracking results for the RHIC e-lens lattice and the standard lattice. Finally we consider the effect of longitudinal motion via chromatic scans using direct six dimensional lattice tracking.
Hoque, Md Nadim Ferdous; Islam, Nazifah; Li, Zhen; Ren, Guofeng; Zhu, Kai; Fan, Zhaoyang
2016-09-22
Practical hybrid perovskite solar cells (PSCs) must endure temperatures above the tetragonal-cubic structural phase transition of methylammonium lead iodide (MAPbI3 ). However, the ionic and optical properties of MAPbI3 in such a temperature range, and particularly, dramatic changes in these properties resulting from a structural phase transition, are not well studied. Herein, we report a striking contrast at approximately 45 °C in the ionic/electrical properties of MAPbI3 owing to a change of the ion activation energy from 0.7 to 0.5 eV, whereas the optical properties exhibit no particular transition except for the steady increase of the bandgap with temperature. These observations can be explained by the "continuous" nature of perovskite phase transition. We speculate that the critical temperature at which the ionic/electrical properties change, although related to crystal symmetry variation, is not necessarily the same temperature as when tetragonal-cubic structural phase transition occurs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Energy Technology Data Exchange (ETDEWEB)
Hoque, Md Nadim Ferdous [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA; Islam, Nazifah [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA; Li, Zhen [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden Colorado 80401 USA; Ren, Guofeng [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA; Zhu, Kai [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden Colorado 80401 USA; Fan, Zhaoyang [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA
2016-09-01
Practical hybrid perovskite solar cells (PSCs) must endure temperatures above the tetragonal-cubic structural phase transition of methylammonium lead iodide (MAPbI3). However, the ionic and optical properties of MAPbI3 in such a temperature range, and particularly, dramatic changes in these properties resulting from a structural phase transition, are not well studied. Herein, we report a striking contrast at approximately 45 degrees C in the ionic/electrical properties of MAPbl3 owing to a change of the ion activation energy from 0.7 to 0.5 eV, whereas the optical properties exhibit no particular transition except for the steady increase of the bandgap with temperature. These observations can be explained by the 'continuous' nature of perovskite phase transition. We speculate that the critical temperature at which the ionic/electrical properties change, although related to crystal symmetry variation, is not necessarily the same temperature as when tetragonal-cubic structural phase transition occurs.
Bae, Jae-Yoon; Park, Jozeph; Kim, Hyun You; Kim, Hyun-Suk; Park, Jin-Seong
2015-06-10
Two types of tin dioxide (SnO2) films were grown by mist chemical vapor deposition (Mist-CVD), and their electrical properties were studied. A tetragonal phase is obtained when methanol is used as the solvent, while an orthorhombic structure is formed with acetone. The two phases of SnO2 exhibit different electrical properties. Tetragonal SnO2 behaves as a semiconductor, and thin-film transistors (TFTs) incorporating this material as the active layer exhibit n-type characteristics with typical field-effect mobility (μ(FE)) values of approximately 3-4 cm(2)/(V s). On the other hand, orthorhombic SnO2 is found to behave as a metal-like transparent conductive oxide. Density functional theory calculations reveal that orthorhombic SnO2 is more stable under oxygen-rich conditions, which correlates well with the experimentally observed solvent effects. The present study paves the way for the controlled synthesis of functional materials by atmospheric pressure growth techniques.
Thomas, John C.; Van der Ven, Anton
2014-12-01
The crystal structures of many technologically important high-temperature phases are predicted to have lattice instabilities at low temperature, making their thermodynamic and mechanical properties inaccessible to standard first principles approaches that rely on the (quasi) harmonic approximation. Here, we use the recently developed anharmonic potential cluster expansion within Monte Carlo simulations to predict the effect of temperature and anisotropic stress on the elastic properties of ZrH2, a material that undergoes diffusionless transitions among cubic, tetragonal, and orthorhombic phases. Our analysis shows that the mechanical properties of high-temperature phases with low-temperature vibrational instabilities are very sensitive to temperature and stress state. These findings have important implications for materials characterization and multi-scale simulations and suggest opportunities for enhanced strain engineering of high-temperature phases exhibiting soft-mode instabilities.
Local lattice distortion in the giant negative thermal expansion material Mn3Cu1-xGexN.
Iikubo, S; Kodama, K; Takenaka, K; Takagi, H; Takigawa, M; Shamoto, S
2008-11-14
Giant negative thermal expansion is achieved in antiperovskite manganese nitrides when the sharp volume change associated with magnetic ordering is broadened by substitution. In this Letter, we address the unique role of the ''magic" element, Ge, for such broadening in Mn3Cu1-xGexN. We present evidence for a local lattice distortion well described by the low-temperature tetragonal (T4) structure of Mn3GeN for a range of x, where the overall structure remains cubic. This structural instability shows a strong correlation with the broadness of the growth of the ordered magnetic moment and, hence, is considered to trigger the broadening of the volume change.
Hadron physics from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Schaefer, Andreas [Regensburg Univ. (Germany). Inst. for Theoretical Physics
2016-11-01
Particle physics experiments at modern high luminosity particle accelerators achieve orders of magnitude higher count rates than what was possible ten or twenty years ago. This extremely large statistics allows to draw far reaching conclusions even from minute signals, provided that these signals are well understood by theory. This is, however, ever more difficult to achieve. Presently, technical and scientific progress in general and experimental progress in particle physics in particular, shows typically an exponential growth rate. For example, data acquisition and analysis are, among many other factor, driven by the development of ever more efficient computers and thus by Moore's law. Theory has to keep up with this development by also achieving an exponential increase in precision, which is only possible using powerful computers. This is true for both types of calculations, analytic ones as, e.g., in quantum field perturbation theory, and purely numerical ones as in Lattice QCD. As stated above such calculations are absolutely indispensable to make best use of the extremely costly large particle physics experiments. Thus, it is economically reasonable to invest a certain percentage of the cost of accelerators and experiments in related theory efforts. The basic ideas behind Lattice QCD simulations are the following: Because quarks and gluons can never be observed individually but are always ''confined'' into colorless hadrons, like the proton, all quark-gluon states can be expressed in two different systems of basis states, namely in a quark-gluon basis and the basis of hadron states. The proton, e.g., is an eigenstate of the latter, a specific quark-gluon configuration is part of the former. In the quark-gluon basis a physical hadron, like a proton, is given by an extremely complicated multi-particle wave function containing all effects of quantum fluctuations. This state is so complicated that it is basically impossible to model it
Crystal growth and magnetic characterization of a tetragonal polymorph of NiNb2O6
Munsie, T. J. S.; Millington, A.; Dube, P. A.; Dabkowska, H. A.; Britten, J.; Luke, G. M.; Greedan, J. E.
2016-04-01
A previously unidentified polymorph of nickel niobate, NiNb2O6, was grown and stabilized in single crystalline form using an optical floating zone furnace. Key parameters of the growth procedure involved use of a slight excess of NiO (1.2% by mol), an O2 atmosphere and a growth rate of 25 mm/h. The resulting boule consisted of a polycrystalline exterior shell of the columbite structure - columbite is the thermodynamically stable form of NiNb2O6 under ambient conditions - and a core region consisting of transparent yellow-green single crystals up to 5 mm×2 mm×1 mm in dimension of the previously unidentified phase. The crystal structure, solved from single crystal x-ray diffraction data, is described in the P42/n space group. Interestingly, this is not a subgroup of P42/mnm, the rutile space group. The Ni2+ ions form layers which are displaced such that interlayer magnetic frustration is anticipated. Magnetic susceptibility data shows a broad maximum at approximately 22 K and evidence for long range antiferromagnetic order at approximately 14 K, obtained by Fisher heat capacity analysis as well as heat capacity measurements. The susceptibility data for T > 25 K are well fit by a square lattice S = 1 model, consistent with the Ni sublattice topology.
Pion structure from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Javadi Motaghi, Narjes
2015-05-12
In this thesis we use lattice QCD to compute the second Mellin moments of pion generalized parton distributions and pion electromagnetic form factors. For our calculations we are able to analyze a large set of gauge configurations with 2 dynamical flavours using non-perturbatively the improved Wilson-Sheikholeslami-Wohlert fermionic action pion masses ranging down to 151 MeV. By employing improved smearing we were able to suppress excited state contamination. However, our data in the physical quark mass limit show that some excited state contamination remains. We show the non-zero sink momentum is optimal for the computation of the electromagnetic form factors and generalized form factors at finite momenta.
Weak transitions in lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Maturana, G.
1984-01-01
Some techniques to calculate the effects of the strong interactions on the matrix elements of weak processes are described. The lattice formulation of Quantum Chromodynamics is used to account for the low energy gluons, and the corresponding numerical methods are explained. The high energy contributions are included in effective lagrangians and the problem of matching the different scales related to the renormalization of the operators and wavefunctions is also discussed. The ..delta..l = 1/2 enhancement rule and the K/sup 0/-anti-K/sup 0/ are used to illustrate these techniques and the results of a numerical calculation is reported. The values obtained are very encouraging and they certainly show good qualitative agreement with the experimental values. The emphasis is on general techniques, and in particular, several improvements to this particular calculation are proposed.
Thermal cascaded lattice Boltzmann method
Fei, Linlin
2016-01-01
In this paper, a thermal cascaded lattice Boltzmann method (TCLBM) is developed in combination with the double-distribution-function (DDF) approach. A density distribution function relaxed by the cascaded scheme is employed to solve the flow field, and a total energy distribution function relaxed by the BGK scheme is used to solve temperature field, where two distribution functions are coupled naturally. The forcing terms are incorporated by means of central moments, which is consistent with the previous force scheme [Premnath \\emph{et al.}, Phys. Rev. E \\textbf{80}, 036702 (2009)] but the derivation is more intelligible and the evolution process is simpler. In the method, the viscous heat dissipation and compression work are taken into account, the Prandtl number and specific-heat ratio are adjustable, the external force is considered directly without the Boussinesq assumption, and the low-Mach number compressible flows can also be simulated. The forcing scheme is tested by simulating a steady Taylor-Green f...
Simple lattice model of macroevolution
Borkowski, Wojciech
2009-04-01
In future astrobiology, like in modern astrophysics, the numerical simulations can be a very important tool for proving theories. In this paper, I propose a simple lattice model of a multi-species ecosystem suitable for the study of emergent properties of macroevolution. Unlike the majority of ecological models, the number of species is not fixed - they emerge by "mutation" of existing species, then survive or go extinct depending on the balance between local ecological interactions. The Monte-Carlo numerical simulations show that this model is able to qualitatively reproduce phenomena that have been empirically observed, like the dependence between size of the isolated area and the number of species inhabiting there, primary production and species-diversity. The model allows also studying the causes of mass extinctions and more generally, repeatability, and the role of pure chance in macroevolution.
Directory of Open Access Journals (Sweden)
Haruhiko Koizumi
2017-06-01
Full Text Available Dislocation-free tetragonal hen egg white (HEW lysozyme crystals were grown from a seed crystal in a cell. The rates of tetragonal HEW lysozyme crystal growth normal to the (110 and (101 faces with and without a 1-MHz external electric field were measured. A decrease in the typical growth rates of the crystal measured under an applied field at 1 MHz was observed, although the overall driving force increased. Assuming that the birth and spread mechanism of two-dimensional nucleation occurs, an increase in the effective surface energy of the step ends was realized in the presence of the electric field, which led to an improvement in the crystal quality of the tetragonal HEW lysozyme crystals. This article also discusses the increase in the effective surface energy of the step ends with respect to the change in the entropy of the solid.
Soliton doubling in lattice field theory
Energy Technology Data Exchange (ETDEWEB)
Govaerts, J.; Weyers, J. (Louvain Univ. (Belgium). Inst. for Theoretical Physics); Mandula, J. (Washington Univ., St. Louis, MO (USA). Dept. of Physics)
1982-05-27
The question of when a given lattice boson field theory has more soliton solutions than its corresponding continuum field theory is considered. It is argued that such a multiplication of soliton takes place if and only if the lattice theory has multiple single-particle excitations, relative to the continuum theory.
Soliton doubling in lattice field theory
Govaerts, J.; Mandula, J.; Weyers, J.
1982-05-01
The question of when a given lattice boson field theory has more soliton solutions than its corresponding continuum field theory is considered. It is argued that such a multiplication of soliton takes place if and only if the lattice theory has multiple single-particle excitations, relative to the continuum theory.
On Some Properties of PBZ*-Lattices
Giuntini, Roberto; Ledda, Antonio; Paoli, Francesco
2017-12-01
We continue the algebraic investigation of PBZ*-lattices, a notion introduced in Giuntini et al. (Stud. Logica 104, 1145-1177, 2016) in order to obtain insights into the structure of certain algebras of effects of a Hilbert space, lattice-ordered under the spectral ordering.
Spectral Gaps in Graphene Antidot Lattices
DEFF Research Database (Denmark)
Barbaroux, Jean-Marie; Cornean, Decebal Horia; Stockmeyer, Edgardo
2017-01-01
We consider the gap creation problem in an antidot graphene lattice, i.e. a sheet of graphene with periodically distributed obstacles. We prove several spectral results concerning the size of the gap and its dependence on different natural parameters related to the antidot lattice....
An Application of Linear Algebra over Lattices
Directory of Open Access Journals (Sweden)
M. Hosseinyazdi
2008-03-01
Full Text Available In this paper, first we consider L n as a semimodule over a complete bounded distributive lattice L. Then we define the basic concepts of module theory for L n. After that, we proved many similar theorems in linear algebra for the space L n. An application of linear algebra over lattices for solving linear systems, was given
Secrecy Gain: a Wiretap Lattice Code Design
Belfiore, Jean-Claude; Oggier, Frédérique
2010-01-01
We propose the notion of secrecy gain as a code design criterion for wiretap lattice codes to be used over an additive white Gaussian noise channel. Our analysis relies on the error probabilites of both the legitimate user and the eavesdropper. We focus on geometrical properties of lattices, described by their theta series, to characterize good wiretap codes.
Lattice studies of hadrons with heavy flavors
Energy Technology Data Exchange (ETDEWEB)
Christopher Aubin
2009-07-01
I will discuss recent developments in lattice studies of hadrons composed of heavy quarks. I will mostly cover topics which are at a state of direct comparison with experiment, but will also discuss new ideas and promising techniques to aid future studies of lattice heavy quark physics.
p-systems in local Noether lattices
Directory of Open Access Journals (Sweden)
E. W. Johnson
1994-01-01
Full Text Available In this paper we introduce the concept of a p-system in a local Noether lattice and obtain several characterizations of these elements. We first obtain a topological characterization and then a characterization in terms of the existence of a certain type of decreasing sequence of elements. In addition, p-systems are characterized in quotient lattices and completions.
Lattice dynamics of ferromagnetic superconductor UGe2
Indian Academy of Sciences (India)
2015-11-27
Nov 27, 2015 ... This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory based on pairwise interactions under the framework of the shell model. The calculated phonon dispersion curves and phonon density of states are in good agreement with the measured data.
Selective nanoscale growth of lattice mismatched materials
Energy Technology Data Exchange (ETDEWEB)
Lee, Seung-Chang; Brueck, Steven R. J.
2017-06-20
Exemplary embodiments provide materials and methods of forming high-quality semiconductor devices using lattice-mismatched materials. In one embodiment, a composite film including one or more substantially-single-particle-thick nanoparticle layers can be deposited over a substrate as a nanoscale selective growth mask for epitaxially growing lattice-mismatched materials over the substrate.
Gap solitons in Rabi lattices.
Chen, Zhaopin; Malomed, Boris A
2017-03-01
We introduce a two-component one-dimensional system, which is based on two nonlinear Schrödinger or Gross-Pitaevskii equations (GPEs) with spatially periodic modulation of linear coupling ("Rabi lattice") and self-repulsive nonlinearity. The system may be realized in a binary Bose-Einstein condensate, whose components are resonantly coupled by a standing optical wave, as well as in terms of the bimodal light propagation in periodically twisted waveguides. The system supports various types of gap solitons (GSs), which are constructed, and their stability is investigated, in the first two finite bandgaps of the underlying spectrum. These include on- and off-site-centered solitons (the GSs of the off-site type are additionally categorized as spatially even and odd ones), which may be symmetric or antisymmetric, with respect to the coupled components. The GSs are chiefly stable in the first finite bandgap and unstable in the second one. In addition to that, there are narrow regions near the right edge of the first bandgap, and in the second one, which feature intricate alternation of stability and instability. Unstable solitons evolve into robust breathers or spatially confined turbulent modes. On-site-centered GSs are also considered in a version of the system that is made asymmetric by the Zeeman effect, or by birefringence of the optical waveguide. A region of alternate stability is found in the latter case too. In the limit of strong asymmetry, GSs are obtained in a semianalytical approximation, which reduces two coupled GPEs to a single one with an effective lattice potential.
Chen, Zhaopin; Malomed, Boris A.
2017-03-01
We introduce a two-component one-dimensional system, which is based on two nonlinear Schrödinger or Gross-Pitaevskii equations (GPEs) with spatially periodic modulation of linear coupling ("Rabi lattice") and self-repulsive nonlinearity. The system may be realized in a binary Bose-Einstein condensate, whose components are resonantly coupled by a standing optical wave, as well as in terms of the bimodal light propagation in periodically twisted waveguides. The system supports various types of gap solitons (GSs), which are constructed, and their stability is investigated, in the first two finite bandgaps of the underlying spectrum. These include on- and off-site-centered solitons (the GSs of the off-site type are additionally categorized as spatially even and odd ones), which may be symmetric or antisymmetric, with respect to the coupled components. The GSs are chiefly stable in the first finite bandgap and unstable in the second one. In addition to that, there are narrow regions near the right edge of the first bandgap, and in the second one, which feature intricate alternation of stability and instability. Unstable solitons evolve into robust breathers or spatially confined turbulent modes. On-site-centered GSs are also considered in a version of the system that is made asymmetric by the Zeeman effect, or by birefringence of the optical waveguide. A region of alternate stability is found in the latter case too. In the limit of strong asymmetry, GSs are obtained in a semianalytical approximation, which reduces two coupled GPEs to a single one with an effective lattice potential.
Possible resolution of the lattice Gribov ambiguity
Mandula, Jeffrey E.; Ogilvie, Michael C.
1990-04-01
The Gribov ambiguity in lattice gauge theory is discussed. The Landau gauge and the finite-temperature temporal gauge (∂4A4=0) are formulated as maximization conditions on the lattice. This formulation is shown to eliminate Gribov copies from the temporal gauge. The possibility that it also eliminates copies from the Landau gauge is discussed. An algorithm which will eliminate Gribov copies from the lattice implementation of the Landau gauge, in case any remain, is introduced and studied via Monte Carlo simulation. The algorithm involves a noncovariant intermediate step and so eliminates the copies at the cost of the possible introduction of a violation of lattice Poincaré symmetry. The covariance of this algorithm is studied numerically and no evidence is found for symmetry violation, which indicates that either the maximization form of the lattice Landau gauge is free of copies, or that the modified algorithm selects one in an acceptably covariant way.
Possible resolution of the lattice Gribov ambiguity
Energy Technology Data Exchange (ETDEWEB)
Mandula, J.E. (Department of Energy, Division of High Energy Physics, Washington, District of Columbia 20545 (USA)); Ogilvie, M.C. (Department of Physics, Washington University, St. Louis, MO (USA))
1990-04-15
The Gribov ambiguity in lattice gauge theory is discussed. The Landau gauge and the finite-temperature temporal gauge ({partial derivative}{sub 4}{ital A4}=0) are formulated as maximization conditions on the lattice. This formulation is shown to eliminate Gribov copies from the temporal gauge. The possibility that it also eliminates copies from the Landau gauge is discussed. An algorithm which will eliminate Gribov copies from the lattice implementation of the Landau gauge, in case any remain, is introduced and studied via Monte Carlo simulation. The algorithm involves a noncovariant intermediate step and so eliminates the copies at the cost of the possible introduction of a violation of lattice Poincare symmetry. The covariance of this algorithm is studied numerically and no evidence is found for symmetry violation, which indicates that either the maximization form of the lattice Landau gauge is free of copies, or that the modified algorithm selects one in an acceptably covariant way.
Supersymmetry on a space-time lattice
Energy Technology Data Exchange (ETDEWEB)
Kaestner, Tobias
2008-10-28
In this thesis the WZ model in one and two dimensions has been thoroughly investigated. With the help of the Nicolai map it was possible to construct supersymmetrically improved lattice actions that preserve one of several supersymmetries. For the WZ model in one dimension SLAC fermions were utilized for the first time leading to a near-perfect elimination of lattice artifacts. In addition the lattice superpotential does not get modified which in two dimensions becomes important when further (discrete) symmetries of the continuum action are considered. For Wilson fermions two new improvements have been suggested and were shown to yield far better results than standard Wilson fermions concerning lattice artifacts. In the one-dimensional theory Ward Identities were studied.However, supersymmetry violations due to broken supersymmetry could only be detected at coarse lattices and very strong couplings. For the two-dimensional models a detailed analysis of supersymmetric improvement terms was given, both for Wilson and SLAC fermions. (orig.)
Atom interferometry using a shaken optical lattice
Weidner, C. A.; Yu, Hoon; Kosloff, Ronnie; Anderson, Dana Z.
2017-04-01
We introduce shaken lattice interferometry with atoms trapped in a one-dimensional optical lattice. By phase modulating (shaking) the lattice, we control the momentum state of the atoms. Through a sequence of shaking functions, the atoms undergo an interferometer sequence of splitting, propagation, reflection, reverse propagation, and recombination. Each shaking function in the sequence is optimized with a genetic algorithm to achieve the desired momentum state transitions. As with conventional atom interferometers, the sensitivity of the shaken lattice interferometer increases with interrogation time. The shaken lattice interferometer may also be optimized to sense signals of interest while rejecting others, such as the measurement of an ac inertial signal in the presence of an unwanted dc signal.
Energy Technology Data Exchange (ETDEWEB)
Marin, E.; Tomas, R.; /CERN; Bambade, P.; /Orsay, LAL; Okugi, T.; Tauchi, T.; Terunuma, N.; Urakawa, J.; /KEK, Tsukuba; Seryi, A.; /Oxford U., JAI; White, G.; Woodley, M.; /SLAC
2011-12-09
The current status for the ATF2 Nominal and Ultra-low {beta}* lattices are presented in this paper. New lattice designs have been obtained in order to minimise the impact of the last interpretation of multipole measurements that have been included into the model. However, the new ATF2 Ultra-low design is not able to recover the expected vertical beam size at the IP with the current magnet distribution. Therefore, different quadrupole sorting have been studied. A significant gain is evident for the ATF2 Ultra-low lattice when sorting the magnets according to the skew-sextupolar components. The ATF2 Nominal lattice is also expected to benefit from the new sorting. Tuning results of the new ATF2 Ultra-low lattice under realistic imperfections are also reported.
Energy Technology Data Exchange (ETDEWEB)
Mukaeda, L.E.; Robin, A.; Taguchi, S.P. [Universidade de Sao Paulo (DEMAR/EEL/USP), Lorena, SP (Brazil). Escola de Engenharia de Lorena. Dept. de Engenharia de Materiais; Santos, C. [ProtMat Materiais Avancados, Guaratingueta, SP (Brazil)
2009-07-01
With the evolution of the dental restoration techniques, a considerable growth in the demand of ceramic products occurred. These materials present good strength associated to reliability. In this work, micrometric and nanometric scale tetragonal ZrO{sub 2} blocks were sintered at 1500 deg C-2h and 1350 deg C-2h, respectively, ground and polished. Ceramics with relative density higher than 98% were obtained. The specimens were immersed in hot water (150 deg C), for times ranging from 10h to 30h. The mass variation of the samples was measured and the crystalline phases present before and after the degradation tests were identified by X-ray diffractometry, in order to evaluate the capacity of these ceramics in resisting to aqueous medium exposure. Materials with nanometric structure present higher resistance to degradation than those with micrometric scale, and this interferes in structural stability after the test, and reduces the martensitic transformation. (author)
Lattice-Based Revocable Certificateless Signature
Directory of Open Access Journals (Sweden)
Ying-Hao Hung
2017-10-01
Full Text Available Certificateless signatures (CLS are noticeable because they may resolve the key escrow problem in ID-based signatures and break away the management problem regarding certificate in conventional signatures. However, the security of the mostly previous CLS schemes relies on the difficulty of solving discrete logarithm or large integer factorization problems. These two problems would be solved by quantum computers in the future so that the signature schemes based on them will also become insecure. For post-quantum cryptography, lattice-based cryptography is significant due to its efficiency and security. However, no study on addressing the revocation problem in the existing lattice-based CLS schemes is presented. In this paper, we focus on the revocation issue and present the first revocable CLS (RCLS scheme over lattices. Based on the short integer solution (SIS assumption over lattices, the proposed lattice-based RCLS scheme is shown to be existential unforgeability against adaptive chosen message attacks. By performance analysis and comparisons, the proposed lattice-based RCLS scheme is better than the previously proposed lattice-based CLS scheme, in terms of private key size, signature length and the revocation mechanism.
