Determining the Mechanical Properties of Lattice Block Structures

Science.gov (United States)

Wilmoth, Nathan

2013-01-01

Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

Local atomic structure of α-Pu

International Nuclear Information System (INIS)

Espinosa, F. J.; Villella, P.; Lashley, J. C.; Conradson, S. D.; Cox, L. E.; Martinez, R.; Martinez, B.; Morales, L.; Terry, J.; Pereyra, R. A.

2001-01-01

The local atomic structure of α-Pu was investigated using x-ray absorption fine structure (XAFS) spectroscopy. XAFS spectra were obtained for a zone-refined α-Pu and the results were compared to 32-year-old and Ce-doped (0.34 at.%) samples. X-ray diffraction (XRD) patterns were also measured for the zone-refined and 32-year-old materials. The extent of the Bragg peaks showed that amorphization of the 32-year-old sample had not occurred despite the prolonged exposure to self-radiation. Analogous to metastable δ-Pu alloys, the local atomic structure around Pu for the zone-refined material shows the possible presence of noncrystallographic Pu-Pu distances. Conversely, the Ce and the 32-year-old sample show no evidence for such noncrystallographic distances. Disorder in the Pu local environment was found to be impurity dependent. The Ce-doped sample presented a larger Pu-Pu nearest neighbor disorder than the aged sample, although the total amount of Am, U, and He impurities was actually higher in the aged sample. The local environment around U and Ce impurities is consistent with these elements being in substitutional lattice sites. In addition, U and Ce do not introduce significant lattice distortion to their nearest neighbors. This is consistent with disorder being more related to the perturbation of the coupling between the electronic and crystal structure, or the Peierls--Jahn-Teller distortion that generates the monoclinic α-Pu structure, and less to strain fields produced in the vicinity of the impurities

Additive lattice kirigami.

Science.gov (United States)

Castle, Toen; Sussman, Daniel M; Tanis, Michael; Kamien, Randall D

2016-09-01

Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes.

Program LATTICE for Calculation of Parameters of Targets with Heterogeneous (Lattice) Structure

CERN Document Server

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 %.

Thin-walled reinforcement lattice structure for hollow CMC buckets

Science.gov (United States)

de Diego, Peter

2017-06-27

A hollow ceramic matrix composite (CMC) turbine bucket with an internal reinforcement lattice structure has improved vibration properties and stiffness. The lattice structure is formed of thin-walled plies made of CMC. The wall structures are arranged and located according to high stress areas within the hollow bucket. After the melt infiltration process, the mandrels melt away, leaving the wall structure to become the internal lattice reinforcement structure of the bucket.

General point dipole theory for periodic metasurfaces: magnetoelectric scattering lattices coupled to planar photonic structures.

Science.gov (United States)

Chen, Yuntian; Zhang, Yan; Femius Koenderink, A

2017-09-04

We study semi-analytically the light emission and absorption properties of arbitrary stratified photonic structures with embedded two-dimensional magnetoelectric point scattering lattices, as used in recent plasmon-enhanced LEDs and solar cells. By employing dyadic Green's function for the layered structure in combination with the Ewald lattice summation to deal with the particle lattice, we develop an efficient method to study the coupling between planar 2D scattering lattices of plasmonic, or metamaterial point particles, coupled to layered structures. Using the 'array scanning method' we deal with localized sources. Firstly, we apply our method to light emission enhancement of dipole emitters in slab waveguides, mediated by plasmonic lattices. We benchmark the array scanning method against a reciprocity-based approach to find that the calculated radiative rate enhancement in k-space below the light cone shows excellent agreement. Secondly, we apply our method to study absorption-enhancement in thin-film solar cells mediated by periodic Ag nanoparticle arrays. Lastly, we study the emission distribution in k-space of a coupled waveguide-lattice system. In particular, we explore the dark mode excitation on the plasmonic lattice using the so-called array scanning method. Our method could be useful for simulating a broad range of complex nanophotonic structures, i.e., metasurfaces, plasmon-enhanced light emitting systems and photovoltaics.

Bose-Einstein condensates in optical lattices: Band-gap structure and solitons

International Nuclear Information System (INIS)

Louis, Pearl J. Y.; Kivshar, Yuri S.; Ostrovskaya, Elena A.; Savage, Craig M.