Local lattice distortions vs. structural phase transition in NdFeAsO{sub 1−x}F{sub x}
Energy Technology Data Exchange (ETDEWEB)
Calamiotou, M., E-mail: mcalam@phys.uoa.gr [Solid State Physics Department, Faculty of Physics, University of Athens, GR-15784 Athens (Greece); Lampakis, D. [TEI Larissa, GR 41334 Larissa (Greece); Zhigadlo, N.D.; Katrych, S.; Karpinski, J. [Laboratory for Solid State Physics, ETH Zurich, 8093 Zurich (Switzerland); Fitch, A. [ESRF, The European Synchrotron, 71 Avenue des Martyrs, 38000, Grenoble (France); Tsiaklagkanos, P.; Liarokapis, E. [Department of Physics, National Technical University of Athens, GR15780, Athens (Greece)
2016-08-15
Highlights: • We studied two concentrations, representatives of the superconducting and the non-superconducting regions of the phase diagram of NdFeAsO{sub 1−x}F{sub x} system, by combining high resolution high statistics synchrotron diffraction with micro-Raman data as a function of temperature. • The evolution of the atomic displacement parameters, which agree with modifications in the phonon spectra, point to an isostructural disorded phase in the superconducting sample, in contrast to a tetragonal to orthorhombic long range phase transition that occurs at low doping. • Based on the absence of magnetic effects in this temperature range for the superconducting sample, we attribute the observed lattice anomalies to the formation of local lattice distortions that, being screened by the carriers, can only acquire long-range coherence by means of a structural phase transition at low doping levels. - Abstract: The lattice properties at low temperatures of two samples of NdFeAsO{sub 1−x}F{sub x} (x = 0.05 and 0.25) have been examined in order to investigate possible structural phase transition that may occur in the optimally doped superconducting sample with respect to the non-superconducting low-F concentration compound. In order to detect small modifications in the ion displacements with temperature micro-Raman and high resolution synchrotron powder diffraction measurements were carried out. No increase of the width of the (2 2 0) or (3 2 2) tetragonal diffraction peaks and microstrains could be found in the superconducting sample from synchrotron XRD measurements. On the other hand, the atomic displacement parameters deviate from the expected behavior, in agreement with modifications in the phonon width, as obtained by Raman scattering. These deviations occur around 150 K for both F dopings, with distinct differences among the two compounds, i.e., they decrease at low doping and increase for the superconducting sample. The data do not support a hidden
Kim, Su Yeon; Jeong, Jong Seok; Mkhoyan, K. Andre; Jang, Ho Seong
2016-05-01
Highly efficient downconversion (DC) green-emitting LiYF4:Ce,Tb nanophosphors have been synthesized for bright dual-mode upconversion (UC) and DC green-emitting core/double-shell (C/D-S) nanophosphors--Li(Gd,Y)F4:Yb(18%),Er(2%)/LiYF4:Ce(15%),Tb(15%)/LiYF4--and the C/D-S structure has been proved by extensive scanning transmission electron microscopy (STEM) analysis. Colloidal LiYF4:Ce,Tb nanophosphors with a tetragonal bipyramidal shape are synthesized for the first time and they show intense DC green light via energy transfer from Ce3+ to Tb3+ under illumination with ultraviolet (UV) light. The LiYF4:Ce,Tb nanophosphors show 65 times higher photoluminescence intensity than LiYF4:Tb nanophosphors under illumination with UV light and the LiYF4:Ce,Tb is adapted into a luminescent shell of the tetragonal bipyramidal C/D-S nanophosphors. The formation of the DC shell on the core significantly enhances UC luminescence from the UC core under irradiation of near infrared light and concurrently generates DC luminescence from the core/shell nanophosphors under UV light. Coating with an inert inorganic shell further enhances the UC-DC dual-mode luminescence by suppressing the surface quenching effect. The C/D-S nanophosphors show 3.8% UC quantum efficiency (QE) at 239 W cm-2 and 73.0 +/- 0.1% DC QE. The designed C/D-S architecture in tetragonal bipyramidal nanophosphors is rigorously verified by an energy dispersive X-ray spectroscopy (EDX) analysis, with the assistance of line profile simulation, using an aberration-corrected scanning transmission electron microscope equipped with a high-efficiency EDX. The feasibility of these C/D-S nanophosphors for transparent display devices is also considered.Highly efficient downconversion (DC) green-emitting LiYF4:Ce,Tb nanophosphors have been synthesized for bright dual-mode upconversion (UC) and DC green-emitting core/double-shell (C/D-S) nanophosphors--Li(Gd,Y)F4:Yb(18%),Er(2%)/LiYF4:Ce(15%),Tb(15%)/LiYF4--and the C/D-S structure
Lattice-induced modulators at terahertz frequencies.
Naranjo, Guillermo A; Peralta, Xomalin G
2017-12-01
We measured the transmission spectra of an array of split-ring resonators (SRRs) up to 10 terahertz for parallel and perpendicular polarizations. Calculations of the lattice and plasmon mode dispersion relations, in combination with electromagnetic simulations, confirm the presence of multiple higher-order lattice and plasmon modes. We modify the quality factor of higher-order plasmon resonances by modulating the lattice-plasmon mode coupling via changes in the period of the array. We also propose single frequency switches and a broadband dual-state amplitude modulator based on structured illumination that actively modifies the period of the SRR array.
Optical lattice on an atom chip
DEFF Research Database (Denmark)
Gallego, D.; Hofferberth, S.; Schumm, Thorsten
2009-01-01
Optical dipole traps and atom chips are two very powerful tools for the quantum manipulation of neutral atoms. We demonstrate that both methods can be combined by creating an optical lattice potential on an atom chip. A red-detuned laser beam is retroreflected using the atom chip surface as a high......-quality mirror, generating a vertical array of purely optical oblate traps. We transfer thermal atoms from the chip into the lattice and observe cooling into the two-dimensional regime. Using a chip-generated Bose-Einstein condensate, we demonstrate coherent Bloch oscillations in the lattice....
Coherent collisional spin dynamics in optical lattices.
Widera, Artur; Gerbier, Fabrice; Fölling, Simon; Gericke, Tatjana; Mandel, Olaf; Bloch, Immanuel
2005-11-04
We report on the observation of coherent, purely collisionally driven spin dynamics of neutral atoms in an optical lattice. For high lattice depths, atom pairs confined to the same lattice site show weakly damped Rabi-type oscillations between two-particle Zeeman states of equal magnetization, induced by spin-changing collisions. Moreover, measurement of the oscillation frequency allows for precise determination of the spin-changing collisional coupling strengths, which are directly related to fundamental scattering lengths describing interatomic collisions at ultracold temperatures.
Measurement Based Quantum Computation on Fractal Lattices
Directory of Open Access Journals (Sweden)
Michal Hajdušek
2010-06-01
Full Text Available In this article we extend on work which establishes an analology between one-way quantum computation and thermodynamics to see how the former can be performed on fractal lattices. We find fractals lattices of arbitrary dimension greater than one which do all act as good resources for one-way quantum computation, and sets of fractal lattices with dimension greater than one all of which do not. The difference is put down to other topological factors such as ramification and connectivity. This work adds confidence to the analogy and highlights new features to what we require for universal resources for one-way quantum computation.
Charmonium excited state spectrum in lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Jozef Dudek; Robert Edwards; Nilmani Mathur; David Richards
2008-02-01
Working with a large basis of covariant derivative-based meson interpolating fields we demonstrate the feasibility of reliably extracting multiple excited states using a variational method. The study is performed on quenched anisotropic lattices with clover quarks at the charm mass. We demonstrate how a knowledge of the continuum limit of a lattice interpolating field can give additional spin-assignment information, even at a single lattice spacing, via the overlap factors of interpolating field and state. Excited state masses are systematically high with respect to quark potential model predictions and, where they exist, experimental states. We conclude that this is most likely a result of the quenched approximation.
How to Share a Lattice Trapdoor
DEFF Research Database (Denmark)
Bendlin, Rikke; Peikert, Chris; Krehbiel, Sara
2013-01-01
We develop secure threshold protocols for two important operations in lattice cryptography, namely, generating a hard lattice Λ together with a "strong" trapdoor, and sampling from a discrete Gaussian distribution over a desired coset of Λ using the trapdoor. These are the central operations...... delegation, which is used in lattice-based hierarchical IBE schemes. Our work therefore directly transfers all these systems to the threshold setting. Our protocols provide information-theoretic (i.e., statistical) security against adaptive corruptions in the UC framework, and they are robust against up to ℓ...
Honeycomb optical lattices with harmonic confinement
DEFF Research Database (Denmark)
Jacobsen, Jens Kusk Block; Nygaard, Nicolai
2010-01-01
We consider the fate of the Dirac points in the spectrum of a honeycomb optical lattice in the presence of a harmonic confining potential. By numerically solving the tight binding model, we calculate the density of states and find that the energy dependence can be understood from analytical...... arguments. In addition, we show that the density of states of the harmonically trapped lattice system can be understood by application of a local density approximation based on the density of states in the homogeneous lattice. The Dirac points are found to survive locally in the trap as evidenced...
Electronic properties of graphene antidot lattices
DEFF Research Database (Denmark)
Fürst, Joachim Alexander; Pedersen, Jesper Goor; Flindt, C.
2009-01-01
into a semiconductor. We calculate the electronic band structure of graphene antidot lattices using three numerical approaches with different levels of computational complexity, efficiency and accuracy. Fast finite-element solutions of the Dirac equation capture qualitative features of the band structure, while full......Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal...
Construction of Capacity Achieving Lattice Gaussian Codes
Alghamdi, Wael
2016-04-01
We propose a new approach to proving results regarding channel coding schemes based on construction-A lattices for the Additive White Gaussian Noise (AWGN) channel that yields new characterizations of the code construction parameters, i.e., the primes and dimensions of the codes, as functions of the block-length. The approach we take introduces an averaging argument that explicitly involves the considered parameters. This averaging argument is applied to a generalized Loeliger ensemble [1] to provide a more practical proof of the existence of AWGN-good lattices, and to characterize suitable parameters for the lattice Gaussian coding scheme proposed by Ling and Belfiore [3].
Density redistribution effects in fermionic optical lattices
Soni, Medha; Troyer, Matthias
2016-01-01
We simulate a one dimensional fermionic optical lattice to analyse heating due to non-adiabatic lattice loading. Our simulations reveal that, similar to the bosonic case, density redistribution effects are the major cause of heating in harmonic traps. We suggest protocols to modulate the local density distribution during the process of lattice loading, in order to reduce the excess energy. Our numerical results confirm that linear interpolation of the trapping potential and/or the interaction strength is an efficient method of doing so, bearing practical applications relevant to experiments.
Theory of unsaturated silicon lattices
Zhang, Feng; Stucke, David; Stojkovic, Dragan; Crespi, Vincent
2008-03-01
Several molecules are known to contain stable silicon double or triple bonds that are sterically protected by bulky side groups. Through first-principles computation, we demonstrate that well-defined π bonds can also be formed in two prototypical crystalline Si structures: Schwarzite Si-168 and dilated diamond. The sp^2-bonded Si-168 is thermodynamically preferred over diamond silicon at a modest negative pressure of -2.5 GPa. Ab-initio molecular dynamics simulations of Si-168 at 1000 K reveal significant thermal stability. Si-168 is metallic in density functional theory, but with distinct π-like and &*circ;-like valence and conduction band complexes just above and below the Fermi energy. A bandgap buried in the valence band but close to the Fermi level can be accessed via hole doping in semiconducting Si144B24. A less-stable crystalline system with a silicon-silicon triple bond is also examined: a rare-gas intercalated open framework on a dilated diamond lattice.
Local lattice effects in oxides
Energy Technology Data Exchange (ETDEWEB)
Louca, Despina [Los Alamos National Laboratory, Condensed Matter and Thermal Physics Group, MST 10, MS K764, Los Alamos, New Mexico 87545 (United States); Kwei, George H. [Los Alamos National Laboratory, Condensed Matter and Thermal Physics Group, MST 10, MS K764, Los Alamos, New Mexico 87545 (United States)
1999-09-01
Neutron diffraction measurements were used to investigate the local atomic structure of manganese and cobalt oxides. Static Jahn-Teller (JT) distortions present in the lightly doped perovskite manganates were found in metallic compositions as well. The cooperativeness of the distortions is however lost as the doping is increased. In the two-layer manganates, the existence of a local JT effect helps explain the similarities in the properties between cubic and layered systems. In the cobalt system, the coupling strength of the lattice to the e{sub g} states during the thermal activation from the ground, low-spin (LS) state to an excited, intermediate (IS) or high-spin (HS) states for Co in LaCoO{sub 3} changes as a function of temperature. The introduction of extra carriers by doping of La{sub 1-x}Sr{sub x}CoO{sub 3} stabilizes the IS JT states, populated at a rate proportional to the charge density. The JT distortions induced in this system are dynamic in nature if compared to the ones in the manganates. (c) 1999 American Institute of Physics.
Nuclear reactions from lattice QCD
Briceño, Raúl A.; Davoudi, Zohreh; Luu, Thomas C.
2015-02-01
One of the overarching goals of nuclear physics is to rigorously compute properties of hadronic systems directly from the fundamental theory of strong interactions, quantum chromodynamics (QCD). In particular, the hope is to perform reliable calculations of nuclear reactions which will impact our understanding of environments that occur during big bang nucleosynthesis, the evolution of stars and supernovae, and within nuclear reactors and high energy/density facilities. Such calculations, being truly ab initio, would include all two-nucleon and three-nucleon (and higher) interactions in a consistent manner. Currently, lattice quantum chromodynamics (LQCD) provides the only reliable option for performing calculations of some of the low-energy hadronic observables. With the aim of bridging the gap between LQCD and nuclear many-body physics, the Institute for Nuclear Theory held a workshop on Nuclear Reactions from LQCD on March 2013. In this review article, we report on the topics discussed in this workshop and the path planned to move forward in the upcoming years.
Lattice Universe: examples and problems
Energy Technology Data Exchange (ETDEWEB)
Brilenkov, Maxim [Odessa National University, Department of Theoretical Physics, Odessa (Ukraine); Eingorn, Maxim [North Carolina Central University, Physics Department, Durham, NC (United States); Zhuk, Alexander [Odessa National University, Astronomical Observatory, Odessa (Ukraine)
2015-05-15
We consider lattice Universes with spatial topologies T x T x T, T x T x R, and T x R x R. In the Newtonian limit of General Relativity, we solve the Poisson equation for the gravitational potential in the enumerated models. In the case of point-like massive sources in the T x T x T model, we demonstrate that the gravitational potential has no definite values on the straight lines joining identical masses in neighboring cells, i.e. at points where masses are absent. Clearly, this is a nonphysical result, since the dynamics of cosmic bodies is not determined in such a case. The only way to avoid this problem and get a regular solution at any point of the cell is the smearing of these masses over some region. Therefore, the smearing of gravitating bodies in N-body simulations is not only a technical method but also a physically substantiated procedure. In the cases of T x T x R and T x R x R topologies, there is no way to get any physically reasonable and nontrivial solution. The only solutions we can get here are the ones which reduce these topologies to the T x T x T one. (orig.)
Infinitesimal diffeomorfisms on the lattice
CERN. Geneva
2015-01-01
The energy-momentum tensor and local translation Ward identities constitute the essential toolkit to probe the response of a QFT to an infinitesimal change of geometry. This is relevant in a number of contexts. For instance in order to get the thermodynamical equation of state, one wants to study the response of a Euclidean QFT in a finite box to a change in the size of the box. The lattice formulation of QFTs is a prime tool to study their dynamics beyond perturbation theory. However Poincaré invariance is explicitly broken, and is supposed to be recovered only in the continuum limit. Approximate local Ward identities for translations can be defined, by they require some care for two reasons: 1) the energy-momentum tensor needs to be properly defined through a renormalization procedure; 2) the action of infinitesimal local translations (i.e. infinitesimal diffeomorfisms) is ill-defined on local observables. In this talk I will review the issues related to the renormalization of the energy-momentum tensor ...
Halo Mitigation Using Nonlinear Lattices
Sonnad, Kiran G
2005-01-01
This work shows that halos in beams with space charge effects can be controlled by combining nonlinear focusing and collimation. The study relies on Particle-in-Cell (PIC) simulations for a one dimensional, continuous focusing model. The PIC simulation results show that nonlinear focusing leads to damping of the beam oscillations thereby reducing the mismatch. It is well established that reduced mismatch leads to reduced halo formation. However, the nonlinear damping is accompanied by emittance growth causing the beam to spread in phase space. As a result, inducing nonlinear damping alone cannot help mitigate the halo. To compensate for this expansion in phase space, the beam is collimated in the simulation and further evolution of the beam shows that the halo is not regenerated. The focusing model used in the PIC is analysed using the Lie Transform perturbation theory showing that by averaging over a lattice period, one can reuduce the focusing force to a form that is identical to that used in the PIC simula...
Essentially Entropic Lattice Boltzmann Model
Atif, Mohammad; Kolluru, Praveen Kumar; Thantanapally, Chakradhar; Ansumali, Santosh
2017-12-01
The entropic lattice Boltzmann model (ELBM), a discrete space-time kinetic theory for hydrodynamics, ensures nonlinear stability via the discrete time version of the second law of thermodynamics (the H theorem). Compliance with the H theorem is numerically enforced in this methodology and involves a search for the maximal discrete path length corresponding to the zero dissipation state by iteratively solving a nonlinear equation. We demonstrate that an exact solution for the path length can be obtained by assuming a natural criterion of negative entropy change, thereby reducing the problem to solving an inequality. This inequality is solved by creating a new framework for construction of Padé approximants via quadrature on appropriate convex function. This exact solution also resolves the issue of indeterminacy in case of nonexistence of the entropic involution step. Since our formulation is devoid of complex mathematical library functions, the computational cost is drastically reduced. To illustrate this, we have simulated a model setup of flow over the NACA-0012 airfoil at a Reynolds number of 2.88 ×106.
The Lattice-Valued Turing Machines and the Lattice-Valued Type 0 Grammars
Directory of Open Access Journals (Sweden)
Juan Tang
2014-01-01
Full Text Available Purpose. The purpose of this paper is to study a class of the natural languages called the lattice-valued phrase structure languages, which can be generated by the lattice-valued type 0 grammars and recognized by the lattice-valued Turing machines. Design/Methodology/Approach. From the characteristic of natural language, this paper puts forward a new concept of the l-valued Turing machine. It can be used to characterize recognition, natural language processing, and dynamic characteristics. Findings. The mechanisms of both the generation of grammars for the lattice-valued type 0 grammar and the dynamic transformation of the lattice-valued Turing machines were given. Originality/Value. This paper gives a new approach to study a class of natural languages by using lattice-valued logic theory.
Regge calculus models of closed lattice universes
Liu, Rex G
2016-01-01
This paper examines the behaviour of closed `lattice universes' wherein masses are distributed in a regular lattice on the Cauchy surfaces of closed vacuum universes. Such universes are approximated using a form of Regge calculus originally developed by Collins and Williams to model closed FLRW universes. We consider two types of lattice universes, one where all masses are identical to each other and another where one mass gets perturbed in magnitude. In the unperturbed universe, we consider the possible arrangements of the masses in the Regge Cauchy surfaces and demonstrate that the model will only be stable if each mass lies within some spherical region of convergence. We also briefly discuss the existence of Regge models that are dual to the ones we have considered. We then model a perturbed lattice universe and demonstrate that the model's evolution is well-behaved, with the expansion increasing in magnitude as the perturbation is increased.
Breatherlike impurity modes in discrete nonlinear lattices
DEFF Research Database (Denmark)
Hennig, D.; Rasmussen, Kim; Tsironis, G. P.
1995-01-01
We investigate the properties of a disordered generalized discrete nonlinear Schrodinger equation, containing both diagonal and nondiagonal nonlinear terms. The equation models a Linear host lattice doped with nonlinear impurities. We find different types of impurity states that form itinerant...
Link fermions in Euclidean lattice gauge theory
Energy Technology Data Exchange (ETDEWEB)
Brower, R.; Giles, R.; Maturana, G.
1984-02-15
The representation of the Wilson lattice fermion propagator as a sum over classical particle trajectories is discussed. A simple generalization of this path sum leads to an extended set of fermion theories characterized by one (or more) additional parameters. Such theories are nonlocal when written in terms of the usual four-component Dirac field. They are more naturally characterized by a local action functional whose degrees of freedom are those of a set of two-component Fermi fields defined on directed links of the lattice. Such lattice fields correspond to the direct product of a four-vector and Dirac spinor. For a suitable choice of parameters, the extended fermion theory offers a precocious approach to the continuum dispersion relation as the lattice spacing goes to zero and is therefore of interest for numerical studies of QCD.
Diffusive description of lattice gas models
DEFF Research Database (Denmark)
Fiig, T.; Jensen, H.J.
1993-01-01
We have investigated a lattice gas model consisting of repulsive particles following deterministic dynamics. Two versions of the model are studied. In one case we consider a Finite open system in which particles can leave and enter the lattice over the edge. In the other case we use periodic...... in time. We have numerically investigated the power spectrum of the density fluctuations, the lifetime distribution, and the spatial correlation function. We discuss the appropriate Langevin-like diffusion equation which can reproduce our numerical findings. Our conclusion is that the deterministic...... lattice gases are described by a diffusion equation without any bulk noise. The open lattice gas exhibits a crossover behavior as the probability for introducing particles at the edge of the system becomes small. The power spectrum changes from a 1/f to a 1/f2 spectrum. The diffusive description, proven...
Optical vortex array in spatially varying lattice
Kapoor, Amit; Senthilkumaran, P; Joseph, Joby
2015-01-01
We present an experimental method based on a modified multiple beam interference approach to generate an optical vortex array arranged in a spatially varying lattice. This method involves two steps which are: numerical synthesis of a consistent phase mask by using two-dimensional integrated phase gradient calculations and experimental implementation of produced phase mask by utilizing a phase only spatial light modulator in an optical 4f Fourier filtering setup. This method enables an independent variation of the orientation and period of the vortex lattice. As working examples, we provide the experimental demonstration of various spatially variant optical vortex lattices. We further confirm the existence of optical vortices by formation of fork fringes. Such lattices may find applications in size dependent trapping, sorting, manipulation and photonic crystals.
Local gauge symmetry on optical lattices?
Liu, Yuzhi; Tsai, Shan-Wen
2012-01-01
The versatile technology of cold atoms confined in optical lattices allows the creation of a vast number of lattice geometries and interactions, providing a promising platform for emulating various lattice models. This opens the possibility of letting nature take care of sign problems and real time evolution in carefully prepared situations. Up to now, experimentalists have succeeded to implement several types of Hubbard models considered by condensed matter theorists. In this proceeding, we discuss the possibility of extending this effort to lattice gauge theory. We report recent efforts to establish the strong coupling equivalence between the Fermi Hubbard model and SU(2) pure gauge theory in 2+1 dimensions by standard determinantal methods developed by Robert Sugar and collaborators. We discuss the possibility of using dipolar molecules and external fields to build models where the equivalence holds beyond the leading order in the strong coupling expansion.
Lattice Regenerative Cooling Methods (LRCM) Project
National Aeronautics and Space Administration — ORBITEC proposes to develop and demonstrate a novel cooling concept called Lattice Regenerative Cooling Methods (LRCM) for future high thrust in-space propulsion...
JOSHUA system. Volume 4. Lattice physics
Energy Technology Data Exchange (ETDEWEB)
1970-06-01
Lattice physics subsystems of the JOSHUA system are described. Information is included on data management, geometry modules, nuclear data modules, and integral transport modules. The JOSHUA system is a set of computer codes for the design of heterogeneous reactors.
Eight light flavors on large lattice volumes
Schaich, David
2013-01-01
I present first results from large-scale lattice investigations of SU(3) gauge theory with eight light flavors in the fundamental representation. Using leadership computing resources at Argonne, we are generating gauge configurations with lattice volumes up to $64^3\\times128$ at relatively strong coupling, in an attempt to access the chiral regime. We use nHYP-improved staggered fermions, carefully monitoring finite-volume effects and other systematics. Here I focus on analyses of the light hadron spectrum and chiral condensate, measured on lattice volumes up to $48^3\\times96$ with fermion masses as light as m=0.004 in lattice units. We find no clear indication of spontaneous chiral symmetry breaking in these observables. I discuss the implications of these initial results, and prospects for further physics projects employing these ensembles of gauge configurations.
Infinite products over visible lattice points
Campbell, Geoffrey B.
1994-01-01
About fifty new multivariate combinatorial identities are given, connected with partition theory, prime products, and Dirichlet series. Connections to Lattice Sums in Chemistry and Physics are alluded to also.
Infinite products over visible lattice points
Directory of Open Access Journals (Sweden)
Geoffrey B. Campbell
1994-01-01
Full Text Available About fifty new multivariate combinatorial identities are given, connected with partition theory, prime products, and Dirichlet series. Connections to Lattice Sums in Chemistry and Physics are alluded to also.
Optical physics: Magnetic appeal in strained lattice
Lepetit, Thomas
2013-02-01
Using strain to induce a pseudomagnetic field in a photonic lattice at optical frequencies might bring improvements to fields such as photonic crystal fibres, supercontinuum generation and frequency combs.