2003-01-01

We analyze the existence and stability of spatially extended (Bloch-type) and localized states of a Bose-Einstein condensate loaded into an optical lattice. In the framework of the Gross-Pitaevskii equation with a periodic potential, we study the band-gap structure of the matter-wave spectrum in both the linear and nonlinear regimes. We demonstrate the existence of families of spatially localized matter-wave gap solitons, and analyze their stability in different band gaps, for both repulsive and attractive atomic interactions

Applications of X-ray fluorescence holography to determine local lattice distortions

International Nuclear Information System (INIS)

Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya

2014-01-01

Highlights: • We summarized topics of X-ray fluorescence holography focused on the local lattice distortions. • We found details of behaviors of nearest neighbor atoms around dopants. • We found the average distributions of the atoms at the individual sites in mixed crystals. • Distorted and undistorted sires sometimes coexist in a same mixed crystal. - Abstract: X-ray fluorescence holography (XFH) is a method for investigating atomic order up to the medium ranges, and can provide 3D atomic images around specific elements within a radius of nm order. In addition to these characteristics, XFH is sensitive to positional fluctuations of atoms, and therefore it is useful for characterizing the local lattice distortions around specific elements. We have applied XFH to dopants and mixed crystals. We found interesting features in local lattice distortions, such as the displacements of first-neighbor atoms around dopants, far-sighted views of the atomistic fluctuations in mixed crystals, and the coexistence of distorted/undistorted sites in the same material

Diffusion and transport in locally disordered driven lattices

International Nuclear Information System (INIS)

Wulf, Thomas; Okupnik, Alexander; Schmelcher, Peter

2016-01-01

We study the effect of disorder on the particle density evolution in a classical Hamiltonian driven lattice setup. If the disorder is localized within a finite sub-domain of the lattice, the emergence of strong tails in the density distribution which even increases towards larger positions is shown, thus yielding a highly non-Gaussian particle density evolution. As the key underlying mechanism, we identify the conversion between different components of the unperturbed systems mixed phase space which is induced by the disorder. Based on the introduction of individual conversion rates between chaotic and regular components, a theoretical model is developed which correctly predicts the scaling of the particle density. The effect of disorder on the transport properties is studied where a significant enhancement of the transport for cases of localized disorder is shown, thereby contrasting strongly the merely weak modification of the transport for global disorder.

Diffusion and transport in locally disordered driven lattices

Energy Technology Data Exchange (ETDEWEB)

Wulf, Thomas, E-mail: Thomas.Wulf@physnet.uni-hamburg.de; Okupnik, Alexander [Zentrum für Optische Quantentechnologien, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Schmelcher, Peter, E-mail: Peter.Schmelcher@physnet.uni-hamburg.de [Zentrum für Optische Quantentechnologien, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)

2016-09-15

We study the effect of disorder on the particle density evolution in a classical Hamiltonian driven lattice setup. If the disorder is localized within a finite sub-domain of the lattice, the emergence of strong tails in the density distribution which even increases towards larger positions is shown, thus yielding a highly non-Gaussian particle density evolution. As the key underlying mechanism, we identify the conversion between different components of the unperturbed systems mixed phase space which is induced by the disorder. Based on the introduction of individual conversion rates between chaotic and regular components, a theoretical model is developed which correctly predicts the scaling of the particle density. The effect of disorder on the transport properties is studied where a significant enhancement of the transport for cases of localized disorder is shown, thereby contrasting strongly the merely weak modification of the transport for global disorder.

DFT computations of the lattice constant, stable atomic structure and ...

African Journals Online (AJOL)

This paper presents the most stable atomic structure and lattice constant of Fullerenes (C60). FHI-aims DFT code was used to predict the stable structure and the computational lattice constant of C60. These were compared with known experimental structures and lattice constants of C60. The results obtained showed that ...

Nonlinear localized modes in dipolar Bose-Einstein condensates in optical lattices

International Nuclear Information System (INIS)

Rojas-Rojas, S.; Vicencio, R. A.; Molina, M. I.; Abdullaev, F. Kh.

2011-01-01

Modulational instability and discrete matter wave solitons in dipolar BECs, loaded into a deep optical lattice, are investigated analytically and numerically. The process of modulational instability of nonlinear plane matter waves in a dipolar nonlinear lattice is studied and the regions of instability are established. The existence and stability of bulk discrete solitons are analyzed analytically and confirmed by numerical simulations. In marked contrast with the usual discrete nonlinear Schroedinger behavior (no dipolar interactions), we found a region where the two fundamental modes are simultaneously unstable, allowing enhanced mobility across the lattice for large norm values. To study the existence and properties of surface discrete solitons, an analysis of the dimer configuration is performed. The properties of symmetric and antisymmetric modes including stability diagrams and bifurcations are investigated in closed form. For the case of a bulk medium, properties of fundamental on-site and intersite localized modes are analyzed. On-site and intersite surface localized modes are studied, and we find that they do not exist when nonlocal interactions predominate with respect to local ones.