The Gluon Propagator without lattice Gribov copies on a finer lattice
Alexandrou, C; Follana, E; Forcrand, Ph. de
2002-01-01
We extend our study of the gluon propagator in quenched lattice QCD using the Laplacian gauge to a finer lattice. We verify the existence of a pole mass as we take the continuum limit and deduce a value of $\\sim 600^{+150}_{-30}$ MeV for this pole mass. We find a finite value of $(454(5){\\rm MeV})^{-2}$ for the renormalized zero-momentum propagator, in agreement with results on coarser lattices.
Lattice QCD and the Jefferson Laboratory Program
Energy Technology Data Exchange (ETDEWEB)
Jozef Dudek, Robert Edwards, David Richards, Konstantinos Orginos
2011-06-01
Lattice gauge theory provides our only means of performing \\textit{ab initio} calculations in the non-perturbative regime. It has thus become an increasing important component of the Jefferson Laboratory physics program. In this paper, we describe the contributions of lattice QCD to our understanding of hadronic and nuclear physics, focusing on the structure of hadrons, the calculation of the spectrum and properties of resonances, and finally on deriving an understanding of the QCD origin of nuclear forces.
Lattice Boltzmann model for incompressible axisymmetric flows.
Chen, Sheng; Tölke, Jonas; Geller, Sebastian; Krafczyk, Manfred
2008-10-01
A lattice Boltzmann model for incompressible axisymmetric flow is proposed in this paper. Unlike previous axisymmetric lattice Boltzmann models, which were based on "primitive-variables" Navier-Stokes equations, the target macroscopic equations of the present model are vorticity-stream-function formulations. Due to the intrinsic features of vorticity-stream-function formulations, the present model is more efficient, more stable, and much simpler than the existing models. The advantages of the present model are validated by numerical experiments.
Lattice Boltzmann approach for complex nonequilibrium flows.
Montessori, A; Prestininzi, P; La Rocca, M; Succi, S
2015-10-01
We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.
Lattice quantum chromodynamics with approximately chiral fermions
Energy Technology Data Exchange (ETDEWEB)
Hierl, Dieter
2008-05-15
In this work we present Lattice QCD results obtained by approximately chiral fermions. We use the CI fermions in the quenched approximation to investigate the excited baryon spectrum and to search for the {theta}{sup +} pentaquark on the lattice. Furthermore we developed an algorithm for dynamical simulations using the FP action. Using FP fermions we calculate some LECs of chiral perturbation theory applying the epsilon expansion. (orig.)
Improved lattice fermion action for heavy quarks
Cho, Yong-Gwi; Jüttner, Andreas; Kaneko, Takashi; Marinkovic, Marina; Noaki, Jun-Ichi; Tsang, Justus Tobias
2015-01-01
We develop an improved lattice action for heavy quarks based on Brillouin-type fermions, that have excellent energy-momentum dispersion relation. The leading discretization errors of $O(a)$ and $O(a^2)$ are eliminated at tree-level. We carry out a scaling study of this improved Brillouin fermion action on quenched lattices by calculating the charmonium energy-momentum dispersion relation and hyperfine splitting. We present a comparison to standard Wilson fermions and domain-wall fermions.
The Beauty of Lattice Perturbation Theory: the Role of Lattice Perturbation Theory in B Physics
Monahan, C. J.
2012-12-01
As new experimental data arrive from the LHC the prospect of indirectly detecting new physics through precision tests of the Standard Model grows more exciting. Precise experimental and theoretical inputs are required to test the unitarity of the CKM matrix and to search for new physics effects in rare decays. Lattice QCD calculations of non-perturbative inputs have reached a precision at the level of a few percent; in many cases aided by the use of lattice perturbation theory. This review examines the role of lattice perturbation theory in B physics calculations on the lattice in the context of two questions: how is lattice perturbation theory used in the different heavy quark formalisms implemented by the major lattice collaborations? And what role does lattice perturbation theory play in determinations of non-perturbative contributions to the physical processes at the heart of the search for new physics? Framing and addressing these questions reveals that lattice perturbation theory is a tool with a spectrum of applications in lattice B physics.
Entanglement entropy in lattice gauge theories
Buividovich, . P. V.
We report on the recent progress in theoretical and numerical studies of entanglement entropy in lattice gauge theories. It is shown that the concept of quantum entanglement between gauge fields in two complementary regions of space can only be introduced if the Hilbert space of physical states is extended in a certain way. In the extended Hilbert space, the entanglement entropy can be partially interpreted as the classical Shannon entropy of the flux of the gauge fields through the boundary between the two regions. Such an extension leads to a reduction procedure which can be easily implemented in lattice simulations by constructing lattices with special topology. This enables us to measure the entanglement entropy in lattice Monte-Carlo simulations. On the simplest example of Z2 lattice gauge theory in (2 + 1) dimensions we demonstrate the relation between entanglement entropy and the classical entropy of the field flux. For SU (2) lattice gauge theory in four dimensions, we find a signature of non-analytic dependence of the entanglement entropy on the size of the region. We also comment on the holographic interpretation of the entanglement entropy.
PT-symmetry in kagome photonic lattices
Chern, Gia-Wei; Saxena, Avadh
2017-08-01
Photonic lattices composed of balanced gain and loss waveguides have attracted considerable attention due of their potential applications in optical beam engineering and image processing. These photonic lattices belong to a larger class of intriguing active metamaterials that exhibit the parity-time ( ) symmetry. Kagome lattice is a two-dimensional network of corner-sharing triangles and is often associated with geometrical frustration. In particular, the frustrated coupling between waveguide modes in a kagome array leads to a dispersionless flat band consisting of spatially localized modes. Recently, a -symmetric photonics lattice based on the kagome structure has been proposed by placing -symmetric dimers at the kagome lattice points. Each dimer corresponds to a pair of strongly coupled waveguides. With balanced arrangement of gain and loss on individual dimers, the system exhibits a -symmetric phase for finite gain/loss parameter up to a critical value. Here we discuss the linear and nonlinear optical beam propagations in this novel -symmetric kagome system. The linear beam evolution in this complex kagome waveguide array exhibits a novel oscillatory rotation of optical power along the propagation distance. Long-lived local chiral structures originating from the nearly flat bands of the kagome structure are observed when the lattice is subject to a narrow beam excitation. We further show that inclusion of Kerr-type nonlinearity leads to novel optical solitons.
Holographic superconductor on Q-lattice
Energy Technology Data Exchange (ETDEWEB)
Ling, Yi [Institute of High Energy Physics, Chinese Academy of Sciences,Beijing, 100049 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics,Chinese Academy of Sciences, Beijing, 100190 (China); Liu, Peng; Niu, Chao [Institute of High Energy Physics, Chinese Academy of Sciences,Beijing, 100049 (China); Wu, Jian-Pin [Department of Physics, School of Mathematics and Physics, Bohai University,Jinzhou, 121013 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics,Chinese Academy of Sciences, Beijing, 100190 (China); Xian, Zhuo-Yu [Institute of High Energy Physics, Chinese Academy of Sciences,Beijing, 100049 (China)
2015-02-10
We construct the simplest gravitational dual model of a superconductor on Q-lattices. We analyze the condition for the existence of a critical temperature at which the charged scalar field will condense. In contrast to the holographic superconductor on ionic lattices, the presence of Q-lattices will suppress the condensate of the scalar field and lower the critical temperature. In particular, when the Q-lattice background is dual to a deep insulating phase, the condensation would never occur for some small charges. Furthermore, we numerically compute the optical conductivity in the superconducting regime. It turns out that the presence of Q-lattice does not remove the pole in the imaginary part of the conductivity, ensuring the appearance of a delta function in the real part. We also evaluate the gap which in general depends on the charge of the scalar field as well as the Q-lattice parameters. Nevertheless, when the charge of the scalar field is relatively large and approaches the probe limit, the gap becomes universal with ω{sub g}≃9T{sub c} which is consistent with the result for conventional holographic superconductors.
Matter-wave bright solitons in effective bichromatic lattice potentials
Indian Academy of Sciences (India)
Keywords. Bose–Einstein condensate; optical lattices; inhomogeneous nonlinearity. Abstract. Matter-wave bright solitons in bichromatic lattice potentials are considered and their dynamics for different lattice environments are studied. Bichromatic potentials are created from superpositions of (i) two linear optical lattices and ...
A note on the lattice Dirac-Kaehler equation
Striker, Timothy
1995-01-01
A lattice version of the Dirac-Kaehler equation (DKE) describing fermions was discussed in articles by Becher and Joos. The decomposition of lattice Dirac-Kaehler fields (inhomogeneous cochains) to lattice Dirac fields remained as an open problem. I show that it is possible to extract Dirac fields from the DKE and discuss the resulting lattice Dirac equation.
Hyper-lattice algebraic model for data warehousing
Sen, Soumya; Chaki, Nabendu
2016-01-01
This book presents Hyper-lattice, a new algebraic model for partially ordered sets, and an alternative to lattice. The authors analyze some of the shortcomings of conventional lattice structure and propose a novel algebraic structure in the form of Hyper-lattice to overcome problems with lattice. They establish how Hyper-lattice supports dynamic insertion of elements in a partial order set with a partial hierarchy between the set members. The authors present the characteristics and the different properties, showing how propositions and lemmas formalize Hyper-lattice as a new algebraic structure.
Titanium-silicon carbide composite lattice structures
Moongkhamklang, Pimsiree
Sandwich panel structures with stiff, strong face sheets and lightweight cellular cores are widely used for weight sensitive, bending dominated loading applications. The flexural stiffness and strength of a sandwich panel is determined by the stiffness, strength, thickness, and separation of the face sheets, and by the compressive and shear stiffness and strength of the cellular core. Panel performance can be therefore optimized using cores with high specific stiffness and strength. The specific stiffness and strength of all cellular materials depends upon the specific elastic modulus and strength of the material used to make the structure. The stiffest and strongest cores for ambient temperature applications utilize carbon fiber reinforced polymer (CFRP) honeycombs and lattice structures. Few options exist for lightweight sandwich panels intended for high temperature uses. High temperature alloys such as Ti-6A1-4V can be applied to SiC monofilaments to create very high specific modulus and strength fibers. These are interesting candidates for the cores of elevated temperature sandwich structures such as the skins of hypersonic vehicles. This dissertation explores the potential of sandwich panel concepts that utilize millimeter scale titanium matrix composite (TMC) lattice structures. A method has been developed for fabricating millimeter cell size cellular lattice structures with the square or diamond collinear truss topologies from 240 mum diameter Ti-6A1-4V coated SiC monofilaments (TMC monofilaments). Lattices with relative densities in the range 10% to 20% were manufactured and tested in compression and shear. Given the very high compressive strength of the TMC monofilaments, the compressive strengths of both the square and diamond lattices were dominated by elastic buckling of the constituent struts. However, under shear loading, some of the constituent struts of the lattices are subjected to tensile stresses and failure is then set by tensile failure of the
Kondo lattice heavy fermion behavior in CeRh2Ga2
Anand, V. K.; Adroja, D. T.; Bhattacharyya, A.; Klemke, B.; Lake, B.
2017-04-01
The physical properties of an intermetallic compound CeRh2Ga2 have been investigated by magnetic susceptibility χ (T) , isothermal magnetization M(H), heat capacity {{C}\\text{p}}(T) , electrical resistivity ρ (T) , thermal conductivity κ (T) and thermopower S(T) measurements. CeRh2Ga2 is found to crystallize with CaBe2Ge2-type primitive tetragonal structure (space group P4/nmm). No evidence of long range magnetic order is seen down to 1.8 K. The χ (T) data show paramagnetic behavior with an effective moment {μ\\text{eff}}≈ 2.5~{μ\\text{B}} /Ce indicating Ce3+ valence state of Ce ions. The ρ (T) data exhibit Kondo lattice behavior with a metallic ground state. The low-T {{C}\\text{p}}(T) data yield an enhanced Sommerfeld coefficient γ =130(2) mJ/mol K2 characterizing CeRh2Ga2 as a moderate heavy fermion system. The high-T {{C}\\text{p}}(T) and ρ (T) show an anomaly near 255 K, reflecting a phase transition. The κ (T) suggests phonon dominated thermal transport with considerably higher values of Lorenz number L(T) compared to the theoretical Sommerfeld value L 0.
Ferromagnetism in the Kondo-lattice compound CePd2P2.
Tran, Vinh Hung; Bukowski, Zbigniew
2014-06-25
We report physical properties of CePd2P2 crystallizing in the tetragonal ThCr2Si2-type structure (space group I4/mmm). Dc-magnetic susceptibility, magnetization, specific heat, electrical resistivity and magnetoresistance measurements establish a ferromagnetic ordering below the Curie temperature TC = 28.4 ± 0.2 K. Critical analysis of isothermal and isofield magnetization yields critical exponents of β = 0.405 ± 0.005, γ = 1.11 ± 0.05 and δ = 3.74 ± 0.04. The ordered state is characterized by saturation moment Ms ∼ 0.98μB and magnon energy gap Δ/kB ∼25–35 K. The studied properties reflect a competing influence of the Kondo and crystalline electric field (CEF) interactions. The strength of the Kondo effect is assigned by a low-temperature Kondo scale TK ∼19 ± 10 K and a high-temperature Kondo scale TK ~ H 117 } 10 K. A model of the inelastic scattering of the conduction electrons with an exchanged CEF energy ΔCEF was applied to the magnetic resistivity. An average value ΔCEF = 260 ± 30 K is consistent in the relationships with TK and TK H. We argue that the CePd2P2 compound appears to be a new ferromagnetic Kondo-lattice among the Ce-based intermetallics.
Few quantum particles on one dimensional lattices
Energy Technology Data Exchange (ETDEWEB)
Valiente Cifuentes, Manuel
2010-06-18
There is currently a great interest in the physics of degenerate quantum gases and low-energy few-body scattering due to the recent experimental advances in manipulation of ultracold atoms by light. In particular, almost perfect periodic potentials, called optical lattices, can be generated. The lattice spacing is fixed by the wavelength of the laser field employed and the angle betwen the pair of laser beams; the lattice depth, defining the magnitude of the different band gaps, is tunable within a large interval of values. This flexibility permits the exploration of different regimes, ranging from the ''free-electron'' picture, modified by the effective mass for shallow optical lattices, to the tight-binding regime of a very deep periodic potential. In the latter case, effective single-band theories, widely used in condensed matter physics, can be implemented with unprecedent accuracy. The tunability of the lattice depth is nowadays complemented by the use of magnetic Feshbach resonances which, at very low temperatures, can vary the relevant atom-atom scattering properties at will. Moreover, optical lattices loaded with gases of effectively reduced dimensionality are experimentally accessible. This is especially important for one spatial dimension, since most of the exactly solvable models in many-body quantum mechanics deal with particles on a line; therefore, experiments with one-dimensional gases serve as a testing ground for many old and new theories which were regarded as purely academic not so long ago. The physics of few quantum particles on a one-dimensional lattice is the topic of this thesis. Most of the results are obtained in the tight-binding approximation, which is amenable to exact numerical or analytical treatment. For the two-body problem, theoretical methods for calculating the stationary scattering and bound states are developed. These are used to obtain, in closed form, the two-particle solutions of both the Hubbard and
Energy Technology Data Exchange (ETDEWEB)
Zhang Xiaohong, E-mail: zhangxiaohong@hrbeu.edu.cn [College of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); Wang Zhengping, E-mail: zpwang@hrbeu.edu.cn [College of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); College of Science, Harbin Engineering University, Harbin 150001 (China); Qiao Yingjie [College of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China)
2011-08-15
The phase stabilities, mechanical properties and electronic structures of 3d transition metal disilicides were systematically investigated by first-principles calculations. The results indicated that the crystal volume and melting temperature of the compounds increase at first and then drop again with the filling of electrons on the bonding and anti-bonding states. For tetragonal TiSi{sub 2}, NiSi{sub 2}, CuSi{sub 2} and ZnSi{sub 2}, the calculated formation energies and elastic constants confirmed that they are either thermodynamically unstable or mechanically unstable. According to the electronic structures, it can be identified that almost all the Si-Si (I) and Si-TM (I) bonds (type I) are stronger than the Si-TM (II) and Si-TM (II) (type II) ones. Therefore, the elastic deformation resistance along the <0 0 1> direction for the compounds are expected to be larger than those along the <1 0 0> and <0 1 0> directions, demonstrated by the calculated C{sub 11}, C{sub 33}, E{sub x} (E{sub y}) and E{sub z} values. Despite of the elastic constants and moduli, the results also showed that the Si-Si (I) and Si-TM (I) bonds are very important for elucidating the interfacial behaviors of the {l_brace}0 0 1{r_brace} crystal plane. For tetragonal VSi{sub 2} and CrSi{sub 2}, the Si-Si (I) bonds are half the size of the Si-TM (I) ones, leading to a preferential cleavage of the Si-TM interface, and therefore they show brittle characteristics. However, the situations in FeSi{sub 2} and CoSi{sub 2} are different. The moderate bonding strength of type I bonds and the uniform distributions of electron density on different {l_brace}0 0 1{r_brace} interfaces indicate that slip systems preferentially appear. Therefore, FeSi{sub 2} and CoSi{sub 2} possess excellent ductility.
Sman, van der R.G.M.
2014-01-01
In this paper we present a novel numerical scheme for simulating the one-dimensional deformation of hydrogel material due to drying or rehydration. The scheme is based on the versatile Lattice Boltzmann method, which has been extended such that the computational grid (lattice) deforms due to
Kutner, R.; Beijeren, H. van
1987-01-01
An approximate theory is developed for tracer diffusion in rectangular lattice gas models with anisotropic jump rates to neighboring unoccupied sites in different directions. Comparison with Monte Carlo simulations on quadratic lattices with several ratios for the jump rates in orthogonal directions
Elcoro, Luis; Etxebarria, Jesus
2011-01-01
The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used…
Sman, van der R.G.M.
2006-01-01
In this paper we present lattice Boltzmann (LB) schemes for convection diffusion coupled to fluid flow on two-dimensional rectangular lattices. Via inverse Chapman-Enskog analysis of LB schemes including source terms, we show that for consistency with physics it is required that the moments of the
Incommensurate lattice modulations in Potassium Vanadate
Chakoumakos, Bryan; Banerjee, Arnab; Mark, Lumsden; Cao, Huibo; Kim, Jong-Woo; Hoffman, Christina; Wang, Xiaoping
Potassium Vanadate (K2V3O8) is an S = 1/2 2D square lattice antiferromagnet that shows spin reorientation indicating a strong coupling between the magnetism and its dielectric properties with a promise of rich physics that promises multiferroicity. These tangible physical properties are strongly tied through a spin-lattice coupling to the underlying lattice and superlattice behavior. It has a superlattice (SL) onsetting below Tc = 115 K with an approximate [3 x 3 x 2] modulation. Here we present our recent experiments at TOPAZ beamline at SNS which for the first time proves conclusively that the lattice modulations are incommensurate, with an in-plane Q of 0.315. We will also show our attempts to refine the data using JANA which requires a redefinition of the lattice, as well as the temperature and Q dependence of the superlattice modulation measured using neutrons at HFIR and synchrotron x-rays at APS. Our results are not only relevant for the ongoing search of multifunctional behavior in K2V3O8 but also generally for the superlattice modulations observed in a large family of fresnoites. Work performed at ORNL and ANL is supported by U.S. Dept. of Energy, Office of Basic Energy Sciences and Office of User Facilities Division.
Techniques for transparent lattice measurement and correction
Cheng, Weixing; Li, Yongjun; Ha, Kiman
2017-07-01
A novel method has been successfully demonstrated at NSLS-II to characterize the lattice parameters with gated BPM turn-by-turn (TbT) capability. This method can be used at high current operation. Conventional lattice characterization and tuning are carried out at low current in dedicated machine studies which include beam-based measurement/correction of orbit, tune, dispersion, beta-beat, phase advance, coupling etc. At the NSLS-II storage ring, we observed lattice drifting during beam accumulation in user operation. Coupling and lifetime change while insertion device (ID) gaps are moved. With the new method, dynamical lattice correction is possible to achieve reliable and productive operations. A bunch-by-bunch feedback system excites a small fraction (∼1%) of bunches and gated BPMs are aligned to see those bunch motions. The gated TbT position data are used to characterize the lattice hence correction can be applied. As there are ∼1% of total charges disturbed for a short period of time (several ms), this method is transparent to general user operation. We demonstrated the effectiveness of these tools during high current user operation.
Lattice mismatch modeling of aluminum alloys
Energy Technology Data Exchange (ETDEWEB)
Shin, Dongwon; Roy, Shibayan; Watkins, Thomas R.; Shyam, Amit
2017-10-01
We present a theoretical framework to accurately predict the lattice mismatch between the fcc matrix and precipitates in the multi-component aluminum alloys as a function of temperature and composition. We use a computational thermodynamic approach to model the lattice parameters of the multi-component fcc solid solution and θ'-Al2Cu precipitate phase. Better agreement between the predicted lattice parameters of fcc aluminum in five commercial alloys (206, 319, 356, A356, and A356 + 0.5Cu) and experimental data from the synchrotron X-ray diffraction (SXD) has been obtained when simulating supersaturated rather than equilibrium solid solutions. We use the thermal expansion coefficient of thermodynamically stable θ-Al2Cu to describe temperature-dependent lattice parameters of meta-stable θ' and to show good agreement with the SXD data. Both coherent and semi-coherent interface mismatches between the fcc aluminum matrix and θ' in Al-Cu alloys are presented as a function of temperature. Our calculation results show that the concentration of solute atoms, particularly Cu, in the matrix greatly affects the lattice mismatch
Spin order and dynamics in the diamond-lattice Heisenberg antiferromagnets CuRh2O4 and CoRh2O4
Ge, L.; Flynn, J.; Paddison, J. A. M.; Stone, M. B.; Calder, S.; Subramanian, M. A.; Ramirez, A. P.; Mourigal, M.
2017-08-01
Antiferromagnetic insulators on a diamond lattice are candidate materials to host exotic magnetic phenomena ranging from spin-orbital entanglement to degenerate spiral ground states and topological paramagnetism. Compared to other three-dimensional networks of magnetic ions, such as the geometrically frustrated pyrochlore lattice, the investigation of diamond-lattice magnetism in real materials is less mature. In this work, we characterize the magnetic properties of model A -site spinels CoRh2O4 (cobalt rhodite) and CuRh2O4 (copper rhodite) by means of thermomagnetic and neutron-scattering measurements, and we perform group theory analysis, Rietveld refinement, mean-field theory, and spin-wave theory calculations to analyze the experimental results. Our investigation reveals that cubic CoRh2O4 is a canonical S =3 /2 diamond-lattice Heisenberg antiferromagnet with a nearest-neighbor exchange J =0.63 meV and a Néel ordered ground state below a temperature of 25 K. In tetragonally distorted CuRh2O4 , competing exchange interactions between up to third-nearest-neighbor spins lead to the development of an incommensurate spin helix at 24 K with a magnetic propagation vector km=(0 ,0 ,0.79 ) . Strong reduction of the ordered moment is observed for the S =1 /2 spins in CuRh2O4 and captured by our 1 /S corrections to the staggered magnetization. Our work identifies CoRh2O4 and CuRh2O4 as reference materials to guide future work searching for exotic quantum behavior in diamond-lattice antiferromagnets.
Tetragonal Ce-based Ce-Sm(Fe, Co, Ti){sub 12} alloys for permanent magnets
Energy Technology Data Exchange (ETDEWEB)
Martin-Cid, Andres; Salazar, Daniel [BCMaterials, Bizkaia Science and Tecnology Park, 48160 Derio (Spain); Gabay, Aleksandr M.; Hadjipanayis, George C. [Department of Physics and Astronomy, University of Delaware, Newark, DE, 19716 (United States); Barandiaran, Jose Manuel [BCMaterials, Bizkaia Science and Tecnology Park, 48160 Derio (Spain); Department of Electricity and Electronics, University Basque Country (UPV/EHU), 48080 Bilbao (Spain)
2016-12-15
Abundance and relatively low cost of Ce provide a great incentive for its use in rare-earth permanent magnets. It has been recently reported that the tetragonal Ce(Fe,Co,Ti)12 compounds may exhibit application-worthy intrinsic magnetic properties. In this work the effect of the α-Fe phase formation due to the evaporation of Sm during alloy fabrication has been studied, as a previous step in the attempt to convert the intrinsic magnetic properties into functional properties of a permanent magnet. Ce{sub 0.5}Sm{sub 0.5}Fe{sub 9}Co{sub 2}Ti alloys based on the ThMn12-type crystal structure have been synthesized via melt-spinning with different Sm content. Coercive fields between 2.8 and 1.4 kOe have been found for α-Fe phase contents between 8 and 46% in volume, showing the influence of the α-Fe phase on the coercivity and exchange coupling between the hard and soft phase. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Boffelli, M; Doimo, A; Marin, E; Puppulin, L; Zhu, W; Sugano, N; Clarke, I C; Pezzotti, G
2016-03-01
Two short-term (two and nine months) retrieved zirconia-toughened alumina (ZTA) femoral heads and nine pristine femoral heads from the same manufacturer have been investigated with respect to their surface stability by means of confocal Raman spectroscopy. Quantitative estimations of monoclinic volume fraction have been carried out in both non-wear and main wear zones of the retrieved heads, which invariantly showed high volume fractions of monoclinic polymorph. In-depth (sub-surface) profiles, non-destructively collected in the main wear zones with the Raman probe in confocal configuration, indeed confirmed that polymorphic transformation was extended down to 100μm below the bearing surface of the femoral heads. Acceleration of tetragonal-to-monoclinic transformation rate leads to unexpectedly high fractions of monoclinic phase within very short-term in-vivo exposures. Phase transformation in-vivo is much more marked than what one could actually predict according to simply simulating a hydrothermal environment in-vitro and could not be simply ascribed to the mechanical stress fields generated during normal service at the bearing surface. Instead, the chemical consequences of metal contamination on the ZTA femoral head surface are shown to play the most detrimental role in phase destabilization. Copyright © 2015 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Hueger, E.
2005-08-26
In this work ultrathin metallic films with a crystal phase different to their natural bulk structure were produced by hetero-epitaxial growth on metallic substrates. A further aim of this work was to understand the initiation, growth and stability of crystal phase modifications of these films. there exist cases where the films turn beyond the pseudomorphic-growth to a crystal phase different from their natural bulk structure. The present work presents and discusses such a case in addition to the general phenomenon of pseudomorphic-growth. In particular it is shown that metals whose natural phase is face centred cubic (fcc) can be grown in body centred tetragonal (bct) or hexagonal close packed (hcp) phases in the form of thin films on (001) surfaces of appropriate substrates. The growth behavior, electron diffraction analysis, appearance conditions, geometric fit considerations, examples and a discussion of the phase stability of non-covered films and superlattices is given reviewing all epitaxial-systems whose diffraction pattern can be explained by the hexagonal or pseudomorphic bct phase. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Small, Ward [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pearson, Mark A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Metz, Tom R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-03-09
Dow Corning SE 1700 (reinforced polydimethylsiloxane) porous structures were made by direct ink writing (DIW) in a face centered tetragonal (FCT) configuration. The filament diameter was 250 μm. Structures consisting of 4, 8, or 12 layers were fabricated with center-to-center filament spacing (“road width” (RW)) of 475, 500, 525, 550, or 575 μm. Three compressive load-unload cycles to 2000 kPa were performed on four separate areas of each sample; three samples of each thickness and filament spacing were tested. At a given strain during the third loading phase, stress varied inversely with porosity. At 10% strain, the stress was nearly independent of the number of layers (i.e., thickness). At higher strains (20- 40%), the stress was highest for the 4-layer structure; the 8- and 12-layer structures were nearly equivalent suggesting that the load deflection is independent of number of layers above 8 layers. Intra-and inter-sample variability of the load deflection response was higher for thinner and less porous structures.
Spectroscopy of charmed baryons from lattice QCD
Padmanath, M; Mathur, Nilmani; Peardon, Michael
2014-01-01
We present the ground and excited state spectra of singly, doubly and triply charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6) $\\otimes$ O(3) symmetry. Various energy splittings between the extracted states, including splittings due to hyperfine as well as spin-orbit coupling, are considered and those are also compared against similar energy splittings at other quark masses.
Chiral perturbation theory for lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Baer, Oliver
2010-07-21
The formulation of chiral perturbation theory (ChPT) for lattice Quantum Chromodynamics (QCD) is reviewed. We start with brief summaries of ChPT for continuum QCD as well as the Symanzik effective theory for lattice QCD. We then review the formulation of ChPT for lattice QCD. After an additional chapter on partial quenching and mixed action theories various concrete applications are discussed: Wilson ChPT, staggered ChPT and Wilson ChPT with a twisted mass term. The remaining chapters deal with the epsilon regime with Wilson fermions and selected results in mixed action ChPT. Finally, the formulation of heavy vector meson ChPT with Wilson fermions is discussed. (orig.)
Lattice Gauge Theories Have Gravitational Duals
Energy Technology Data Exchange (ETDEWEB)
Hellerman, Simeon
2002-09-05
In this paper we examine a certain threebrane solution of type IIB string theory whose long-wavelength dynamics are those of a supersymmetric gauge theory in 2+1 continuous and 1 discrete dimension, all of infinite extent. Low-energy processes in this background are described by dimensional deconstruction, a strict limit in which gravity decouples but the lattice spacing stays finite. Relating this limit to the near-horizon limit of our solution we obtain an exact, continuum gravitational dual of a lattice gauge theory with nonzero lattice spacing. H-flux in this translationally invariant background encodes the spatial discreteness of the gauge theory, and we relate the cutoff on allowed momenta to a giant graviton effect in the bulk.
KMI Lattice Project on 16-Flavor QCD
Aoki, Yasumichi; Aoyama, Tatsumi; Kurachi, Masafumi; Maskawa, Toshihide; Nagai, Kei-Ichi; Ohki, Hiroshi; Shibata, Aakihiro; Yamawaki, Koichi; Yamazaki, Takeshi
2013-03-01
It is well known that the SU(3) gauge theory with the fundamental 16-flavor fermion is governed by a non-trivial infrared fixed point in the 2-loop perturbation theory, while the theory has not been well investigated by non-perturbative lattice simulations. We investigate properties of 16-flavor QCD by lattice simulation with highly improved action setup (HISQ/tree) at two lattice spacings. We present preliminary results for the mass of the lightest pseudoscalar meson at non-zero fermion mass. We discuss the (finite-size) hyperscaling of our data, the mass anomalous dimension extracted from the scaling, and comparison of the anomalous dimension with the perturbation theory.
Exploring hyperons and hypernuclei with lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Beane, S.R.; Bedaque, P.F.; Parreno, A.; Savage, M.J.
2003-01-01
In this work we outline a program for lattice QCD that wouldprovide a first step toward understanding the strong and weakinteractions of strange baryons. The study of hypernuclear physics hasprovided a significant amount of information regarding the structure andweak decays of light nuclei containing one or two Lambda's, and Sigma's.From a theoretical standpoint, little is known about the hyperon-nucleoninteraction, which is required input for systematic calculations ofhypernuclear structure. Furthermore, the long-standing discrepancies inthe P-wave amplitudes for nonleptonic hyperon decays remain to beunderstood, and their resolution is central to a better understanding ofthe weak decays of hypernuclei. We present a framework that utilizesLuscher's finite-volume techniques in lattice QCD to extract thescattering length and effective range for Lambda-N scattering in both QCDand partially-quenched QCD. The effective theory describing thenonleptonic decays of hyperons using isospin symmetry alone, appropriatefor lattice calculations, is constructed.
A lattice formulation of chiral gauge theories
Energy Technology Data Exchange (ETDEWEB)
Bodwin, G.T. [Argonne National Lab., IL (United States). High Energy Physics Div.
1995-12-01
The authors present a method for formulating gauge theories of chiral fermions in lattice field theory. The method makes use of a Wilson mass to remove doublers. Gauge invariance is then restored by modifying the theory in two ways: the magnitude of the fermion determinant is replaced with the square root of the determinant for a fermion with vector-like couplings to the gauge field; a double limit is taken in which the lattice spacing associated with the fermion field is taken to zero before the lattice spacing associated with the gauge field. The method applies only to theories whose fermions are in an anomaly-free representation of the gauge group. They also present a related technique for computing matrix elements of operators involving fermion fields. Although the analyses of these methods are couched in weak-coupling perturbation theory, it is argued that computational prescriptions are gauge invariant in the presence of a nonperturbative gauge-field configuration.
Spectroscopy of charmed baryons from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Padmanath, M. [Univ. of Graz (Austria). Inst. of Physics; Edwards, Robert G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Mathur, Nilmani [Tata Institute of Fundamental Research, Bombay (India); Peardon, Michael [Trinity College, Dublin (Ireland)
2015-01-01
We present the ground and excited state spectra of singly, doubly and triply charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6) x O(3) symmetry. Various energy splittings between the extracted states, including splittings due to hyperfine as well as spin-orbit coupling, are considered and those are also compared against similar energy splittings at other quark masses.
Energy Technology Data Exchange (ETDEWEB)
Christiansen, P.L.; Scott, A.C. (Danmarks Tekniske Hoejskole, Lyngby (Denmark)); Muto, V.; Lomdahl, P.S. (Los Alamos National Lab., NM (USA))
1990-01-01
In recent years the possibility that anharmonic excitations could play a role in the dynamics of SNA has been considered by several authors. It has been suggested that solitons may be generated thermally at biological temperatures. The denaturation of the DNA double helix has been investigated by statistical mechanics methods and by dynamical simulations. Here the potential for the hydrogen bond in each base pair is approximated by a Morse potential. In the present paper we describe the Toda lattice model of DNA. Temperature enters via the initial conditions and through a perturbation of the dynamical equations. The model is refined by introduction of transversal motion of the Toda lattice and by transversal coupling of two lattices in the hydrogen bonds present in the base pairs. Using Lennard-Jones potentials to model these bonds we are able to obtain results concerning the open states of DNA at biological temperatures. 39 refs., 7 figs.
Search for H dibaryon on the lattice
Luo, Zhi-Huan; Lin, Qiong-Gui; Liu, Yan
2011-01-01
We investigate the H-dibaryon, an $I(J^{P})=0(0^{+})$ with $s=-2$, in the chiral and continuum regimes on anisotropic lattices in quenched QCD. Simulations are performed on very coarse lattices with refined techniques to obtain results with high accuracy over a spatial lattice spacing in the range of $a_{s} \\sim 0.19 - 0.41$ fm. We present results for the energy difference between the ground state energy of the hexa-quark stranglet and the free two-baryon state from our ensembles. A negative binding energy observed in the chirally extrapolated results leads to the conclusion that the measured hexa-quark state is bound. This is further confirmed by the attractive interaction in the continuum limit with the observed H-dibaryon bound by $\\sim 60$ MeV.
Chiral Perturbation Theory With Lattice Regularization
Ouimet, P P A
2005-01-01
In this work, alternative methods to regularize chiral perturbation theory are discussed. First, Long Distance Regularization will be considered in the presence of the decuplet of the lightest spin 32 baryons for several different observables. This serves motivation and introduction to the use of the lattice regulator for chiral perturbation theory. The mesonic, baryonic and anomalous sectors of chiral perturbation theory will be formulated on a lattice of space time points. The consistency of the lattice as a regulator will be discussed in the context of the meson and baryon masses. Order a effects will also be discussed for the baryon masses, sigma terms and magnetic moments. The work will close with an attempt to derive an effective Wess-Zumino-Witten Lagrangian for Wilson fermions at non-zero a. Following this discussion, there will be a proposal for a phenomenologically useful WZW Lagrangian at non-zero a.
SRB Measures for Lattice Dynamical Systems
Jiang, M
2003-01-01
For weakly coupled expanding maps on the unit circle, Bricmont and Kupiainen showed that the Sinai-Ruelle-Bowen (SRB) measure exists as a Gibbs state. Via thermodynamic formalism, we prove that this SRB measure is indeed the unique equilibrium state for a H\\"older continuous potential function on the infinite dimensional phase space. For a more general class of lattice systems that are small perturbations of the uncoupled map lattice, we present the variational principle, the entropy formula, and the formula for the potential function for the SRB measures. For coupled map lattices with nearest neighbor interactions, we give an explicit formula of the potential function for the SRB measure and consequently, obtain the entropy in terms of coupling parameters.
Lattice Boltzmann model for numerical relativity.
Ilseven, E; Mendoza, M
2016-02-01
In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.
Rozana, Monna; Izza Soaid, Nurul; Kian, Tan Wai; Kawamura, Go; Matsuda, Atsunori; Lockman, Zainovia
2017-04-01
ZrO2 nanotubes (ZrNTs) were produced by anodisation of zirconium foil in H2O2/NH4F/ethylene glycol electrolyte. The as-anodised foils were then soaked in the anodising electrolyte for 12 h. Soaking weakens the adherence of the anodic layer from the substrate resulting in freestanding ZrNTs (FS-ZrNTs). Moreover, the presence of H2O2 in the electrolyte also aids in weakening the adhesion of the film from the foil, as foil anodised in electrolyte without H2O2 has good film adherence. The as-anodised FS-ZrNTs film was amorphous and crystallised to predominantly tetragonal phase upon annealing at >300 °C. Annealing must, however, be done at degrade methyl orange (MO), whereby 82% MO degradation was observed after 5 h, whereas FS-ZrNTs with a mixture of monoclinic and tetragonal degraded 70% of MO after 5 h.
Gasi, Teuta; Nayak, Ajaya K.; Winterlik, Jürgen; Ksenofontov, Vadim; Adler, Peter; Nicklas, Michael; Felser, Claudia
2013-05-01
We report structural, magnetic, and Mössbauer studies of the Heusler compound Mn2FeGa. Theoretical calculations predict that a tetragonal phase in Mn2FeGa could be an interesting candidate for spin torque transfer applications due to the presence of perpendicular magnetic anisotropy. Experimentally, we found that Mn2FeGa crystallizes in a tetragonal structure after annealing at low temperatures (≤400 °C), whereas, it becomes pseudocubic for higher annealing temperatures. The sample annealed at 400 °C shows a high Curie temperature of 650 K and a hard-magnetic behavior. We observed a nonsaturating and exchange-spring type of hysteresis loops, which indicates that the sample contains two different magnetic states. The Mössbauer measurements clearly support the structural and magnetic data. All these properties make the material a potential candidate for spintronic devices, especially in thin films with perpendicular magnetic anisotropy.
Rahman, Gul; Rahman, Altaf Ur
2017-12-01
Thermoelectric properties of cubic (C) and tetragonal (T) BaTiO3 (BTO) and PbTiO3 (PTO) are investigated using density functional theory together with semiclassical Boltzmann's transport theory. Both electron and hole doped BTO and PTO are considered in 300-500 K temperature range. We observed that C-BTO has larger power factor(PF) when doped with holes, whereas n-type carrier concentration in C-PTO has larger PF. Comparing both BTO and PTO, C-PTO has larger figure of merit ZT. Tetragonal distortion reduces the Seebeck coefficient S in n-doped PTO, and the electronic structures revealed that such reduction in S is mainly caused by the increase in the optical band gaps (Γ - Γ and Γ-X).
Feng, Nan
2015-04-30
The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.
Suh, B J
2000-01-01
A comprehensive analysis of the sup 3 sup 5 Cl nuclear magnetic resonance (NMR) relaxation data in Sr sub 2 CuO sub 2 Cl sub 2 single crystals is presented. Both the spin-lattice relaxation rate, T sub 1 sup - sup 1 (=2W), and the spin-spin relaxation rate, T sub 2 sup - sup 1 , show a crossover of the spin dimensionality well above the Neel temperature T sub N. The crossover is due to easy-plane anisotropy and is apparently signaled by the partial suppression of the Cu sup 2 sup + spin fluctuations along the tetragonal c-axis. By analyzing 2W for H ll c in terms of the critical behavior of the spin correlation length, we estimate the temperature for the crossover of the Cu sup 2 sup + spin correlations from Heisenberg to XY-like behavior to be T approx =290 K.
Sequence Folding, Lattice Tiling, and Multidimensional Coding
Etzion, Tuvi
2009-01-01
Folding a sequence $S$ into a multidimensional box is a well-known method which is used as a multidimensional coding technique. The operation of folding is generalized in a way that the sequence $S$ can be folded into various shapes and not just a box. The new definition of folding is based on a lattice tiling for the given shape $\\cS$ and a direction in the $D$-dimensional integer grid. Necessary and sufficient conditions that a lattice tiling for $\\cS$ combined with a direction define a fol...
New lattice action for heavy quarks
Energy Technology Data Exchange (ETDEWEB)
Oktay, Mehmet B.; Kronfeld, Andreas S.
2008-03-01
We extend the Fermilab method for heavy quarks to include interactions of dimension six and seven in the action. There are, in general, many new interactions, but we carry out the calculations needed to match the lattice action to continuum QCD at the tree level, finding six non-zero couplings. Using the heavy-quark theory of cutoff effects, we estimate how large the remaining discretization errors are. We find that our tree-level matching, augmented with one-loop matching of the dimension-five interactions, can bring these errors below 1%, at currently available lattice spacings.
Towards an interoperable International Lattice Datagrid
Energy Technology Data Exchange (ETDEWEB)
G. Beckett; P. Coddington; N. Ishii; B. Joo; D. Melkumyan; R. Ostrowski; D. Pleiter; M. Sato; J. Simone; C. Watson; S. Zhang
2007-11-01
The International Lattice Datagrid (ILDG) is a federation of several regional grids. Since most of these grids have reached production level, an increasing number of lattice scientists start to benefit from this new research infrastructure. The ILDG Middleware Working Group has the task of specifying the ILDG middleware such that interoperability among the different grids is achieved. In this paper we will present the architecture of the ILDG middleware and describe what has actually been achieved in recent years. Particular focus is given to interoperability and security issues. We will conclude with a short overview on issues which we plan to address in the near future.
Topology in dynamical lattice QCD simulations
Energy Technology Data Exchange (ETDEWEB)
Gruber, Florian
2012-08-20
Lattice simulations of Quantum Chromodynamics (QCD), the quantum field theory which describes the interaction between quarks and gluons, have reached a point were contact to experimental data can be made. The underlying mechanisms, like chiral symmetry breaking or the confinement of quarks, are however still not understood. This thesis focuses on topological structures in the QCD vacuum. Those are not only mathematically interesting but also closely related to chiral symmetry and confinement. We consider methods to identify these objects in lattice QCD simulations. Based on this, we explore the structures resulting from different discretizations and investigate the effect of a very strong electromagnetic field on the QCD vacuum.
Shaking the entropy out of a lattice
DEFF Research Database (Denmark)
C. Tichy, Malte; Mølmer, Klaus; F. Sherson, Jacob
2012-01-01
We present a simple and efficient scheme to reduce atom-number fluctuations in optical lattices. The interaction-energy difference for atoms in different vibrational states is used to remove excess atomic occupation. The remaining vacant sites are then filled with atoms by merging adjacent wells......, for which we implement a protocol that circumvents the constraints of unitarity. The preparation of large regions with precisely one atom per lattice site is discussed for both bosons and fermions. The resulting low-entropy Mott-insulating states may serve as high-fidelity register states for quantum...
Automated generation of lattice QCD Feynman rules
Energy Technology Data Exchange (ETDEWEB)
Hart, A.; Mueller, E.H. [Edinburgh Univ. (United Kingdom). SUPA School of Physics and Astronomy; von Hippel, G.M. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Horgan, R.R. [Cambridge Univ. (United Kingdom). DAMTP, CMS
2009-04-15
The derivation of the Feynman rules for lattice perturbation theory from actions and operators is complicated, especially for highly improved actions such as HISQ. This task is, however, both important and particularly suitable for automation. We describe a suite of software to generate and evaluate Feynman rules for a wide range of lattice field theories with gluons and (relativistic and/or heavy) quarks. Our programs are capable of dealing with actions as complicated as (m)NRQCD and HISQ. Automated differentiation methods are used to calculate also the derivatives of Feynman diagrams. (orig.)
Slip systems, lattice rotations and dislocation boundaries
DEFF Research Database (Denmark)
Winther, Grethe
2008-01-01
Plastic deformation by slip induces rotations of the crystallographic lattice and evolution of dislocation structures. Both lattice rotations and dislocation structures exhibit a dependence on the grain orientation, which reflects underlying relations to the slip pattern. Relations between the type...... of dislocation structure formed, in particular the crystallographic alignment of dislocation boundaries, and the slip pattern are demonstrated. These relations are applied to polycrystals deformed in tension and rolling, producing good agreement with experiment for rolling but less good agreement for tension...... of these discrepancies is discussed. Finally, the implications of the relations between slip and dislocation structures for the modelling of mechanical properties are discussed....
Eliminating corner effects in square lattice simulation
Pang, Gang; Ji, Songsong; Yang, Yibo; Tang, Shaoqiang
2017-10-01
Using an alternative source decomposition, we propose new exact boundary conditions on numerical boundary of a square lattice for out-of-plane motion over the whole space. A set of recurrence relations are found for the resulting kernel functions, hence allow their efficient and accurate evaluation with a system of ordinary differential equations. Stability of the boundary conditions is proved rigorously. Numerical results illustrate effective suppression for spurious wave reflection, and elimination of corner effects. This approach may be extended to other lattice structures and in higher dimensions.
An Efficient Lattice-based Distributed IBE
Directory of Open Access Journals (Sweden)
Yin Lu
2016-01-01
Full Text Available This paper improves the lattice-based secret sharing method presented by Bansarkhani and Meziani and combines the method with the IBE based on the standard LWE problem constructing an efficient lattice-based distributed decryption IBE. Our construction avoids the weakness in the traditional method like Lagrange interpolation, Blakley’s space geometry method or Chinese remainder theorem method. Through theoretical analysis, compared with the bilinear pairing based distributed IBE, our scheme refrains from the complex pairing operation and has less calculation cost. A proof of security holds in the standard model.
Jacobi photonic lattices and their SUSY partners.
Zúñiga-Segundo, A; Rodríguez-Lara, B M; Fernández C, David J; Moya-Cessa, H M
2014-01-13
We present a classical analog of quantum optical deformed oscillators in arrays of waveguides. The normal modes of these one-dimensional photonic crystals are given in terms of Jacobi polynomials. We show that it is possible to attack the problem via factorization by exploiting the corresponding quantum optical model. This allows us to provide an unbroken supersymmetric partner of the proposed Jacobi lattices. Thanks to the underlying SU(1, 1) group symmetry of the lattices, we present the analytic propagators and impulse functions for these one-dimensional photonic crystals.
Compactons and chaos in strongly nonlinear lattices
Ahnert, Karsten; Pikovsky, Arkady
2009-02-01
We study localized traveling waves and chaotic states in strongly nonlinear one-dimensional Hamiltonian lattices. We show that the solitary waves are superexponentially localized and present an accurate numerical method allowing one to find them for an arbitrary nonlinearity index. Compactons evolve from rather general initially localized perturbations and collide nearly elastically. Nevertheless, on a long time scale for finite lattices an extensive chaotic state is generally observed. Because of the system’s scaling, these dynamical properties are valid for any energy.
Hadron mass spectrum from lattice QCD.
Majumder, Abhijit; Müller, Berndt
2010-12-17
Finite temperature lattice simulations of quantum chromodynamics (QCD) are sensitive to the hadronic mass spectrum for temperatures below the "critical" temperature T(c) ≈ 160 MeV. We show that a recent precision determination of the QCD trace anomaly shows evidence for the existence of a large number of hadron states beyond those known from experiment. The lattice results are well represented by an exponentially growing mass spectrum up to a temperature T=155 MeV. Using simple parametrizations of the hadron mass spectrum we show how one may estimate the total spectral weight in these yet undermined states.
Perturbative and nonperturbative renormalization in lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Goeckeler, M. [Regensburg Univ. (Germany). Institut fuer Theoretische Physik; Horsley, R. [University of Edinburgh (United Kingdom). School of Physics and Astronomy; Perlt, H. [Leipzig Univ. (DE). Institut fuer Theoretische Physik] (and others)
2010-03-15
We investigate the perturbative and nonperturbative renormalization of composite operators in lattice QCD restricting ourselves to operators that are bilinear in the quark fields (quark-antiquark operators). These include operators which are relevant to the calculation of moments of hadronic structure functions. The nonperturbative computations are based on Monte Carlo simulations with two flavors of clover fermions and utilize the Rome-Southampton method also known as the RI-MOM scheme. We compare the results of this approach with various estimates from lattice perturbation theory, in particular with recent two-loop calculations. (orig.)
The Landau gauge gluon propagator in lattice QCD
Mandula, J. E.; Ogilvie, M.
1987-09-01
A Monte Carlo calculation of the gluon propagator in the Landau gauge in SU(3) lattice gauge theory is described. The results of calculations at β = 5.6 (200 4 3 × 8 lattices), β = 5.8 (400 4 3 × 10 lattices and 100 6 3 × 12 lattices), and β = 6.0 (100 4 3 × 8 lattices) indicate that the gluon propagator resembles a massive particle propagator in which the mass grows with separation. At the largest distances accessible with these lattices, the mass is about 600 MeV.
The analyzation of 2D complicated regular polygon photonic lattice
Lv, Jing; Gao, Yuanmei
2017-06-01
We have numerically simulated the light intensity distribution, phase distribution, far-field diffraction of the two dimensional (2D) regular octagon and regular dodecagon lattices in detail. In addition, using the plane wave expansion (PWE) method, we numerically calculate the energy band of the two lattices. Both of the photonic lattices have the band gap. And the regular octagon lattice possesses the wide complete band gap while the regular dodecagon lattice has the incomplete gap. Moreover, we simulated the preliminary transmission image of photonic lattices. It may inspire the academic research both in light control and soliton.