Twisted mass lattice QCD

International Nuclear Information System (INIS)

Shindler, A.

2007-07-01

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.)

Twisted mass lattice QCD

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.)

One-dimensional map lattices: Synchronization, bifurcations, and chaotic structures

DEFF Research Database (Denmark)

Belykh, Vladimir N.; Mosekilde, Erik

1996-01-01

The paper presents a qualitative analysis of coupled map lattices (CMLs) for the case of arbitrary nonlinearity of the local map and with space-shift as well as diffusion coupling. The effect of synchronization where, independently of the initial conditions, all elements of a CML acquire uniform...... dynamics is investigated and stable chaotic time behaviors, steady structures, and traveling waves are described. Finally, the bifurcations occurring under the transition from spatiotemporal chaos to chaotic synchronization and the peculiarities of CMLs with specific symmetries are discussed....

Designing lattice structures with maximal nearest-neighbor entanglement

Energy Technology Data Exchange (ETDEWEB)

Navarro-Munoz, J C; Lopez-Sandoval, R [Instituto Potosino de Investigacion CientIfica y Tecnologica, Camino a la presa San Jose 2055, 78216 San Luis Potosi (Mexico); Garcia, M E [Theoretische Physik, FB 18, Universitaet Kassel and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), Heinrich-Plett-Str.40, 34132 Kassel (Germany)

2009-08-07

In this paper, we study the numerical optimization of nearest-neighbor concurrence of bipartite one- and two-dimensional lattices, as well as non-bipartite two-dimensional lattices. These systems are described in the framework of a tight-binding Hamiltonian while the optimization of concurrence was performed using genetic algorithms. Our results show that the concurrence of the optimized lattice structures is considerably higher than that of non-optimized systems. In the case of one-dimensional chains, the concurrence increases dramatically when the system begins to dimerize, i.e., it undergoes a structural phase transition (Peierls distortion). This result is consistent with the idea that entanglement is maximal or shows a singularity near quantum phase transitions. Moreover, the optimization of concurrence in two-dimensional bipartite and non-bipartite lattices is achieved when the structures break into smaller subsystems, which are arranged in geometrically distinguishable configurations.

Lattice vibrations of materials for lithium rechargeable batteries II. Lithium extraction-insertion in spinel structures

International Nuclear Information System (INIS)

Julien, C.M.; Camacho-Lopez, M.A.

2004-01-01

Lithiated spinel manganese oxides with various amounts of lithium have been prepared through solid-state reaction and electrochemical intercalation and deintercalation. Local structure of the samples are studied using Raman scattering and Fourier transform infrared spectroscopy. We report vibrational spectra of lithiated manganese oxides Li x Mn 2 O 4 as a function of lithium concentration in the range 0.1≤x≤2.0. Raman and Fourier transform infrared (FTIR) spectral results indicated multiple-phase reactions when the lithium content is modified in the spinel lattice. Lattice dynamics of lithiated spinel manganese oxides have been interpreted using either a classical factor-group analysis or a local environment model. The structural modifications have been studied on the basis of vibrations of LiO 4 tetrahedral and MnO 6 octahedral units when Li/Mn≤0.5, and LiO 4 , LiO 6 , and MnO 6 structural units when Li/Mn>0.5

Enhanced vibronic interaction caused by local lattice symmetry lowering in the (Fe, Mg)As2 ternary system

Science.gov (United States)

Pishtshev, A.; Rubin, P.

2018-04-01

By means of periodic density functional theory (DFT) electronic structure calculations, we investigate iron-site doping effects in a structural model of bulk FeAs2. Simulations performed within the projector augmented-wave method-Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) functional scheme reveal that the impacts of the two stoichiometric substitutions Fe → Mg and Fe → Ni are radically different with respect to the structural and electronic behavior of the dopants. In particular, unlike the Ni dopant, the Mg dopant incorporated in FeAs2 occupies a noncentral equilibrium position characterized by an off-center displacement from the reference higher-symmetry position. Analysis of the respective electron and vibrational factors allows us to explain this result in terms of the local pseudo Jahn-Teller effect (pJTE). On the basis of DFT calculations, we deduce which electron orbitals and lattice vibrational modes are appropriate for promoting the local instability at the origin of the pJTE. Quantitative evaluations of the pJTE parameters performed within the polyatomic formalism of an effective tight-binding model show that it is just the enhanced vibronic interaction in the Mg-[FeAs6] cluster that is responsible for the local lattice symmetry breaking.