Foos, K
2000-01-01
given above. YBa-2Cu-3O-x (concentrations x between 6 and 7) has a tetragonal and a number of orthorhombic structures that correspond to different oxygen configurations in the Cu(1) planes. The oxygen atoms in these planes occupy two types of interstitial sites. In the tetragonal phase, both types of sites are occupied with same probability, whereas the occupation probabilities differ in the orthorhombic phases. Thus the tetragonal-to-orthorhombic phase transition is combined with an disorder-to-order transition. It is, at least above 600 K, of second order. At the transition the amplitude and the correlation time of the fluctuations of the oxygen configuration should diverge. This macroscopic yields ferroelastic behavior and critical slowing-down of the inelastic relaxation rate, respectively. This work gives evidences for this behavior. We studied energy dissipation and elastic modulus behavior of YBa-2Cu-3O-x samples by mechanical spectroscopy (temperatures from 400 to 1000 K, vibrating reed technique, fre...
Energy Technology Data Exchange (ETDEWEB)
Bernert, Thomas; Krech, Daniel; Felderhoff, Michael; Weidenthaler, Claudia [Department of Heterogeneous Catalysis, Max-Planck-Institut fuer Kohlenforschung, Muelheim/Ruhr (Germany); Kockelmann, Winfried [Rutherford Appleton Laboratory, Harwell Oxford, Didcot (United Kingdom); Frankcombe, Terry J. [Research School of Chemistry, The Australian National University, Canberra, ACT (Australia); School of Physical, Environmental and Mathematic Sciences, The University of New South Wales, Canberra, ACT (Australia)
2015-11-15
The crystal structures of orthorhombic and tetragonal CsAlD{sub 4} were refined from time-of-flight neutron powder diffraction data starting from atomic positions predicted from DFT calculations. The earlier proposed crystal structure of orthorhombic CsAlH{sub 4} is confirmed. For tetragonal CsAlH{sub 4}, DFT calculations predicted a crystal structure in I4{sub 1}/amd as potential minimum structure, while from neutron diffraction studies of CsAlD{sub 4} best refinement is obtained for a disordered structure in the space group I4{sub 1}/a, with a = 5.67231(9) Aa, c = 14.2823(5) Aa. While the caesium atoms are located on the Wyckoff position 4b and aluminium at Wyckoff position 4a, there are two distinct deuterium positions at the Wyckoff position 16f with occupancies of 50 % each. From this structure, the previously reported phase transition between the orthorhombic and tetragonal polymorphs could be explained. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Zheng Wen Chen; Wu Shao Yi; Tang Sheng
2003-01-01
The EPR parameters (g factors g sub p sub a sub r sub a sub l sub l sub e sub l , g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r sub t sub o and hyperfine structure constants A sub p sub a sub r sub a sub l sub l sub e sub l , A sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r sub t sub o) of a tetragonal (C sub 4 sub v) Sm sup 3 sup + center in CaF sub 2 and SrF sub 2 crystals are calculated by considering the crystal-field J-mixing among the ground sup 6 H sub 5 sub / sub 2 , the first excited sup 6 H sub 7 sub / sub 2 and second excited sup 6 H sub 9 sub / sub 2 state multiplets. In the calculations the free-ion and crystal-field parameters of the tetragonal Sm sup 3 sup + -F sup - center obtained from polarized laser-selective excitation spectroscopy are used. The calculated results suggest that the tetragonal Sm sup 3 sup + -F sup - center is the Sm sup 3 sup + center found by later EPR measurements. The g factors g sub p sub a sub r sub a sub...
Fuel lattice design using heuristics and new strategies
Energy Technology Data Exchange (ETDEWEB)
Ortiz S, J. J.; Castillo M, J. A.; Torres V, M.; Perusquia del Cueto, R. [ININ, Carretera Mexico-Toluca s/n, Ocoyoacac 52750, Estado de Mexico (Mexico); Pelta, D. A. [ETS Ingenieria Informatica y Telecomunicaciones, Universidad de Granada, Daniel Saucedo Aranda s/n, 18071 Granada (Spain); Campos S, Y., E-mail: juanjose.ortiz@inin.gob.m [IPN, Escuela Superior de Fisica y Matematicas, Unidad Profesional Adolfo Lopez Mateos, Edif. 9, 07738 Mexico D. F. (Mexico)
2010-10-15
This work show some results of the fuel lattice design in BWRs when some allocation pin rod rules are not taking into account. Heuristics techniques like Path Re linking and Greedy to design fuel lattices were used. The scope of this work is to search about how do classical rules in design fuel lattices affect the heuristics techniques results and the fuel lattice quality. The fuel lattices quality is measured by Power Peaking Factor and Infinite Multiplication Factor at the beginning of the fuel lattice life. CASMO-4 code to calculate these parameters was used. The analyzed rules are the following: pin rods with lowest uranium enrichment are only allocated in the fuel lattice corner, and pin rods with gadolinium cannot allocated in the fuel lattice edge. Fuel lattices with and without gadolinium in the main diagonal were studied. Some fuel lattices were simulated in an equilibrium cycle fuel reload, using Simulate-3 to verify their performance. So, the effective multiplication factor and thermal limits can be verified. The obtained results show a good performance in some fuel lattices designed, even thought, the knowing rules were not implemented. A fuel lattice performance and fuel lattice design characteristics analysis was made. To the realized tests, a dell workstation was used, under Li nux platform. (Author)
Lattice Gauge Field Theory and Prismatic Sets
DEFF Research Database (Denmark)
Akyar, Bedia; Dupont, Johan Louis
as and in particular the latter we use to study lattice gauge theory in the sense of Phillips and Stone. Thus for a Lie group and a set of parallel transport functions defining the transition over faces of the simplices, we define a classifying map from the prismatic star to a prismatic version of the classifying...
Radiative Transitions in Charmonium from Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Jozef Dudek; Robert Edwards; David Richards
2006-01-17
Radiative transitions between charmonium states offer an insight into the internal structure of heavy-quark bound states within QCD. We compute, for the first time within lattice QCD, the transition form-factors of various multipolarities between the lightest few charmonium states. In addition, we compute the experimentally unobservable, but physically interesting vector form-factors of the {eta}{sub c}, J/{psi} and {chi}{sub c0}. To this end we apply an ambitious combination of lattice techniques, computing three-point functions with heavy domain wall fermions on an anisotropic lattice within the quenched approximation. With an anisotropy {xi} = 3 at a{sub s} {approx} 0.1 fm we find a reasonable gross spectrum and a hyperfine splitting {approx}90 MeV, which compares favorably with other improved actions. In general, after extrapolation of lattice data at non-zero Q{sup 2} to the photopoint, our results agree within errors with all well measured experimental values. Furthermore, results are compared with the expectations of simple quark models where we find that many features are in agreement; beyond this we propose the possibility of constraining such models using our extracted values of physically unobservable quantities such as the J/{psi} quadrupole moment. We conclude that our methods are successful and propose to apply them to the problem of radiative transitions involving hybrid mesons, with the eventual goal of predicting hybrid meson photoproduction rates at the GlueX experiment.
Lattice QCD with strong external electric fields
Yamamoto, Arata
2012-01-01
We study particle generation by a strong electric field in lattice QCD. To avoid the sign problem of the Minkowskian electric field, we adopt the "isospin" electric charge. When a strong electric field is applied, the insulating vacuum is broken down and pairs of charged particles are produced by the Schwinger mechanism. The competition against the color confining force is also discussed.
Topological states in engineered atomic lattices
Drost, Robert; Ojanen, Teemu; Harju, Ari; Liljeroth, Peter
2017-07-01
Topological materials exhibit protected edge modes that have been proposed for applications in, for example, spintronics and quantum computation. Although a number of such systems exist, it would be desirable to be able to test theoretical proposals in an artificial system that allows precise control over the key parameters of the model. The essential physics of several topological systems can be captured by tight-binding models, which can also be implemented in artificial lattices. Here, we show that this method can be realized in a vacancy lattice in a chlorine monolayer on a Cu(100) surface. We use low-temperature scanning tunnelling microscopy (STM) to fabricate such lattices with atomic precision and probe the resulting local density of states (LDOS) with scanning tunnelling spectroscopy (STS). We create analogues of two tight-binding models of fundamental importance: the polyacetylene (dimer) chain with topological domain-wall states, and the Lieb lattice with a flat electron band. These results provide an important step forward in the ongoing effort to realize designer quantum materials with tailored properties.
On Vertex Identifying Codes For Infinite Lattices
Stanton, Brendon
2011-01-01
PhD Thesis--A compilation of the papers: "Lower Bounds for Identifying Codes in Some Infinite Grids", "Improved Bounds for r-identifying Codes of the Hex Grid", and "Vertex Identifying Codes for the n-dimensional Lattics" along with some other results
THE EARLY DAYS OF LATTICE GAUGE THEORY.
Energy Technology Data Exchange (ETDEWEB)
CREUTZ,M.
2003-06-09
I discuss some of the historical circumstances that drove us to use the lattice as a non-perturbative regulator. This approach has had immense success, convincingly demonstrating quark confinement and obtaining crucial properties of the strong interactions from first principles. I wrap up with some challenges for the future.
Multifractal behaviour of Т-simplex lattice
Indian Academy of Sciences (India)
Abstract. We study the asymptotic behaviour of resistance scaling and fluctuation of resistance that give rise to flicker noise in an n-simplex lattice. We propose a simple method to calculate the resistance scaling and give a closed-form formula to calculate the exponent, βl, associated with resistance scaling, for any n.
Multifractal behaviour of в-simplex lattice
Indian Academy of Sciences (India)
We study the asymptotic behaviour of resistance scaling and ﬂuctuation of resistance that give rise to ﬂicker noise in an -simplex lattice. We propose a simple method to calculate the resistance scaling and give a closed-form formula to calculate the exponent, , associated with resistance scaling, for any . Using current ...
Dark Matter, the MCSSM and lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Joel Giedt, Anthony Thomas, Ross Young
2009-11-01
Recent lattice measurements have given accurate estimates of the quark condensates in the proton. We use these results to significantly improve the dark matter predictions in benchmark models within the constrained minimal supersymmetric standard model. The predicted spin-independent cross sections are at least an order of magnitude smaller than previously suggested and our results have significant consequences for dark matter searches.
Recent advances in lattice gauge theories
Indian Academy of Sciences (India)
Recent progress in the ﬁeld of lattice gauge theories is brieﬂy reviewed for a nonspecialist audience. While the emphasis is on the latest and more deﬁnitive results that have emerged prior to this symposium, an effort has been made to provide them with minimal technicalities.
A lattice model for influenza spreading.
Directory of Open Access Journals (Sweden)
Antonella Liccardo
Full Text Available We construct a stochastic SIR model for influenza spreading on a D-dimensional lattice, which represents the dynamic contact network of individuals. An age distributed population is placed on the lattice and moves on it. The displacement from a site to a nearest neighbor empty site, allows individuals to change the number and identities of their contacts. The dynamics on the lattice is governed by an attractive interaction between individuals belonging to the same age-class. The parameters, which regulate the pattern dynamics, are fixed fitting the data on the age-dependent daily contact numbers, furnished by the Polymod survey. A simple SIR transmission model with a nearest neighbors interaction and some very basic adaptive mobility restrictions complete the model. The model is validated against the age-distributed Italian epidemiological data for the influenza A(H1N1 during the [Formula: see text] season, with sensible predictions for the epidemiological parameters. For an appropriate topology of the lattice, we find that, whenever the accordance between the contact patterns of the model and the Polymod data is satisfactory, there is a good agreement between the numerical and the experimental epidemiological data. This result shows how rich is the information encoded in the average contact patterns of individuals, with respect to the analysis of the epidemic spreading of an infectious disease.
Dynamical Defects in Rotating Magnetic Skyrmion Lattices.
Pöllath, S; Wild, J; Heinen, L; Meier, T N G; Kronseder, M; Tutsch, L; Bauer, A; Berger, H; Pfleiderer, C; Zweck, J; Rosch, A; Back, C H
2017-05-19
The chiral magnet Cu_{2}OSeO_{3} hosts a Skyrmion lattice that may be equivalently described as a superposition of plane waves or a lattice of particlelike topological objects. A thermal gradient may break up the Skyrmion lattice and induce rotating domains, raising the question of which of these scenarios better describes the violent dynamics at the domain boundaries. Here, we show that in an inhomogeneous temperature gradient caused by illumination in a Lorentz transmission electron microscope different parts of the Skyrmion lattice can be set into motion with different angular velocities. Tracking the time dependence, we show that the constant rearrangement of domain walls is governed by dynamic 5-7 defects arranging into lines. An analysis of the associated defect density is described by Frank's equation and agrees well with classical 2D Monte Carlo simulations. Fluctuations of boundaries show a surgelike rearrangement of Skyrmion clusters driven by defect rearrangement consistent with simulations treating Skyrmions as point particles. Our findings underline the particle character of the Skyrmion.
Probing hadron wave functions in Lattice QCD
Alexandrou, C; Tsapalis, A; Forcrand, Ph. de
2002-01-01
Gauge-invariant equal-time correlation functions are calculated in lattice QCD within the quenched approximation and with two dynamical quark species. These correlators provide information on the shape and multipole moments of the pion, the rho, the nucleon and the $\\Delta$.
Dislocations in stripes and lattice Dirac fermions
Mesaroš, Andrej
2010-01-01
The central topic in this thesis is the effect of topological defects in two distinct types of condensed matter systems. The first type consists of graphene and topological insulators. By studying the long-range effect of lattice defects (dislocations and disclinations) we find that the graphene
Lattice Multiplication in a Preservice Classroom
Nugent, Patricia M.
2007-01-01
This article discusses the algorithm for multiplication that is referred to as lattice multiplication. Evidence of how the author's preservice students' conceptual understanding of the algorithm grew through the semester is given. In addition, the author extends the conceptualization of the algorithm from the multiplication of whole numbers to the…
Frontiers of finite temperature lattice QCD
Directory of Open Access Journals (Sweden)
Borsányi Szabolcs
2017-01-01
Full Text Available I review a selection of recent finite temperature lattice results of the past years. First I discuss the extension of the equation of state towards high temperatures and finite densities, then I show recent results on the QCD topological susceptibility at high temperatures and highlight its relevance for dark matter search.
Mechanical cloak design by direct lattice transformation
Bückmann, Tiemo; Kadic, Muamer; Schittny, Robert; Wegener, Martin
2015-01-01
Spatial coordinate transformations have helped simplifying mathematical issues and solving complex boundary-value problems in physics for decades already. More recently, material-parameter transformations have also become an intuitive and powerful engineering tool for designing inhomogeneous and anisotropic material distributions that perform wanted functions, e.g., invisibility cloaking. A necessary mathematical prerequisite for this approach to work is that the underlying equations are form invariant with respect to general coordinate transformations. Unfortunately, this condition is not fulfilled in elastic–solid mechanics for materials that can be described by ordinary elasticity tensors. Here, we introduce a different and simpler approach. We directly transform the lattice points of a 2D discrete lattice composed of a single constituent material, while keeping the properties of the elements connecting the lattice points the same. After showing that the approach works in various areas, we focus on elastic–solid mechanics. As a demanding example, we cloak a void in an effective elastic material with respect to static uniaxial compression. Corresponding numerical calculations and experiments on polymer structures made by 3D printing are presented. The cloaking quality is quantified by comparing the average relative SD of the strain vectors outside of the cloaked void with respect to the homogeneous reference lattice. Theory and experiment agree and exhibit very good cloaking performance. PMID:25848021
Antiferromagnetic noise correlations in optical lattices
DEFF Research Database (Denmark)
Bruun, Niels Bohr International Academy, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark, Georg Morten; Syljuåsen, F. T.; Pedersen, K. G. L.
2009-01-01
We analyze how noise correlations probed by time-of-flight experiments reveal antiferromagnetic (AF) correlations of fermionic atoms in two-dimensional and three-dimensional optical lattices. Combining analytical and quantum Monte Carlo calculations using experimentally realistic parameters, we s...
Optimal control of Rydberg lattice gases
DEFF Research Database (Denmark)
Cui, Jian; Bijnen, Rick van; Pohl, Thomas
2017-01-01
We present optimal control protocols to prepare different many-body quantum states of Rydberg atoms in optical lattices. Specifically, we show how to prepare highly ordered many-body ground states, GHZ states as well as some superposition of symmetric excitation number Fock states, that inherit...
Thermoelectric properties of finite graphene antidot lattices
DEFF Research Database (Denmark)
Gunst, Tue; Markussen, Troels; Jauho, Antti-Pekka
2011-01-01
We present calculations of the electronic and thermal transport properties of graphene antidot lattices with a finite length along the transport direction. The calculations are based on the π-tight-binding model and the Brenner potential. We show that both electronic and thermal transport...
Nonlinear dynamics of bistable lattices with defects
Hwang, Myungwon; Arrieta, Andres F.
2017-04-01
Heterogeneity in a lattice system has gained continued attention from researchers due to its ability to support interesting localized dynamics and engineering applications. Most studies on the influence of the defects have been done in a one-dimensional monoatomic chain with both linear and nonlinear interactions. However, analysis of defect dynamics in a lattice under on-site potential is still a rare finding. Recently, extreme wave propagation has been demonstrated theoretically and experimentally on a bi-stable lattice with magnetic inter-site force, featuring quartic on-site potential. In this work, the nonlinear dynamics of introducing engineered defects in the form of mass impurities and inter-site forcing disparities on lattices of bi-stable elements are studied. We investigate the effect of the defect presence on the local wave propagation speed and identify the critical conditions that governs the stable propagation of transition waves. With the control of damping, we further observe a special satellite region, where stable transition of wave with intermediate jumps between the stable states of the local unit cell occurs.
On the lattice rotations accompanying slip
DEFF Research Database (Denmark)
Wronski, M.; Wierzbanowski, K.; Leffers, Torben
2013-01-01
The texture (crystallographic texture) of a polycrystalline material is the statistical representation of the preferred orientation of the crystal lattices in the various grains. The great majority of the materials that we encounter do have a texture, some degree of preferred orientation of the c...
Visualization Tools for Lattice QCD - Final Report
Energy Technology Data Exchange (ETDEWEB)
Massimo Di Pierro
2012-03-15
Our research project is about the development of visualization tools for Lattice QCD. We developed various tools by extending existing libraries, adding new algorithms, exposing new APIs, and creating web interfaces (including the new NERSC gauge connection web site). Our tools cover the full stack of operations from automating download of data, to generating VTK files (topological charge, plaquette, Polyakov lines, quark and meson propagators, currents), to turning the VTK files into images, movies, and web pages. Some of the tools have their own web interfaces. Some Lattice QCD visualization have been created in the past but, to our knowledge, our tools are the only ones of their kind since they are general purpose, customizable, and relatively easy to use. We believe they will be valuable to physicists working in the field. They can be used to better teach Lattice QCD concepts to new graduate students; they can be used to observe the changes in topological charge density and detect possible sources of bias in computations; they can be used to observe the convergence of the algorithms at a local level and determine possible problems; they can be used to probe heavy-light mesons with currents and determine their spatial distribution; they can be used to detect corrupted gauge configurations. There are some indirect results of this grant that will benefit a broader audience than Lattice QCD physicists.
A study of microtubule dipole lattices
Nandi, Shubhendu
Microtubules are cytoskeletal protein polymers orchestrating a host of important cellular functions including, but not limited to, cell support, cell division, cell motility and cell transport. In this thesis, we construct a toy-model of the microtubule lattice composed of vector Ising spins representing tubulin molecules, the building block of microtubules. Nearest-neighbor and next-to-nearest neighbor interactions are considered within an anisotropic dielectric medium. As a consequence of the helical topology, we observe that certain spin orientations render the lattice frustrated with nearest neighbor ferroelectric and next-to-nearest neighbor antiferroelectric bonds. Under these conditions, the lattice displays the remarkable property of stabilizing certain spin patterns that are robust to thermal fluctuations. We model this behavior in the framework of a generalized Ising model known as the J1 - J2 model and theoretically determine the set of stable patterns. Employing Monte-Carlo methods, we demonstrate the stability of such patterns in the microtubule lattice at human physiological temperatures. This suggests a novel biological mechanism for storing information in living organisms, whereby the tubulin spin (dipole moment) states become information bits and information gets stored in microtubules in a way that is robust to thermal fluctuations.
Dynamical thermalization of disordered nonlinear lattices
Mulansky, Mario; Ahnert, Karsten; Pikovsky, Arkady; Shepelyansky, Dima L.
2009-11-01
We study numerically how the energy spreads over a finite disordered nonlinear one-dimensional lattice, where all linear modes are exponentially localized by disorder. We establish emergence of dynamical thermalization characterized as an ergodic chaotic dynamical state with a Gibbs distribution over the modes. Our results show that the fraction of thermalizing modes is finite and grows with the nonlinearity strength.
Lattice calculus of the morphological slope transform
H.J.A.M. Heijmans (Henk); P. Maragos
1995-01-01
textabstractThis paper presents a study of the morphological slope transform in the complete lattice framework. It discusses in detail the interrelationships between the slope transform at one hand and the (Young-Fenchel) conjugate and Legendre transform, two well-known concepts from convex
Künneth, Christopher; Materlik, Robin; Kersch, Alfred
2017-05-01
Size effects from surface or interface energy play a pivotal role in stabilizing the ferroelectric phase in recently discovered thin film Zirconia-Hafnia. However, sufficient quantitative understanding has been lacking due to the interference with the stabilizing effect from dopants. For the important class of undoped Hf1-xZrxO2, a phase stability model based on free energy from Density functional theory (DFT) and surface energy values adapted to the sparse experimental and theoretical data has been successful to describe key properties of the available thin film data. Since surfaces and interfaces are prone to interference, the predictive capability of the model is surprising and directs to a hitherto undetected, underlying reason. New experimental data hint on the existence of an interlayer on the grain surface fixed in the tetragonal phase possibly shielding from external influence. To explore the consequences of such a mechanism, we develop an interface free energy model to include the fixed interlayer, generalize the grain model to include a grain radius distribution, calculate average polarization and permittivity, and compare the model with available experimental data. Since values for interface energies are sparse or uncertain, we obtain its values from minimizing the least square difference between predicted key parameters to experimental data in a global optimization. Since the detailed values for DFT energies depend on the chosen method, we repeat the search for different computed data sets and come out with quantitatively different but qualitatively consistent values for interface energies. The resulting values are physically very reasonable and the model is able to give qualitative prediction. On the other hand, the optimization reveals that the model is not able to fully capture the experimental data. We discuss possible physical effects and directions of research to possibly close this gap.
Yang, Zhanjun; Tang, Yan; Li, Juan; Zhang, Yongcai; Hu, Xiaoya
2014-04-15
A tetragonal columnar-shaped TiO2 (TCS-TiO2) nanorods are synthesized via a facile route for the immobilization of glucose oxidase (GOx). A novel electrochemical glucose biosensor is constructed based on the direct electrochemistry of GOx at TCS-TiO2 modified glassy carbon electrode. The fabricated biosensor is characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, electrochemical impedance spectra and cyclic voltammetry. The immobilized enzyme molecules on TCS-TiO2 nanorods retain its native structure and bioactivity and show a surface controlled, quasi-reversible and fast electron transfer process. The TCS-TiO2 nanorods have large surface area and provide a favorable microenvironment for enhancing the electron transfer between enzyme and electrode surface. The constructed glucose biosensor shows wide linear range from 5.0×10(-6) to 1.32×10(-3) M with a high sensitivity of 23.2 mA M(-1) cm(-2). The detection limit is calculated to be 2.0×10(-6) M at signal-to-noise of 3. The proposed glucose biosensor also exhibits excellent selectivity, good reproducibility, and acceptable operational stability. Furthermore, the biosensor can be successfully applied in the detection of glucose in serum sample at the applied potential of -0.50 V. The TCS-TiO2 nanorods provide an efficient and promising platform for the immobilization of proteins and development of excellent biosensors. © 2013 Published by Elsevier B.V.
Genetics Home Reference: lattice corneal dystrophy type I
... corneal dystrophy type I lattice corneal dystrophy type I Printable PDF Open All Close All Enable Javascript ... expand/collapse boxes. Description Lattice corneal dystrophy type I is an eye disorder that affects the clear, ...
Perturbative study of interacting photons in open lattices
Li, Andy C. Y.; Petruccione, Francesco; Koch, Jens
2015-03-01
Quantum simulation realized in the circuit QED architecture is an emerging direction to study many-body physics in open lattice systems. Among several models of interacting photons, the driven-dissipative Jaynes-Cummings (JC) lattice is commonly employed to investigate the steady-state and dynamical behavior. While there is a wealth of analytical and numerical tools applicable to closed lattice systems in thermal equilibrium, the number of methods to treat open lattice systems is rather limited. Hence, many properties of open lattices remain an open question. Here, we formulate a general perturbation theory and an infinite-order resummation scheme applicable to open lattices. We then apply this theory to the driven-dissipative JC lattices to predict steady-state expectation values. This allows us to explore the rich features due to photon-qubit interaction and compare results obtained for finite chains and infinite lattices.
Variable-coefficient nonisospectral Toda lattice hierarchy and its ...
Indian Academy of Sciences (India)
coefficient nonisospectral Toda lattice hierarchy; exact solution; compatibility condition; inverse scattering transformation. ... In order to solve the derived Toda lattice hierarchy, the inverse scattering transformation is utilized. As a result, new and ...
APS-U LATTICE DESIGN FOR OFF-AXIS ACCUMULATION
Energy Technology Data Exchange (ETDEWEB)
Sun, Yipeng; Borland, M.; Lindberg, R.; Sajaev, V.
2017-06-25
A 67-pm hybrid-seven-bend achromat (H7BA) lattice is being proposed for a future Advanced Photon Source (APS) multi-bend-achromat (MBA) upgrade project. This lattice design pushes for smaller emittance and requires use of a swap-out (on-axis) injection scheme due to limited dynamic acceptance. Alternate lattice design work has also been performed for the APS upgrade to achieve better beam dynamics performance than the nominal APS MBA lattice, in order to allow off-axis accumulation. Two such alternate H7BA lattice designs, which target a still-low emittance of 90 pm, are discussed in detail in this paper. Although the single-particle-dynamics performance is good, simulations of collective effects indicate that surprising difficulty would be expected accumulating high single-bunch charge in this lattice. The brightness of the 90-pm lattice is also a factor of two lower than the 67-pm H7BA lattice.
Program LATTICE for Calculation of Parameters of Targets with Heterogeneous (Lattice) Structure
Bznuni, S A; Soloviev, A G; Sosnin, A N
2002-01-01
Program LATTICE, with which help it is possible to describe lattice structure for the program complex CASCAD, is created in the C++ language. It is shown that for model-based electronuclear system on a basis of molten salt reactor with graphite moderator at transition from homogeneous structure to heterogeneous at preservation of a chemical compound there is a growth of k_{eff} by approximately 6 %.
Information flow between weakly interacting lattices of coupled maps
Energy Technology Data Exchange (ETDEWEB)
Dobyns, York [PEAR, Princeton University, Princeton, NJ 08544-5263 (United States); Atmanspacher, Harald [Institut fuer Grenzgebiete der Psychologie und Psychohygiene, Wilhelmstr. 3a, 79098 Freiburg (Germany)]. E-mail: haa@igpp.de
2006-05-15
Weakly interacting lattices of coupled maps can be modeled as ordinary coupled map lattices separated from each other by boundary regions with small coupling parameters. We demonstrate that such weakly interacting lattices can nevertheless have unexpected and striking effects on each other. Under specific conditions, particular stability properties of the lattices are significantly influenced by their weak mutual interaction. This observation is tantamount to an efficacious information flow across the boundary.
Two Dimensional Lattice Boltzmann Method for Cavity Flow Simulation
Panjit MUSIK; Krisanadej JAROENSUTASINEE
2004-01-01
This paper presents a simulation of incompressible viscous flow within a two-dimensional square cavity. The objective is to develop a method originated from Lattice Gas (cellular) Automata (LGA), which utilises discrete lattice as well as discrete time and can be parallelised easily. Lattice Boltzmann Method (LBM), known as discrete Lattice kinetics which provide an alternative for solving the Navier–Stokes equations and are generally used for fluid simulation, is chosen for the study. A spec...
Hadronic vacuum polarization contribution to g-2 from the lattice
Energy Technology Data Exchange (ETDEWEB)
Feng, X. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Petschlies, M. [The Cyprus Institute, Nicosia (Cyprus); Renner, D. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)
2011-12-15
We give a short description of the present situation of lattice QCD simulations. We then focus on the computation of the anomalous magnetic moment of the muon using lattice techniques. We demonstrate that by employing improved observables for the muon anomalous magnetic moment, a significant reduction of the lattice error can be obtained. This provides a promising scenario that the accuracy of lattice calculations can match the experimental errors. (orig.)
Hadronic Vacuum Polarization Contribution to g-2 from the Lattice
Energy Technology Data Exchange (ETDEWEB)
Dru Renner, Xu Feng, Marcus Petschlies, Karl Jansen
2012-05-01
We give a short description of the present situation of lattice QCD simulations. We then focus on the computation of the anomalous magnetic moment of the muon using lattice techniques. We demonstrate that by employing improved observables for the muon anomalous magnetic moment, a significant reduction of the lattice error can be obtained. This provides a promising scenario that the accuracy of lattice calculations can match the experimental errors.
Quantum theory of cold bosonic atoms in optical lattices
Tilahun, T.; Duine, R.A.; MacDonald, A.H.
2011-01-01
Ultracold atoms in optical lattices undergo a quantum phase transition from a superfluid to a Mott insulator as the lattice potential depth is increased. We describe an approximate theory of interacting bosons in optical lattices which provides a qualitative description of both superfluid and
An Active Lattice Model in a Bayesian Framework
DEFF Research Database (Denmark)
Carstensen, Jens Michael
1996-01-01
A Markov Random Field is used as a structural model of a deformable rectangular lattice. When used as a template prior in a Bayesian framework this model is powerful for making inferences about lattice structures in images. The model assigns maximum probability to the perfect regular lattice by p...
Reorientations, relaxations, metastabilities, and multidomains of skyrmion lattices
Bannenberg, L.J.; Qian, F.; Dalgliesh, R. M.; Martin, N; Chaboussant, G.; Schmidt, M; Schlagel, D. L.; Lograsso, T. A.; Wilhelm, H; Pappas, C.
2017-01-01
Magnetic skyrmions are nanosized topologically protected spin textures with particlelike properties. They can form lattices perpendicular to the magnetic field, and the orientation of these skyrmion lattices with respect to the crystallographic lattice is governed by spin-orbit coupling. By
Multispeed models in off-lattice Boltzmann simulations
Bardow, A.; Karlin, I.V.; Gusev, A.A.
2008-01-01
The lattice Boltzmann method is a highly promising approach to the simulation of complex flows. Here, we realize recently proposed multispeed lattice Boltzmann models [S. Chikatamarla et al., Phys. Rev. Lett. 97 190601 (2006)] by exploiting the flexibility offered by off-lattice Boltzmann methods.
Random elements on lattices: Review and statistical applications
Potocký, Rastislav; Villarroel, Claudia Navarro; Sepúlveda, Maritza; Luna, Guillermo; Stehlík, Milan
2017-07-01
We discuss important contributions to random elements on lattices. We relate to both algebraic and probabilistic properties. Several applications and concepts are discussed, e.g. positive dependence, Random walks and distributions on lattices, Super-lattices, learning. The application to Chilean Ecology is given.
Precision Light Flavor Physics from Lattice QCD
Murphy, David
In this thesis we present three distinct contributions to the study of light flavor physics using the techniques of lattice QCD. These results are arranged into four self-contained papers. The first two papers concern global fits of the quark mass, lattice spacing, and finite volume dependence of the pseudoscalar meson masses and decay constants, computed in a series of lattice QCD simulations, to partially quenched SU(2) and SU(3) chiral perturbation theory (chiPT). These fits determine a subset of the low energy constants of chiral perturbation theory -- in some cases with increased precision, and in other cases for the first time -- which, once determined, can be used to compute other observables and amplitudes in chiPT. We also use our formalism to self-consistently probe the behavior of the (asymptotic) chiral expansion as a function of the quark masses by repeating the fits with different subsets of the data. The third paper concerns the first lattice QCD calculation of the semileptonic K0 → pi-l +nul ( Kl3) form factor at vanishing momentum transfer, f+Kpi(0), with physical mass domain wall quarks. The value of this form factor can be combined with a Standard Model analysis of the experimentally measured K0 → pi -l+nu l decay rate to extract a precise value of the Cabibbo-Kobayashi-Maskawa (CKM) matrix element Vus, and to test unitarity of the CKM matrix. We also discuss lattice calculations of the pion and kaon decay constants, which can be used to extract Vud through an analogous Standard Model analysis of experimental constraints on leptonic pion and kaon decays. The final paper explores the recently proposed exact one flavor algorithm (EOFA). This algorithm has been shown to drastically reduce the memory footprint required to simulate single quark flavors on the lattice relative to the widely used rational hybrid Monte Carlo (RHMC) algorithm, while also offering modest O(20%) speed-ups. We independently derive the exact one flavor action, explore its
Wilson Dslash Kernel From Lattice QCD Optimization
Energy Technology Data Exchange (ETDEWEB)
Joo, Balint [Jefferson Lab, Newport News, VA; Smelyanskiy, Mikhail [Parallel Computing Lab, Intel Corporation, California, USA; Kalamkar, Dhiraj D. [Parallel Computing Lab, Intel Corporation, India; Vaidyanathan, Karthikeyan [Parallel Computing Lab, Intel Corporation, India
2015-07-01
Lattice Quantum Chromodynamics (LQCD) is a numerical technique used for calculations in Theoretical Nuclear and High Energy Physics. LQCD is traditionally one of the first applications ported to many new high performance computing architectures and indeed LQCD practitioners have been known to design and build custom LQCD computers. Lattice QCD kernels are frequently used as benchmarks (e.g. 168.wupwise in the SPEC suite) and are generally well understood, and as such are ideal to illustrate several optimization techniques. In this chapter we will detail our work in optimizing the Wilson-Dslash kernels for Intel Xeon Phi, however, as we will show the technique gives excellent performance on regular Xeon Architecture as well.
Generalized Thermalization in an Integrable Lattice System
Cassidy, Amy C.; Clark, Charles W.; Rigol, Marcos
2011-04-01
After a quench, observables in an integrable system may not relax to the standard thermal values, but can relax to the ones predicted by the generalized Gibbs ensemble (GGE) [M. Rigol et al., Phys. Rev. Lett. 98, 050405 (2007)PRLTAO0031-900710.1103/PhysRevLett.98.050405]. The GGE has been shown to accurately describe observables in various one-dimensional integrable systems, but the origin of its success is not fully understood. Here we introduce a microcanonical version of the GGE and provide a justification of the GGE based on a generalized interpretation of the eigenstate thermalization hypothesis, which was previously introduced to explain thermalization of nonintegrable systems. We study relaxation after a quench of one-dimensional hard-core bosons in an optical lattice. Exact numerical calculations for up to 10 particles on 50 lattice sites (≈1010 eigenstates) validate our approach.
Quantum nonlinear lattices and coherent state vectors
DEFF Research Database (Denmark)
Ellinas, Demosthenes; Johansson, M.; Christiansen, Peter Leth
1999-01-01
for the CSV parameters. The so obtained evolution equations are intimately related to the respective evolution equations for the classical lattices, provided we account for the ordering rules (normal, symmetric) adopted for their quantization. Analysing the geometrical content of the factorization ansatz made......Quantized nonlinear lattice models are considered for two different classes, boson and fermionic ones. The quantum discrete nonlinear Schrodinger model (DNLS) is our main objective, but its so called modified discrete nonlinear (MDNLS) version is also included, together with the fermionic polaron...... (FP) model. Based on the respective dynamical symmetries of the models, a method is put forward which by use of the associated boson and spin coherent state vectors (CSV) and a factorization ansatz for the solution of the Schrodinger equation, leads to quasiclassical Hamiltonian equations of motion...
NMR-based diffusion lattice imaging.
Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm
2016-03-01
Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.
NMR-based diffusion lattice imaging
Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm
2016-03-01
Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.
Spectral functions from anisotropic lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Aarts, G.; Allton, C. [Department of Physics, Swansea University, Swansea SA2 8PP, Wales (United Kingdom); Amato, A. [Helsinki Institute of Physics and University of Helsinki, Helsinki (Finland); Evans, W. [Albert Einstein Center for Fundamental Physics, Institute for Theoretical Physics Universitat Bern, Sidlerstrasse 5, CH-3012 Bern (Switzerland); Giudice, P. [Institut für Theoretische Physik, Universität Münster, D–48149 Münster (Germany); Harris, T. [School of Mathematics, Trinity College, Dublin 2 (Ireland); Kelly, A. [Department of Mathematical Physics, Maynooth University, Maynooth, Co Kildare (Ireland); Kim, S.Y. [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of); Lombardo, M.P. [INFN–Laboratori Nazionali di Frascati, I–00044 Frascati (RM) (Italy); Praki, K. [Department of Physics, Swansea University, Swansea SA2 8PP, Wales (United Kingdom); Ryan, S.M. [School of Mathematics, Trinity College, Dublin 2 (Ireland); Skullerud, J.-I. [Department of Mathematical Physics, Maynooth University, Maynooth, Co Kildare (Ireland)
2016-12-15
The FASTSUM collaboration has been carrying out lattice simulations of QCD for temperatures ranging from one third to twice the crossover temperature, investigating the transition region, as well as the properties of the Quark Gluon Plasma. In this contribution we concentrate on quarkonium correlators and spectral functions. We work in a fixed scale scheme and use anisotropic lattices which help achieving the desirable fine resolution in the temporal direction, thus facilitating the (ill posed) integral transform from imaginary time to frequency space. We contrast and compare results for the correlators obtained with different methods, and different temporal spacings. We observe robust features of the results, confirming the sequential dissociation scenario, but also quantitative differences indicating that the methods' systematic errors are not yet under full control. We briefly outline future steps towards accurate results for the spectral functions and their associated statistical and systematic errors.
Lattice QCD Calculation of Nucleon Structure
Energy Technology Data Exchange (ETDEWEB)
Liu, Keh-Fei [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy; Draper, Terrence [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy
2016-08-30
It is emphasized in the 2015 NSAC Long Range Plan that "understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics." Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. We started out by calculating the nucleon form factors -- electromagnetic, axial-vector, πNN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the `quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the D_{s} meson decay constant f_{Ds}, the strangeness and charmness, the meson mass
Lattice-Boltzmann simulations of droplet evaporation
Ledesma-Aguilar, Rodrigo
2014-09-04
© the Partner Organisations 2014. We study the utility and validity of lattice-Boltzmann (LB) simulations to explore droplet evaporation driven by a concentration gradient. Using a binary-fluid lattice-Boltzmann algorithm based on Cahn-Hilliard dynamics, we study the evaporation of planar films and 3D sessile droplets from smooth solid surfaces. Our results show that LB simulations accurately reproduce the classical regime of quasi-static dynamics. Beyond this limit, we show that the algorithm can be used to explore regimes where the evaporative and diffusive timescales are not widely separated, and to include the effect of boundaries of prescribed driving concentration. We illustrate the method by considering the evaporation of a droplet from a solid surface that is chemically patterned with hydrophilic and hydrophobic stripes. This journal is
Atomic lattice excitons: from condensates to crystals
Energy Technology Data Exchange (ETDEWEB)
Kantian, A [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Daley, A J [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Toermae, P [Nanoscience Center, Department of Physics, University of Jyvaeskylae, PO Box 35, FIN-40014 (Finland); Zoller, P [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria)
2007-11-15
We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement.
Lattice Location of Transition Metals in Semiconductors
2002-01-01
%IS366 %title\\\\ \\\\Transition metals (TMs) in semiconductors have been the subject of considerable research for nearly 40 years. This is due both to their role as important model impurities for deep centers in semiconductors, and to their technological impact as widespread contaminants in Si processing, where the miniaturization of devices requires to keep their sheet concentration below 10$^{10}$ cm$^{-2}$. As a consequence of the low TM solubility, conventional ion beam methods for direct lattice location have failed completely in identifying the lattice sites of isolated transition metals. Although electron paramagnetic resonance (EPR) has yielded valuable information on a variety of TM centers, it has been unable to detect certain defects considered by theory, e.g., isolated interstitial or substitutional Cu in Si. The proposed identity of other EPR centers such as substitutional Fe in Si, still needs confirmation by additional experimental methods. As a consequence, the knowledge on the structural propert...
Lattice modeling of aggregate interlocking in concrete
DEFF Research Database (Denmark)
Eliáš, Jan; Stang, Henrik
2012-01-01
In this paper, we study amixed-mode fracture process using a conventional two dimensional lattice model with incorporated meso-level internal material structure. Simple elasto-brittle elements of the network are divided into three phases according to a projected grain layout. The stiffness of any...... element that fulfils a failure criterion is removed. As a new feature of the otherwise standard lattice approach, we added the recovery of normal stiffness when a severed element enters the compressive regime. This enhancement enables capture of the shear resistance of an existing crack caused by crack...... roughness, i.e.what is termed aggregate interlocking. We demonstrate this enhancement via the simulation of mixed-mode experiments on concrete performed at a laboratory at the Technical University of Denmark. Double notched concrete specimens were initially pre-cracked in tension. Then, various combinations...
Quantum Operator Design for Lattice Baryon Spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Lichtl, Adam [Carnegie Mellon Univ., Pittsburgh, PA (United States)
2006-09-07
A previously-proposed method of constructing spatially-extended gauge-invariant three-quark operators for use in Monte Carlo lattice QCD calculations is tested, and a methodology for using these operators to extract the energies of a large number of baryon states is developed. This work is part of a long-term project undertaken by the Lattice Hadron Physics Collaboration to carry out a first-principles calculation of the low-lying spectrum of QCD. The operators are assemblages of smeared and gauge-covariantly-displaced quark fields having a definite flavor structure. The importance of using smeared fields is dramatically demonstrated. It is found that quark field smearing greatly reduces the couplings to the unwanted high-lying short-wavelength modes, while gauge field smearing drastically reduces the statistical noise in the extended operators.
Review of Baryon Spectroscopy in Lattice QCD
Lin, Huey-Wen
2011-01-01
The complex patterns of the hadronic spectrum have puzzled physicists since the early discovery of the "particle zoo" in the 1960s. Today, the properties of these myriad particles are understood to be the result of quantum chromodynamics (QCD) with some modification by the electroweak interactions. Despite the discovery of this fundamental theory, the description of the hadronic spectrum has long been dominated by phenomenological models, due to the difficulties of addressing QCD in the strong-coupling regime, where nonperturbative effects are essential. By making numerical calculations in discretized spacetime, lattice gauge theory enables the ab initio study of many low-energy properties of QCD. Significant efforts are underway internationally to use lattice QCD to directly compute properties of ground and excited-state baryons. Detailed knowledge of the hadronic spectrum will provide insight into the character of these states beyond what can be extracted from models. In this review, I will focus on the lat...
Categorical Equivalence Between Orthomodular Dynamic Algebras and Complete Orthomodular Lattices
Kishida, Kohei; Rafiee Rad, Soroush; Sack, Joshua; Zhong, Shengyang
2017-12-01
This paper provides a categorical equivalence between two types of quantum structures. One is a complete orthomodular lattice, which is used for reasoning about testable properties of a quantum system. The other is an orthomodular dynamic algebra, which is a quantale used for reasoning about quantum actions. The result extends to more restrictive lattices than orthomodular lattices, and includes Hilbert lattices of closed subspaces of a Hilbert space. These other lattice structures have connections to a wide range of different quantum structures; hence our equivalence establishes a categorical connection between quantales and a great variety of quantum structures.
Quantum interference effects in particle transport through square lattices
Cuansing, E.; Nakanishi, H.
2004-12-01
We study the transport of a quantum particle through square lattices of various sizes by employing the tight-binding Hamiltonian from quantum percolation. Input and output semi-infinite chains are attached to the lattice either by diagonal point-to-point contacts or by a busbar connection. We find resonant transmission and reflection occurring whenever the incident particle’s energy is near an eigenvalue of the lattice alone (i.e., the lattice without the chains attached). We also find the transmission to be strongly dependent on the way the chains are attached to the lattice.
Three-wave electron vortex lattices for measuring nanofields.
Dwyer, C; Boothroyd, C B; Chang, S L Y; Dunin-Borkowski, R E
2015-01-01
It is demonstrated how an electron-optical arrangement consisting of two electron biprisms can be used to generate three-wave vortex lattices with effective lattice spacings between 0.1 and 1 nm. The presence of vortices in these lattices was verified by using a third biprism to perform direct phase measurements via off-axis electron holography. The use of three-wave lattices for nanoscale electromagnetic field measurements via vortex interferometry is discussed, including the accuracy of vortex position measurements and the interpretation of three-wave vortex lattices in the presence of partial spatial coherence. Copyright © 2014 Elsevier B.V. All rights reserved.
Proton–proton fusion in lattice effective field theory
Energy Technology Data Exchange (ETDEWEB)
Rupak, Gautam, E-mail: grupak@u.washington.edu; Ravi, Pranaam, E-mail: pr340@msstate.edu
2015-02-04
The proton–proton fusion rate is calculated at low energy in a lattice effective field theory (EFT) formulation. The strong and the Coulomb interactions are treated non-perturbatively at leading order in the EFT. The lattice results are shown to accurately describe the low energy cross section within the validity of the theory at energies relevant to solar physics. In prior works in the literature, Coulomb effects were generally not included in non-perturbative lattice calculations. Work presented here is of general interest in nuclear lattice EFT calculations that involve Coulomb effects at low energy. It complements recent developments of the adiabatic projection method for lattice calculations of nuclear reactions.
Fractional Quantum Field Theory: From Lattice to Continuum
Directory of Open Access Journals (Sweden)
Vasily E. Tarasov
2014-01-01
Full Text Available An approach to formulate fractional field theories on unbounded lattice space-time is suggested. A fractional-order analog of the lattice quantum field theories is considered. Lattice analogs of the fractional-order 4-dimensional differential operators are proposed. We prove that continuum limit of the suggested lattice field theory gives a fractional field theory for the continuum 4-dimensional space-time. The fractional field equations, which are derived from equations for lattice space-time with long-range properties of power-law type, contain the Riesz type derivatives on noninteger orders with respect to space-time coordinates.
Convergence of Convective-Diffusive Lattice Boltzmann Methods
Elton, B H; Levermore, C D; Elton, Bracy H.; Rodrigue, Garry H.
1993-01-01
Lattice Boltzmann methods are numerical schemes derived as a kinetic approximation of an underlying lattice gas. A numerical convergence theory for nonlinear convective-diffusive lattice Boltzmann methods is established. Convergence, consistency, and stability are defined through truncated Hilbert expansions. In this setting it is shown that consistency and stability imply convergence. Monotone lattice Boltzmann methods are defined and shown to be stable, hence convergent when consistent. Examples of diffusive and convective-diffusive lattice Boltzmann methods that are both consistent and monotone are presented.
Multilayer DNA Origami Packed on Hexagonal and Hybrid Lattices
DEFF Research Database (Denmark)
Ke, Yonggang; Voigt, Niels Vinther; Shih, William M.
2012-01-01
“Scaffolded DNA origami” has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. H...... DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology....
Boron Triangular Kagome Lattice with Half-Metallic Ferromagnetism.
Kim, Sunghyun; Han, W H; Lee, In-Ho; Chang, K J
2017-08-04
Based on the first-principles evolutionary materials design, we report a stable boron Kagome lattice composed of triangles in triangles on a two-dimensional sheet. The Kagome lattice can be synthesized on a silver substrate, with selecting Mg atoms as guest atoms. While the isolated Kagome lattice is slightly twisted without strain, it turns into an ideal triangular Kagome lattice under tensile strain. In the triangular Kagome lattice, we find the exotic electronic properties, such as topologically non-trivial flat band near the Fermi energy and half-metallic ferromagnetism, and predict the quantum anomalous Hall effect in the presence of spin-orbit coupling.
Lattice Model for Production of Gas
Marder, M.
2017-12-01
We define a lattice model for rock, absorbers, and gas that makes it possible to examine the flow of gas to a complicated absorbing boundary over long periods of time. The motivation is to deduce the geometry of the boundary from the time history of gas absorption. We find a solution to this model using Green\\'s function techniques, and apply the solution to three absorbing networks of increasing complexity.
Lattice quantum gravity and asymptotic safety
Laiho, J.; Bassler, S.; Coumbe, D.; Du, D.; Neelakanta, J. T.
2017-09-01
We study the nonperturbative formulation of quantum gravity defined via Euclidean dynamical triangulations (EDT) in an attempt to make contact with Weinberg's asymptotic safety scenario. We find that a fine-tuning is necessary in order to recover semiclassical behavior. Such a fine-tuning is generally associated with the breaking of a target symmetry by the lattice regulator; in this case we argue that the target symmetry is the general coordinate invariance of the theory. After introducing and fine-tuning a nontrivial local measure term, we find no barrier to taking a continuum limit, and we find evidence that four-dimensional, semiclassical geometries are recovered at long distance scales in the continuum limit. We also find that the spectral dimension at short distance scales is consistent with 3 /2 , a value that could resolve the tension between asymptotic safety and the holographic entropy scaling of black holes. We argue that the number of relevant couplings in the continuum theory is one, once symmetry breaking by the lattice regulator is accounted for. Such a theory is maximally predictive, with no adjustable parameters. The cosmological constant in Planck units is the only relevant parameter, which serves to set the lattice scale. The cosmological constant in Planck units is of order 1 in the ultraviolet and undergoes renormalization group running to small values in the infrared. If these findings hold up under further scrutiny, the lattice may provide a nonperturbative definition of a renormalizable quantum field theory of general relativity with no adjustable parameters and a cosmological constant that is naturally small in the infrared.
Ab initio Hadron structure from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
J.D. Bratt; R.G. Edwards; M. Engelhardt; G.T. Fleming; Ph. Hägler; B. Musch; J.W. Negele; K. Orginos; A.V. Pochinsky; D.B. Renner; D.G. Richards; W. Schroers
2007-06-01
Early scattering experiments revealed that the proton was not a point particle but a bound state of many quarks and gluons. Deep inelastic scattering (DIS) experiments have accurately determined the probability of struck quarks carrying a fraction of the proton's momentum. The current generation of experiments and Lattice QCD calculations will provide detailed multi-dimensional pictures of the distributions of quarks and gluons inside the proton.
Magnetic translation group on Abrikosov lattice
Goto, Akira
1996-02-01
We investigate the magnetic translational symmetry of the Bogoliubov-de Gennes equation describing quasiparticles in the vortex lattice state. Magnetic translation group is formulated for the quasiparticles and the generalized Bloch theorem is established. Projection operators are obtained and used to construct the symmetry adopted basis functions. Careful treatment of the phase of the pair potential and its quasiperiodicity enable us to get the magnetic Wannier functions, which are utilized to justify a part of Canel's assertion about the effective Hamiltonian theory.
Nuclear magnetic resonance in Kondo lattice systems
Curro, Nicholas J.
2016-06-01
Nuclear magnetic resonance has emerged as a vital tool to explore the fundamental physics of Kondo lattice systems. Because nuclear spins experience two different hyperfine couplings to the itinerant conduction electrons and to the local f moments, the Knight shift can probe multiple types of spin correlations that are not accessible via other techniques. The Knight shift provides direct information about the onset of heavy electron coherence and the emergence of the heavy electron fluid.
Lattice Gauge Fields and Noncommutative Geometry
Balachandran, A. P.; Bimonte, G.; Landi, G.; Lizzi, F.; Teotonio-Sobrinho, P.
1996-01-01
Conventional approaches to lattice gauge theories do not properly consider the topology of spacetime or of its fields. In this paper, we develop a formulation which tries to remedy this defect. It starts from a cubical decomposition of the supporting manifold (compactified spacetime or spatial slice) interpreting it as a finite topological approximation in the sense of Sorkin. This finite space is entirely described by the algebra of cochains with the cup product. The methods of Connes and Lo...
A Fast Algorithm for Lattice Hyperonic Potentials
Nemura, Hidekatsu; Doi, Takumi; Gongyo, Shinya; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Iritani, Takumi; Ishii, Noriyoshi; Miyamoto, Takaya; Murano, Keiko; Sasaki, Kenji
2016-01-01
We describe an efficient algorithm to compute a large number of baryon-baryon interactions from $NN$ to $\\Xi\\Xi$ by means of HAL QCD method, which lays the groundwork for the nearly physical point lattice QCD calculation with volume $(96a)^4\\approx$($8.2$fm)$^4$. Preliminary results of $\\Lambda N$ potential calculated with quark masses corresponding to ($m_{\\pi}$,$m_{K}$)$\\approx$(146,525)MeV are presented.
Travelling waves in the lattice epidemic model
Directory of Open Access Journals (Sweden)
Zhixian Yu
2010-07-01
Full Text Available In this article, we establish the existence and nonexistence of travelling waves for a lattice non-monotone integral equation which is an epidemic model. Moreover, the wave is either convergent to the positive equilibrium or oscillating on the positive equilibrium at positive infinity, and has the exponential asymptotic behavior at negative infinity. For the non-monotone case, the asymptotic speed of propagation also coincides with the minimal wave speed.
Vortex lattice theory: A linear algebra approach
Chamoun, George C.
Vortex lattices are prevalent in a large class of physical settings that are characterized by different mathematical models. We present a coherent and generalized Hamiltonian fluid mechanics-based formulation that reduces all vortex lattices into a classic problem in linear algebra for a non-normal matrix A. Via Singular Value Decomposition (SVD), the solution lies in the null space of the matrix (i.e., we require nullity( A) > 0) as well as the distribution of its singular values. We demonstrate that this approach provides a good model for various types of vortex lattices, and makes it possible to extract a rich amount of information on them. The contributions of this thesis can be classified into four main points. The first is asymmetric equilibria. A 'Brownian ratchet' construct was used which converged to asymmetric equilibria via a random walk scheme that utilized the smallest singular value of A. Distances between configurations and equilibria were measured using the Frobenius norm ||·||F and 2-norm ||·||2, and conclusions were made on the density of equilibria within the general configuration space. The second contribution used Shannon Entropy, which we interpret as a scalar measure of the robustness, or likelihood of lattices to occur in a physical setting. Third, an analytic model was produced for vortex street patterns on the sphere by using SVD in conjunction with expressions for the center of vorticity vector and angular velocity. Equilibrium curves within the configuration space were presented as a function of the geometry, and pole vortices were shown to have a critical role in the formation and destruction of vortex streets. The fourth contribution entailed a more complete perspective of the streamline topology of vortex streets, linking the bifurcations to critical points on the equilibrium curves.
Meson Correlators in Finite Temperature Lattice QCD
De Forcrand, Philippe; Hashimoto, T; Hioki, S; Matsufuru, H; Miyamura, O; Nakamura, A; Takaishi, T; Umeda, T; Stamatescu, I O; CERN. Geneva; Forcrand, Ph. de
2001-01-01
We analyze temporal and spatial meson correlators in quenched lattice QCD at T>0. Below T_c we observe little change in the meson properties as compared with T=0. Above T_c we observe new features: chiral symmetry restoration and signals of plasma formation, but also indication of persisting mesonic (metastable) states and different temporal and spatial masses in the mesonic channels. This suggests a complex picture of QGP in the region 1 - 1.5 T_c.
Nucleon distribution amplitudes from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Goeckeler, M. [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics; Kaltenbrunner, T. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (DE). John von Neumann-Inst. fuer Computing NIC] (and others)
2008-04-15
We calculate low moments of the leading-twist and next-to-leading twist nucleon distribution amplitudes on the lattice using two flavors of clover fermions. The results are presented in the MS scheme at a scale of 2 GeV and can be immediately applied in phenomenological studies. We find that the deviation of the leading-twist nucleon distribution amplitude from its asymptotic form is less pronounced than sometimes claimed in the literature. (orig.)
Radiative decays of resonances on the lattice
Energy Technology Data Exchange (ETDEWEB)
Agadjanov, Andria [Helmholtz-Institut für Strahlen-und Kernphysik (Theorie), Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany); St. Andrew the First-Called Georgian University of the Patriarchate of Georgia, Chavchavadze Ave. 53a, 0162, Tbilisi, Georgia (United States); Bernard, Véronique [Institut de Physique Nucléaire, CNRS/Univ. Paris-Sud 11 (UMR 8608), F-91406 Orsay Cedex (France); Meißner, Ulf-G. [Helmholtz-Institut für Strahlen-und Kernphysik (Theorie), Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany); Institute for Advanced Simulation (IAS-4), Institut für Kernphysik (IKP-3) and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Rusetsky, Akaki [Helmholtz-Institut für Strahlen-und Kernphysik (Theorie), Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany)
2016-01-22
We discuss a generalization of the Lüscher approach to the calculation of the matrix elements of the unstable states. A theoretical framework for the lattice extraction of the ΔNγ* transition form factors is formulated. The procedure to measure the form factors at the resonance pole is given. The current theoretical progress on the B → K*γ* decays is briefly summarized.
National Computational Infrastructure for Lattice Gauge Theory
Energy Technology Data Exchange (ETDEWEB)
Brower, Richard C.
2014-04-15
SciDAC-2 Project The Secret Life of Quarks: National Computational Infrastructure for Lattice Gauge Theory, from March 15, 2011 through March 14, 2012. The objective of this project is to construct the software needed to study quantum chromodynamics (QCD), the theory of the strong interactions of sub-atomic physics, and other strongly coupled gauge field theories anticipated to be of importance in the energy regime made accessible by the Large Hadron Collider (LHC). It builds upon the successful efforts of the SciDAC-1 project National Computational Infrastructure for Lattice Gauge Theory, in which a QCD Applications Programming Interface (QCD API) was developed that enables lattice gauge theorists to make effective use of a wide variety of massively parallel computers. This project serves the entire USQCD Collaboration, which consists of nearly all the high energy and nuclear physicists in the United States engaged in the numerical study of QCD and related strongly interacting quantum field theories. All software developed in it is publicly available, and can be downloaded from a link on the USQCD Collaboration web site, or directly from the github repositories with entrance linke http://usqcd-software.github.io
Vortices and vortex lattices in quantum ferrofluids.
Martin, A M; Marchant, N G; O'Dell, D H J; Parker, N G
2017-03-15
The experimental realization of quantum-degenerate Bose gases made of atoms with sizeable magnetic dipole moments has created a new type of fluid, known as a quantum ferrofluid, which combines the extraordinary properties of superfluidity and ferrofluidity. A hallmark of superfluids is that they are constrained to rotate through vortices with quantized circulation. In quantum ferrofluids the long-range dipolar interactions add new ingredients by inducing magnetostriction and instabilities, and also affect the structural properties of vortices and vortex lattices. Here we give a review of the theory of vortices in dipolar Bose-Einstein condensates, exploring the interplay of magnetism with vorticity and contrasting this with the established behaviour in non-dipolar condensates. We cover single vortex solutions, including structure, energy and stability, vortex pairs, including interactions and dynamics, and also vortex lattices. Our discussion is founded on the mean-field theory provided by the dipolar Gross-Pitaevskii equation, ranging from analytic treatments based on the Thomas-Fermi (hydrodynamic) and variational approaches to full numerical simulations. Routes for generating vortices in dipolar condensates are discussed, with particular attention paid to rotating condensates, where surface instabilities drive the nucleation of vortices, and lead to the emergence of rich and varied vortex lattice structures. We also present an outlook, including potential extensions to degenerate Fermi gases, quantum Hall physics, toroidal systems and the Berezinskii-Kosterlitz-Thouless transition.
Improved models of dense anharmonic lattices
Energy Technology Data Exchange (ETDEWEB)
Rosenau, P., E-mail: rosenau@post.tau.ac.il; Zilburg, A.
2017-01-15
We present two improved quasi-continuous models of dense, strictly anharmonic chains. The direct expansion which includes the leading effect due to lattice dispersion, results in a Boussinesq-type PDE with a compacton as its basic solitary mode. Without increasing its complexity we improve the model by including additional terms in the expanded interparticle potential with the resulting compacton having a milder singularity at its edges. A particular care is applied to the Hertz potential due to its non-analyticity. Since, however, the PDEs of both the basic and the improved model are ill posed, they are unsuitable for a study of chains dynamics. Using the bond length as a state variable we manipulate its dispersion and derive a well posed fourth order PDE. - Highlights: • An improved PDE model of a Newtonian lattice renders compacton solutions. • Compactons are classical solutions of the improved model and hence amenable to standard analysis. • An alternative well posed model enables to study head on interactions of lattices' solitary waves. • Well posed modeling of Hertz potential.
Renormalization of aperiodic model lattices: spectral properties
Kroon, L
2003-01-01
Many of the published results for one-dimensional deterministic aperiodic systems treat rather simplified electron models with either a constant site energy or a constant hopping integral. Here we present some rigorous results for more realistic mixed tight-binding systems with both the site energies and the hopping integrals having an aperiodic spatial variation. It is shown that the mixed Thue-Morse, period-doubling and Rudin-Shapiro lattices can be transformed to on-site models on renormalized lattices maintaining the individual order between the site energies. The character of the energy spectra for these mixed models is therefore the same as for the corresponding on-site models. Furthermore, since the study of electrons on a lattice governed by the Schroedinger tight-binding equation maps onto the study of elastic vibrations on a harmonic chain, we have proved that the vibrational spectra of aperiodic harmonic chains with distributions of masses determined by the Thue-Morse sequence and the period-doubli...
Exploring Hyperons and Hypernuclei with Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
S.R. Beane; P.F. Bedaque; A. Parreno; M.J. Savage
2005-01-01
In this work we outline a program for lattice QCD that would provide a first step toward understanding the strong and weak interactions of strange baryons. The study of hypernuclear physics has provided a significant amount of information regarding the structure and weak decays of light nuclei containing one or two Lambda's, and Sigma's. From a theoretical standpoint, little is known about the hyperon-nucleon interaction, which is required input for systematic calculations of hypernuclear structure. Furthermore, the long-standing discrepancies in the P-wave amplitudes for nonleptonic hyperon decays remain to be understood, and their resolution is central to a better understanding of the weak decays of hypernuclei. We present a framework that utilizes Luscher's finite-volume techniques in lattice QCD to extract the scattering length and effective range for Lambda-N scattering in both QCD and partially-quenched QCD. The effective theory describing the nonleptonic decays of hyperons using isospin symmetry alone, appropriate for lattice calculations, is constructed.
Integer lattice dynamics for Vlasov-Poisson
Mocz, Philip; Succi, Sauro
2017-03-01
We revisit the integer lattice (IL) method to numerically solve the Vlasov-Poisson equations, and show that a slight variant of the method is a very easy, viable, and efficient numerical approach to study the dynamics of self-gravitating, collisionless systems. The distribution function lives in a discretized lattice phase-space, and each time-step in the simulation corresponds to a simple permutation of the lattice sites. Hence, the method is Lagrangian, conservative, and fully time-reversible. IL complements other existing methods, such as N-body/particle mesh (computationally efficient, but affected by Monte Carlo sampling noise and two-body relaxation) and finite volume (FV) direct integration schemes (expensive, accurate but diffusive). We also present improvements to the FV scheme, using a moving-mesh approach inspired by IL, to reduce numerical diffusion and the time-step criterion. Being a direct integration scheme like FV, IL is memory limited (memory requirement for a full 3D problem scales as N6, where N is the resolution per linear phase-space dimension). However, we describe a new technique for achieving N4 scaling. The method offers promise for investigating the full 6D phase-space of collisionless systems of stars and dark matter.
Vector difference calculus for physical lattice models
Schwalm, W.; Moritz, B.; Giona, M.; Schwalm, M.
1999-01-01
A vector difference calculus is developed for physical models defined on a general triangulating graph G, which may be a regular or an extremely irregular lattice, using discrete field quantities roughly analogous to differential forms. The role of the space Λp of p-forms at a point is taken on by the linear space generated at a graph vertex by the geometrical p-simplices which contain it. The vector operations divergence, gradient, and curl are developed using the boundary ∂ and coboundary d. Dot, cross, and scalar products are defined in such a way that discrete analogs of the vector integral theorems, including theorems of Gauss-Ostrogradski, Stokes, and Green, as well as most standard vector identities hold exactly, not as approximations to a continuum limit. Physical conservation laws for the models become theorems satisfied by the discrete fields themselves. Three discrete lattice models are constructed as examples, namely a discrete version of the Maxwell equations, the Navier-Stokes equation for incompressible flow, and the Navier linearized model for a homogeneous, isotropic elastic medium. Weight factors needed for obtaining quantitative agreement with continuum calculations are derived for the special case of a regular triangular lattice. Green functions are developed using a generalized Helmholtz decomposition of the fields.
Local optimality of cubic lattices for interaction energies
Bétermin, Laurent
2017-12-01
We study the local optimality of simple cubic, body-centred-cubic and face-centred-cubic lattices among Bravais lattices of fixed density for some finite energy per point. Following the work of Ennola (Math Proc Camb 60:855-875, 1964), we prove that these lattices are critical points of all the energies, we write the second derivatives in a simple way and we investigate the local optimality of these lattices for the theta function and the Lennard-Jones-type energies. In particular, we prove the local minimality of the FCC lattice (resp. BCC lattice) for large enough (resp. small enough) values of its scaling parameter and we also prove the fact that the simple cubic lattice is a saddle point of the energy. Furthermore, we prove the local minimality of the FCC and the BCC lattices at high density (with an optimal explicit bound) and its local maximality at low density in the Lennard-Jones-type potential case. We then show the local minimality of FCC and BCC lattices among all the Bravais lattices (without a density constraint). The largest possible open interval of density's values where the simple cubic lattice is a local minimizer is also computed.
Lattice Green's functions in all dimensions
Energy Technology Data Exchange (ETDEWEB)
Guttmann, Anthony J, E-mail: guttmann@unimelb.edu.a [Department of Mathematics and Statistics, University of Melbourne, Victoria 3052 (Australia)
2010-07-30
We give a systematic treatment of lattice Green's functions (LGF) on the d-dimensional diamond, simple cubic, body-centred cubic and face-centred cubic lattices for arbitrary dimensionality d {>=} 2 for the first three lattices, and for 2 {<=} d {<=} 5 for the hyper-fcc lattice. We show that there is a close connection between the LGF of the d-dimensional hyper-cubic lattice and that of the (d - 1)-dimensional diamond lattice. We give constant-term formulations of LGFs for each of these lattices in all dimensions. Through a still under-developed connection with Mahler measures, we point out an unexpected connection between the coefficients of the sc, bcc and diamond LGFs and some Ramanujan-type formulae for 1/{pi}.
Architecture and Function of Mechanosensitive Membrane Protein Lattices
Kahraman, Osman; Klug, William S; Haselwandter, Christoph A
2016-01-01
Experiments have revealed that membrane proteins can form two-dimensional clusters with regular translational and orientational protein arrangements, which may allow cells to modulate protein function. However, the physical mechanisms yielding supramolecular organization and collective function of membrane proteins remain largely unknown. Here we show that bilayer-mediated elastic interactions between membrane proteins can yield regular and distinctive lattice architectures of protein clusters, and may provide a link between lattice architecture and lattice function. Using the mechanosensitive channel of large conductance (MscL) as a model system, we obtain relations between the shape of MscL and the supramolecular architecture of MscL lattices. We predict that the tetrameric and pentameric MscL symmetries observed in previous structural studies yield distinct lattice architectures of MscL clusters and that, in turn, these distinct MscL lattice architectures yield distinct lattice activation barriers. Our res...
Introduction to Louis Michel's lattice geometry through group action
Zhilinskii, Boris
2015-01-01
Group action analysis developed and applied mainly by Louis Michel to the study of N-dimensional periodic lattices is the central subject of the book. Different basic mathematical tools currently used for the description of lattice geometry are introduced and illustrated through applications to crystal structures in two- and three-dimensional space, to abstract multi-dimensional lattices and to lattices associated with integrable dynamical systems. Starting from general Delone sets the authors turn to different symmetry and topological classifications including explicit construction of orbifolds for two- and three-dimensional point and space groups. Voronoï and Delone cells together with positive quadratic forms and lattice description by root systems are introduced to demonstrate alternative approaches to lattice geometry study. Zonotopes and zonohedral families of 2-, 3-, 4-, 5-dimensional lattices are explicitly visualized using graph theory approach. Along with crystallographic applications, qualitative ...
van der Sman, R G M
2006-08-01
In this paper we present lattice Boltzmann (LB) schemes for convection diffusion coupled to fluid flow on two-dimensional rectangular lattices. Via inverse Chapman-Enskog analysis of LB schemes including source terms, we show that for consistency with physics it is required that the moments of the equilibrium distributions equal those of the Maxwell-Boltzmann distribution. These constraints can be satisfied for the rectangular D2Q9 lattice for only fluid flow in the weakly compressible regime. The analysis of source terms shows that fluxes are really defined on the boundaries of the Wigner-Seitz cells, and not on the lattice sites where the densities are defined-which is quite similar to the staggered grid finite-volume schemes. Our theoretical findings are confirmed by numerical solutions of benchmark problems for convection diffusion and natural convection. The lattice Boltzmann scheme shows remarkably good performance for convection diffusion, showing little to non-numerical diffusion or numerical dispersion, even at high grid Peclet numbers.
Li, Weizhen; Huang, Hua; Li, Hongjia; Zhang, Wei; Liu, Haichao
2008-08-05
Pure monoclinic (m) and tetragonal (t) zirconia nanoparticles were readily synthesized from the reaction of inorganic zirconium salts (e.g., hydrated zirconyl nitrate) and urea in water and methanol, respectively, via a facile solvothermal method. The role of the solvents was crucial in the formation of the pure ZrO(2) phases, whereas their purity was essentially insensitive to other variables, including reaction temperature, reactant concentration, pH, and zirconium salts. Water as the solvent led to the transformation of hydrous ZrO(2) precipitates initially formed with tetragonal structures to thermodynamically more stable m-ZrO(2) via the dissolution-precipitation process, whereas methanol favored the removal of water molecules from the precursors via their reaction with urea, consequently maintaining the tetragonal structures. The obtained tetragonal samples were found to possess superior hydrothermal stability compared to those reported previously, which provides the possibility for systematically studying the effects of ZrO(2) phases on many catalytic reactions involving water as a reactant or product. Using these pure m- and t-ZrO(2) phases as supports, dispersed MoO(x) catalysts were synthesized at MoO(x) surface densities of approximately 5.0 Mo/nm(2), which is close to one monolayer of coverage. Characterization by X-ray diffraction and Raman spectroscopy confirmed that the pure ZrO(2) phases remained unchanged in the presence of the MoO(x) domains and the MoO(x) domains existed preferentially as 2D polymolybdate structures. The catalysts were subsequently examined for selective methanol oxidation as a test reaction. m-ZrO(2) support led to 2-fold greater oxidation rates than for t-ZrO(2) support, reflecting the higher intrinsic reactivity of the MoO(x) domains on m-ZrO(2). This is consistent with their higher reducibility probed by temperature-programmed reduction with H(2) (H(2) TPR). These observed effects of the ZrO(2) phases provide the basis for
LATTICE QCD AT FINITE TEMPERATURE AND DENSITY.
Energy Technology Data Exchange (ETDEWEB)
BLUM,T.; CREUTZ,M.; PETRECZKY,P.
2004-02-24
With the operation of the RHIC heavy ion program, the theoretical understanding of QCD at finite temperature and density has become increasingly important. Though QCD at finite temperature has been extensively studied using lattice Monte-Carlo simulations over the past twenty years, most physical questions relevant for RHIC (and future) heavy ion experiments remain open. In lattice QCD at finite temperature and density there have been at least two major advances in recent years. First, for the first time calculations of real time quantities, like meson spectral functions have become available. Second, the lattice study of the QCD phase diagram and equation of state have been extended to finite baryon density by several groups. Both issues were extensively discussed in the course of the workshop. A real highlight was the study of the QCD phase diagram in (T, {mu})-plane by Z. Fodor and S. Katz and the determination of the critical end-point for the physical value of the pion mass. This was the first time such lattice calculations at, the physical pion mass have been performed. Results by Z Fodor and S. Katz were obtained using a multi-parameter re-weighting method. Other determinations of the critical end point were also presented, in particular using a Taylor expansion around {mu} = 0 (Bielefeld group, Ejiri et al.) and using analytic continuation from imaginary chemical potential (Ph. de Forcrand and O. Philipsen). The result based on Taylor expansion agrees within errors with the new prediction of Z. Fodor and S. Katz, while methods based on analytic continuation still predict a higher value for the critical baryon density. Most of the thermodynamics studies in full QCD (including those presented at this workshop) have been performed using quite coarse lattices, a = 0.2-0.3 fm. Therefore one may worry about cutoff effects in different thermodynamic quantities, like the transition temperature T{sub tr}. At the workshop U. Heller presented a study of the transition
Strong-Coupling Lattice QCD on Anisotropic Lattices arXiv
de Forcrand, Philippe; Vairinhos, Helvio
Anisotropic lattice spacings are mandatory to reach the high temperatures where chiral symmetry is restored in the strong coupling limit of lattice QCD. Here, we propose a simple criterion for the nonperturbative renormalisation of the anisotropy coupling $\\gamma$ in strongly-coupled SU($N$) or U($N$) lattice QCD with massless staggered fermions. We then compute the renormalised anisotropy $\\xi(\\gamma)$, and the strong-coupling analogue of Karsch's coefficients (the running anisotropy), for $N=3$. We achieve high precision by combining diagrammatic Monte Carlo and multi-histogram reweighting techniques. We observe that the mean field prediction in the continuous time limit captures the nonperturbative scaling, but receives a large, previously neglected correction on the unit prefactor. Using our nonperturbative prescription in place of the mean field result, we observe large corrections of the same magnitude to the continuous time limit of the static baryon mass, and of the location of the phase boundary asso...
Coupling lattice Boltzmann model for simulation of thermal flows on standard lattices
Li, Q; He, Y L; Gao, Y J; Tao, W Q
2011-01-01
In this paper, a coupling lattice Boltzmann (LB) model for simulating thermal flows on the standard D2Q9 lattice is developed in the framework of the double-distribution-function (DDF) approach in which the viscous heat dissipation and compression work are considered. In the model, a density distribution function is used to simulate the flow field, while a total energy distribution function is employed to simulate the temperature field. The discrete equilibrium density and total energy distribution functions are obtained from the Hermite expansions of the corresponding continuous equilibrium distribution functions. The pressure given by the equation of state of perfect gases is recovered in the macroscopic momentum and energy equations. The coupling between the momentum and energy transports makes the model applicable for general thermal flows such as non-Boussinesq flows, while the existing DDF LB models on standard lattices are usually limited to Boussinesq flows in which the temperature variation is small....
Triplet Vortex Lattice Solutions of the Bogoliubov-de Gennes Equation in a Square Lattice
Hori, Yoshiki; Goto, Akira; Ozaki, Masa-aki
2006-09-01
Various self-consistent triplet vortex lattice states are obtained for a two-dimensional extended Hubbard model with nearest-neighbor ferromagnetic exchange interaction in a uniform magnetic field. There are four types of triplet superconducting classes, axial, up-spin, planar, and bipolar state, with maximal magnetic translational symmetry for the magnetic flux φ = φ0/p2 in a square crystal lattice, where φ0 = hc/2e is the flux quantum and p is an integer. We diagonalize the mean-field Hamiltonian numerically with self-consistency conditions for each symmetry class, and obtain various meta-stable vortex lattice states. The temperature dependence of the free energy of these meta-stable states is compared.
Spin squeezing in optical lattice clocks through lattice based quantum non-demolition measurements
Meiser, Dominic; Holland, Murray J.
2008-05-01
Optical lattice clocks based on neutral earth alkaline atoms have made dramatic progress recently and are now competitive with the most stable frequency standards. In the current generation of experiments the short time stability of the clocks is within a factor of two of the spin projection noise limited stability. In this presentation we show that the atoms imprint information on the lattice beams that can be used to perform a quantum non-demolition measurement of the atomic state. Such a quantum non-demolition measurement can reduce the spin-projection noise below the standard quantum limit through measurement back-action induced spin squeezing thus enabling still better short time stability of the lattice clock. In addition to potentially leading to better clocks this work also opens up new areas of research at the interface of cavity QED, condensed matter physics and precision measurements.
Lattice Boltzmann method for simulation of compressible flows on standard lattices.
Prasianakis, Nikolaos I; Karlin, Iliya V
2008-07-01
The recently introduced lattice Boltzmann model for thermal flow simulation on a standard lattice [Prasianakis and Karlin, Phys. Rev. E 76, 016702 (2007)] is studied numerically in the case where compressibility effects are essential. It is demonstrated that the speed of sound and shock propagation are described correctly in a wide temperature range, and that it is possible to take into account additional physics such as heat sources and sinks. A remarkable simplicity of the model makes it viable for engineering applications in subsonic flows with large temperature and density variations.
Grzechnik, A; Wolf, G H; McMillan, P F
1998-01-01
We report detailed Raman and IR spectroscopic measurements for the decompressed high-pressure perovskite phase of SrGeO sub 3. The appearance of a first-order Raman spectrum and slight splittings in the infrared bands suggest that the symmetry of the recovered metastable perovskite phase is lowered from Pm3m. This interpretation is fully supported by first-principles LDA calculations using the LAPW method, which indicate a small tetragonal distortion. The static lattice energy is lowered by 3.3 meV (per formula unit) by allowing rotational relaxation of the GeO sub 6 octahedra. The calculations permit a reliable assignment of the zone centre phonon modes of SrGeO sub 3 perovskite. The calculated pressure dependence of the ferroic IR-active modes is in excellent agreement with our measured data and reveals an incipient soft-mode behaviour in the tension regime. Further calculations of the GeO sub 6 unit as a function of octahedral volume reveal instabilities to local off-centre Ge sup 4 sup + displacements as ...
Noise tolerant dendritic lattice associative memories
Ritter, Gerhard X.; Schmalz, Mark S.; Hayden, Eric; Tucker, Marc
2011-09-01
Linear classifiers based on computation over the real numbers R (e.g., with operations of addition and multiplication) denoted by (R, +, x), have been represented extensively in the literature of pattern recognition. However, a different approach to pattern classification involves the use of addition, maximum, and minimum operations over the reals in the algebra (R, +, maximum, minimum) These pattern classifiers, based on lattice algebra, have been shown to exhibit superior information storage capacity, fast training and short convergence times, high pattern classification accuracy, and low computational cost. Such attributes are not always found, for example, in classical neural nets based on the linear inner product. In a special type of lattice associative memory (LAM), called a dendritic LAM or DLAM, it is possible to achieve noise-tolerant pattern classification by varying the design of noise or error acceptance bounds. This paper presents theory and algorithmic approaches for the computation of noise-tolerant lattice associative memories (LAMs) under a variety of input constraints. Of particular interest are the classification of nonergodic data in noise regimes with time-varying statistics. DLAMs, which are a specialization of LAMs derived from concepts of biological neural networks, have successfully been applied to pattern classification from hyperspectral remote sensing data, as well as spatial object recognition from digital imagery. The authors' recent research in the development of DLAMs is overviewed, with experimental results that show utility for a wide variety of pattern classification applications. Performance results are presented in terms of measured computational cost, noise tolerance, classification accuracy, and throughput for a variety of input data and noise levels.
Gibbs sampling on large lattice with GMRF
Marcotte, Denis; Allard, Denis
2018-02-01
Gibbs sampling is routinely used to sample truncated Gaussian distributions. These distributions naturally occur when associating latent Gaussian fields to category fields obtained by discrete simulation methods like multipoint, sequential indicator simulation and object-based simulation. The latent Gaussians are often used in data assimilation and history matching algorithms. When the Gibbs sampling is applied on a large lattice, the computing cost can become prohibitive. The usual practice of using local neighborhoods is unsatisfying as it can diverge and it does not reproduce exactly the desired covariance. A better approach is to use Gaussian Markov Random Fields (GMRF) which enables to compute the conditional distributions at any point without having to compute and invert the full covariance matrix. As the GMRF is locally defined, it allows simultaneous updating of all points that do not share neighbors (coding sets). We propose a new simultaneous Gibbs updating strategy on coding sets that can be efficiently computed by convolution and applied with an acceptance/rejection method in the truncated case. We study empirically the speed of convergence, the effect of choice of boundary conditions, of the correlation range and of GMRF smoothness. We show that the convergence is slower in the Gaussian case on the torus than for the finite case studied in the literature. However, in the truncated Gaussian case, we show that short scale correlation is quickly restored and the conditioning categories at each lattice point imprint the long scale correlation. Hence our approach enables to realistically apply Gibbs sampling on large 2D or 3D lattice with the desired GMRF covariance.
Lattice model for water-solute mixtures.
Furlan, A P; Almarza, N G; Barbosa, M C
2016-10-14
A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction of solute/solvent is controlled by tuning the energy interactions between the patches of ALG model. We have studied three set of parameters, resulting in, hydrophilic, inert, and hydrophobic interactions. Extensive Monte Carlo simulations were carried out, and the behavior of pure components and the excess properties of the mixtures have been studied. The pure components, water (solvent) and solute, have quite similar phase diagrams, presenting gas, low density liquid, and high density liquid phases. In the case of solute, the regions of coexistence are substantially reduced when compared with both the water and the standard ALG models. A numerical procedure has been developed in order to attain series of results at constant pressure from simulations of the lattice gas model in the grand canonical ensemble. The excess properties of the mixtures, volume and enthalpy as the function of the solute fraction, have been studied for different interaction parameters of the model. Our model is able to reproduce qualitatively well the excess volume and enthalpy for different aqueous solutions. For the hydrophilic case, we show that the model is able to reproduce the excess volume and enthalpy of mixtures of small alcohols and amines. The inert case reproduces the behavior of large alcohols such as propanol, butanol, and pentanol. For the last case (hydrophobic), the excess properties reproduce the behavior of ionic liquids in aqueous solution.
Zheng, Limei; Wang, Junjun; Liu, Xuedong; Yang, Liya; Lu, Xiaoyan; Li, Yanran; Huo, Da; Lü, Weiming; Yang, Bin; Cao, Wenwu
2017-10-01
A Li and Ta modified (K, Na)NbO3 lead-free single crystal with a large size (13 × 10 × 20 mm3) has been grown by using the top-seeded solution growth method. The large size allows us to carry out an extensive study on this tetragonal crystal. We have measured a complete set of elastic, dielectric, and piezoelectric constants for the [001]C poled crystal with the single domain state. The crystal exhibits high shear piezoelectricity with d15 = 518 pC/N and k15 = 0.733, showing excellent potential in shear electro-sonic energy transformation devices. It is found that the high shear piezoelectricity originates from the vicinity of orthorhombic-tetragonal phase transition, which favors polarization rotation greatly. The orientation dependence of longitudinal dielectric, piezoelectric, and elastic constants and electromechanical coupling factor in the 3-dimentional space were calculated based on the single domain dataset. We believe that this work is of great importance for both fundamental studies and device designs for lead-free materials.
Lv, Xiang
2017-08-07
The mechanisms behind the high piezoelectricity of (K,Na)NbO3-based lead-free ceramics were investigated, including electric field-induced phase transitions and composition-driven nanodomains. The construction of a rhombohedral-tetragonal (R-T) phase boundary, confirmed using several advanced techniques, allowed a large piezoelectric constant (d33) of 450 ± 5 pC/N to be obtained in (1-x)K0.4Na0.6Nb0.945Sb0.055O3-xBi0.5Na0.5(Hf1-ySny)O3 (0 ≤ x ≤ 0.06 and 0 ≤ y ≤ 0.5) ceramics possessing an ultralow ΔUT-R of 7.4 meV. More importantly, the existence of an intermediate phase, i.e., the electric-induced phase (EIP), bridging the rhombohedral R [Ps//(111)] and tetragonal T [Ps//(001)] phases during the polarization rotation was demonstrated. Striped nanodomains (∼40 nm) that easily responded to external stimulation were also observed in the ceramics with an R-T phase. Thus, the enhanced piezoelectric properties originated from EIP and the striped nanodomains.
Malinovschi, V.; Marin, A.; Negrea, D.; Andrei, V.; Coaca, E.
2017-09-01
Layers containing polycrystalline zirconia and amorphous aluminum oxide were obtained by plasma electrolytic oxidation (PEO) of Zr-2.5%Nb alloy in aqueous electrolyte solutions comprising NaAlO2 (pH = 13.0), NaAlO2 and NaOH (pH = 13.2), respectively. The PEO coatings were analyzed by x-ray diffraction (XRD), scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS) and potentiodynamic polarization tests. The deposited coating layers contain mainly tetragonal ZrO2 polycrystalline phase and amorphous aluminum oxide (Al2O3) phase. They have thicknesses between 9.0 and 53.0 µm and are uneven, heterogeneous and porous. Zirconia tetragonal phase stabilization by the aluminum oxide matrix was achieved through the ‘constraint’ mechanism. The corrosion current density values for the PEO layers are lower by 1-2 orders of magnitude than those of the untreated Zr-2.5%Nb alloy.
Wang, X. B.; Wang, H. P.; Dong, T.; Chen, R. Y.; Wang, N. L.
2014-10-01
We present an optical spectroscopy study on P-doped CaFe2As2 which experiences a structural phase transition from tetragonal to collapsed tetragonal (cT) phase near 75 K. The measurement reveals a sudden reduction of low-frequency spectral weight and the emergence of a feature near 3200 cm -1 (0.4 eV) in optical conductivity across the transition, indicating an abrupt reconstruction of band structure. The appearance of the feature is related to the interband transition arising from the sinking of hole bands near the Γ point below Fermi level in the cT phase, as expected from the density function theory calculations in combination with the dynamical mean field theory. However, the reduction of Drude spectral weight is at variance with those calculations. The measurement also indicates an absence of the abnormal spectral weight transfer at high energy (near 0.5-0.7 eV) in the cT phase, suggesting a suppression of the electron correlation effect.
Nekhoroshev theorem for the periodic Toda lattice.
Henrici, Andreas; Kappeler, Thomas
2009-09-01
The periodic Toda lattice with N sites is globally symplectomorphic to a two parameter family of N-1 coupled harmonic oscillators. The action variables fill out the whole positive quadrant of R(N-1). We prove that in the interior of the positive quadrant as well as in a neighborhood of the origin, the Toda Hamiltonian is strictly convex and therefore Nekhoroshev's theorem applies on (almost) all parts of phase space (2000 Mathematics Subject Classification: 37J35, 37J40, 70H06).
Charmed Meson Scattering from Lattice QCD
Moir, Graham
2016-01-01
State-of-the-art lattice QCD calculations of scattering amplitudes in coupled-channel $D\\pi$, $D\\eta$ and $D_{s}\\bar{K}$ scattering, as well elastic $DK$ scattering are discussed. The methodology employed allows a determination of the relevant poles in the scattering matrix, while also providing a measure of the coupling of each channel to a given pole. By investigating $S$, $P$ and $D$ wave interactions, the nature of states with $J^{P} = 0^{+}$, relevant for the $D^{*}_{0}(2400)$ and $D^{*}_{s0}(2317)$, as well as states with $J^{P} = 1^{-}, 2^{+}$ are discussed.
Speed of sound in an optical lattice
Energy Technology Data Exchange (ETDEWEB)
Koinov, Z. [Department of Physics and Astronomy, San Antonio, TX (United States)
2010-10-15
A system of equal mixture of {sup 6}Li atomic Fermi gas of two hyperfine states loaded into a cubic three-dimensional optical lattice is studied assuming a negative scattering length (BCS side of the Feshbach resonance). When the interaction is attractive, fermionic atoms can pair and form a superfluid. The dispersion of the phonon-like mode and the speed of sound in the long-wavelength limit are obtained by solving the Bethe-Salpeter equations for the collective modes of the attractive Hubbard Hamiltonian. (Abstract Copyright [2010], Wiley Periodicals, Inc.)
Mesoscopic quantum coherence in an optical lattice
Haycock; Alsing; Deutsch; Grondalski; Jessen
2000-10-16
We observe the quantum coherent dynamics of atomic spinor wave packets in the double-well potentials of a far-off-resonance optical lattice. With appropriate initial conditions the system Rabi oscillates between the left and right localized states of the ground doublet, and at certain times the wave packet corresponds to a coherent superposition of these mesoscopically distinct quantum states. The atom/optical double-well potential is a flexible and powerful system for further study of quantum coherence, quantum control, and the quantum/classical transition.
Lattice vibrational properties of americium selenide
Arya, B. S.; Aynyas, Mahendra; Sanyal, S. P.
2016-05-01
Lattice vibrational properties of AmSe have been studied by using breathing shell models (BSM) which includes breathing motion of electrons of the Am atoms due to f-d hybridization. The phonon dispersion curves, specific heat calculated from present model. The calculated phonon dispersion curves of AmSe are presented follow the same trend as observed in uranium selenide. We discuss the significance of this approach in predicting the phonon dispersion curves of these compounds and examine the role of electron-phonon interaction.
Algorithms for Disconnected Diagrams in Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Gambhir, Arjun Singh [College of William and Mary, Williamsburg, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Stathopoulos, Andreas [College of William and Mary, Williamsburg, VA (United States); Orginos, Konstantinos [College of William and Mary, Williamsburg, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Yoon, Boram [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gupta, Rajan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Syritsyn, Sergey [Stony Brook Univ., NY (United States)
2016-11-01
Computing disconnected diagrams in Lattice QCD (operator insertion in a quark loop) entails the computationally demanding problem of taking the trace of the all to all quark propagator. We first outline the basic algorithm used to compute a quark loop as well as improvements to this method. Then, we motivate and introduce an algorithm based on the synergy between hierarchical probing and singular value deflation. We present results for the chiral condensate using a 2+1-flavor clover ensemble and compare estimates of the nucleon charges with the basic algorithm.
Complex Dynamical System for Toda Lattice
Konno, Kimiaki
1988-11-01
Extending an independent variable into complex and introducing an auxiliary function, we investigate nonlinear interactions between solitons for the Toda lattice by observing behavior of zeros of the function. The Newton’s method calculating them is identified with a complex dynamical system. We present numerical results of the Fatou set on the dynamics. According to motion of solitons, the set changes surprisingly. Since soliton solutions include the exponential function, the Fatou set is different from that of the polynomial and the rational functions.
Extracting Electric Polarizabilities from Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Will Detmold, William Detmold, Brian Tiburzi, Andre Walker-Loud
2009-05-01
Charged and neutral, pion and kaon electric polarizabilities are extracted from lattice QCD using an ensemble of anisotropic gauge configurations with dynamical clover fermions. We utilize classical background fields to access the polarizabilities from two-point correlation functions. Uniform background fields are achieved by quantizing the electric field strength with the proper treatment of boundary flux. These external fields, however, are implemented only in the valence quark sector. A novel method to extract charge particle polarizabilities is successfully demonstrated for the first time.
Lattice Boltzmann method with restored Galilean invariance.
Prasianakis, N I; Karlin, I V; Mantzaras, J; Boulouchos, K B
2009-06-01
An isothermal model on the standard two-dimension nine-velocity lattice (D2Q9) is proposed and analyzed. It originates from the thermal model with energy conservation introduced by N. I. Prasianakis and I. V. Karlin [Phys. Rev. E 76, 016702 (2007)]. The isothermal and the thermal equivalent models are tested through the simulation of the decay of a shear wave and of a temperature wave. Both are shown to be Galilean invariant, reference temperature independent, and rotational isotropic through the measurement of the transport coefficients on a rotated moving frame of reference.
Spin-dependent potentials from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Koma, Y. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)]|[Mainz Univ. (Germany). Inst. fuer Kernphysik; Koma, M. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)]|[Mainz Univ. (Germany). Inst. fuer Kernphysik]|[Osaka Univ. (JP). Research Center for Nuclear Physics (RCNP)
2006-09-15
The spin-dependent corrections to the static inter-quark potential are phenomenologically relevant to describing the fine and hyperfine spin splitting of the heavy quarkonium spectra. We investigate these corrections, which are represented as the field strength correlators on the quark-antiquark source, in SU(3) lattice gauge theory. We use the Polyakov loop correlation function as the quark-antiquark source, and by employing the multi-level algorithm, we obtain remarkably clean signals for these corrections up to intermediate distances of around 0.6 fm. Our observation suggests several new features of the corrections. (orig.)
KMI Lattice Project on 12-Flavor QCD
Aoki, Yasumichi; Aoyama, Tatsumi; Kurachi, Masafumi; Maskawa, Toshihide; Nagai, Kei-Ichi; Ohki, Hiroshi; Shibata, Akihiro; Yamawaki, Koichi; Yamazaki, Takeshi
2013-03-01
We study the SU(3) gauge theory with twelve flavors of the fundamental fermion. From the perturbative analysis, this theory is expected to be near the edge of the conformal window. The values of the critical exponents such as anomalous dimension are crucial to the walking technicolor scenario. We utilize the HISQ type action to reduce the discretization error and show our preliminary results on the bound state masses and decay constants at several lattice spacings. The finite volume scaling analysis in the conformal hypothesis is performed, from which we discuss anomalous dimension.
Nucleon wave function from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Warkentin, Nikolaus
2008-04-15
In this work we develop a systematic approach to calculate moments of leading-twist and next-to-leading twist baryon distribution amplitudes within lattice QCD. Using two flavours of dynamical clover fermions we determine low moments of nucleon distribution amplitudes as well as constants relevant for proton decay calculations in grand unified theories. The deviations of the leading-twist nucleon distribution amplitude from its asymptotic form, which we obtain, are less pronounced than sometimes claimed in the literature. The results are applied within the light cone sum rule approach to calculate nucleon form factors that are compared with recent experimental data. (orig.)
Optical properties of graphene antidot lattices
DEFF Research Database (Denmark)
Pedersen, Thomas Garm; Flindt, Christian; Pedersen, Jesper Goor
2008-01-01
Undoped graphene is semimetallic and thus not suitable for many electronic and optoelectronic applications requiring gapped semiconductor materials. However, a periodic array of holes (antidot lattice) renders graphene semiconducting with a controllable band gap. Using atomistic modeling, we...... demonstrate that this artificial nanomaterial is a dipole-allowed direct-gap semiconductor with a very pronounced optical-absorption edge. Hence, optical infrared spectroscopy should be an ideal probe of the electronic structure. To address realistic experimental situations, we include effects due to disorder...
The ergodic theory of lattice subgroups
Gorodnik, Alexander
2010-01-01
The results established in this book constitute a new departure in ergodic theory and a significant expansion of its scope. Traditional ergodic theorems focused on amenable groups, and relied on the existence of an asymptotically invariant sequence in the group, the resulting maximal inequalities based on covering arguments, and the transference principle. Here, Alexander Gorodnik and Amos Nevo develop a systematic general approach to the proof of ergodic theorems for a large class of non-amenable locally compact groups and their lattice subgroups. Simple general conditions on the spectral theory of the group and the regularity of the averaging sets are formulated, which suffice to guarantee convergence to the ergodic mean
Mode-locking in coupled map lattices
Carretero-González, R; Vivaldi, F
1997-01-01
We study propagation of pulses along one-way coupled map lattices, which originate from the transition between two superstable states of the local map. The velocity of the pulses exhibits a staircase-like behaviour as the coupling parameter is varied. For a piece-wise linear local map, we prove that the velocity of the wave has a Devil's staircase dependence on the coupling parameter. A wave travelling with rational velocity is found to be stable to parametric perturbations in a manner akin to rational mode-locking for circle maps. We provide evidence that mode-locking is also present for a broader range of maps and couplings.
Crystallographic lattice refinement of human bone.
Handschin, R G; Stern, W B
1992-08-01
X-ray diffraction studies on bone microsamples (human iliac crest of 87 individuals aged 0-90 years) reveal that certain crystallographic parameters such as unit cell volume of bone apatite, and half-width of (002)-reflection are well correlated with age and with type of tissue (corticalis and spongiosa). Similar to inorganic apatite, the lattice parameters of bone apatite are intensely affected by ionic substitutions and vary mainly due to exchange of hydroxyl- and carbonate-apatite and, to a minor extent, of fluor- and chlorapatite.
Electronic properties of disordered graphene antidot lattices
DEFF Research Database (Denmark)
Yuan, Shengjun; Roldán, Rafael; Jauho, Antti-Pekka
2013-01-01
Regular nanoscale perforations in graphene (graphene antidot lattices, GALs) are known to lead to a gap in the energy spectrum, thereby paving a possible way towards many applications. This theoretical prediction relies on a perfect placement of identical perforations, a situation not likely...... for solving the time-dependent Schro¨dinger equation in a tight-binding representation of the graphene sheet [Yuan et al., Phys. Rev. B 82, 115448 (2010)], which allows us to consider GALs consisting of 6400 × 6400 carbon atoms. The central conclusion for all kinds of disorder is that the gaps found...
Jarzynski's theorem for lattice gauge theory
Caselle, Michele; Nada, Alessandro; Panero, Marco; Toniato, Arianna
2016-01-01
Jarzynski's theorem is a well-known equality in statistical mechanics, which relates fluctuations in the work performed during a non-equilibrium transformation of a system, to the free-energy difference between two equilibrium states. In this article, we extend Jarzynski's theorem to lattice gauge theory, and present examples of applications for two challenging computational problems, namely the calculation of interface free energies and the determination of the equation of state. We conclude with a discussion of further applications of interest in QCD and in other strongly coupled gauge theories, in particular for the Schroedinger functional and for simulations at finite density using reweighting techniques.
Universality in Nonequilibrium Lattice Systems Theoretical Foundations
Ódor, Géza
2008-01-01
Universal scaling behavior is an attractive feature in statistical physics because a wide range of models can be classified purely in terms of their collective behavior due to a diverging correlation length. This book provides a comprehensive overview of dynamical universality classes occurring in nonequilibrium systems defined on regular lattices. The factors determining these diverse universality classes have yet to be fully understood, but the book attempts to summarize our present knowledge, taking them into account systematically.The book helps the reader to navigate in the zoo of basic m
Lattice Boltzmann Model for Electronic Structure Simulations
Mendoza, M; Succi, S
2015-01-01
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.
Isoscalar meson spectroscopy from lattice QCD
Dudek, Jozef J; Joo, Balint; Peardon, Michael J; Richards, David G; Thomas, Christopher E
2011-01-01
We extract to high statistical precision an excited spectrum of single-particle isoscalar mesons using lattice QCD, including states of high spin and, for the first time, light exotic JPC isoscalars. The use of a novel quark field construction has enabled us to overcome the long-standing challenge of efficiently including quark-annihilation contributions. Hidden-flavor mixing angles are extracted and while most states are found to be close to ideally flavor mixed, there are examples of large mixing in the pseudoscalar and axial sectors in line with experiment. The exotic JPC isoscalar states appear at a mass scale comparable to the exotic isovector states.
Searching for X(3872) on the lattice
Lee, Song-haeng
The purpose of this dissertation is to provide high-precision lattice quantum chromodynamics (QCD) simulation results for the mass splittings of low-lying charmonium states as the test of the Standard Model, and, further, to study the nature of a higher mass charmonium-like state called X(3872). Since the discovery of charmonium, it has played an important role in the study of QCD. However, it had been impossible to study charmonium energy levels at a low energy regime in QCD perturbative theory due to color connement, which is the consequence of the SU(3) nonabelian gauge theory in QCD. From this point of view, numerical simulation with lattice QCD is a unique method that provides a nonperturbative, ab initio approach for studying hadronic states governed by the strong interactions. In this dissertation, I describe a high-precision study of the splittings of the low-lying charmonium states, particularly the 1S and 1P states, including a chiral-continuum extrapolation. The highly excited charmonium states, discovered in the past decade, are much more challenging to study because their energy levels lie near or above the D0 D0 threshold, so they cannot be explained within the conventional quark model. Among those, we are interested in the narrow charmonium-like state, X(3872), due to its closeness to the DD* threshold and its possible four-quark nature. Since the X(3872) mass is within 1 MeV of the D D* threshold, it is a strong candidate for a D D* molecular state. Therefore, we use interpolating operators including both the conventional, excited P-wave charmonium state, chi c1, and the DD* open charm state for the isospin 0 channel. I provide the theoretical background for the lattice calculation and the corresponding methodologies, report on our high-precision results for the mass splittings of low-lying charmonium states, I introduce a new methodology called the "staggered variational method", which is a variational method applied to the staggered fermion