Additive-manufactured sandwich lattice structures: A numerical and experimental investigation

Science.gov (United States)

Fergani, Omar; Tronvoll, Sigmund; Brøtan, Vegard; Welo, Torgeir; Sørby, Knut

2017-10-01

The utilization of additive-manufactured lattice structures in engineered products is becoming more and more common as the competitiveness of AM as a production technology has increased during the past several years. Lattice structures may enable important weight reductions as well as open opportunities to build products with customized functional properties, thanks to the flexibility of AM for producing complex geometrical configurations. One of the most critical aspects related to taking AM into new application areas—such as safety critical products—is currently the limited understanding of the mechanical behavior of sandwich-based lattice structure mechanical under static and dynamic loading. In this study, we evaluate manufacturability of lattice structures and the impact of AM processing parameters on the structural behavior of this type of sandwich structures. For this purpose, we conducted static compression testing for a variety of geometry and manufacturing parameters. Further, the study discusses a numerical model capable of predicting the behavior of different lattice structure. A reasonably good correlation between the experimental and numerical results was observed.

Investigations of the EPR parameters and local lattice structure for the rhombic Cu{sup 2+} centre in TZSH crystal

Energy Technology Data Exchange (ETDEWEB)

Li, Chao-Ying; Liu, Shi-Fei; Fu, Jin-Xian [Shangrao Normal University, Jiangxi (China). School of Physics and Electronic Information

2016-07-01

The electron paramagnetic resonance (EPR) parameters [i.e. g factors g{sub i} (i=x, y, z) and hyperfine structure constants A{sub i}] and the local lattice structure for the Cu{sup 2+} centre in Tl{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O (TZSH) crystal were theoretically investigated by utilising the perturbation formulae of these parameters for a 3d{sup 9} ion under rhombically elongated octahedra. In the calculations, the admixture of d orbitals in the ground state and the ligand orbital and spin-orbit coupling interactions are taken into account based on the cluster approach. The theoretical EPR parameters show good agreement with the observed values, and the Cu{sup 2+}-H{sub 2}O bond lengths are obtained as follows: R{sub x}∼1.98 Aa, R{sub y}∼2.09 Aa, R{sub z}∼2.32 Aa. The results are discussed.

Experimentally observed evolution between dynamic patterns and intrinsic localized modes in a driven nonlinear electrical cyclic lattice

Science.gov (United States)

Shige, S.; Miyasaka, K.; Shi, W.; Soga, Y.; Sato, M.; Sievers, A. J.

2018-02-01

Locked intrinsic localized modes (ILMs) and large amplitude lattice spatial modes (LSMs) have been experimentally measured for a driven 1-D nonlinear cyclic electric transmission line, where the nonlinear element is a saturable capacitor. Depending on the number of cells and electrical lattice damping an LSM of fixed shape can be tuned across the modal spectrum. Interestingly, by tuning the driver frequency away from this spectrum the LSM can be continuously converted into ILMs and vice versa. The differences in pattern formation between simulations and experimental findings are due to a low concentration of impurities. Through this novel nonlinear excitation and switching channel in cyclic lattices either energy balanced or unbalanced LSMs and ILMs may occur. Because of the general nature of these dynamical results for nonintegrable lattices applications are to be expected. The ultimate stability of driven aero machinery containing nonlinear periodic structures may be one example.

The local structure of high-temperature superconductors

International Nuclear Information System (INIS)

Mustre de Leon, J.; Conradson, S.D.; Bishop, A.R.; Raistrick, I.D.

1992-01-01

We show how x-ray absorption fine structure (XAFS) has been successfully used in the determination of the local crystal structure of high-temperature superconductors, with advantages over traditional diffraction techniques. We review the experimental results that yielded the first evidence for an axial-oxygen-centered lattice instability connected with the superconductivity transition. The interpretation of this instability in terms of a dynamical tunneling model suggests the presence of polarons in these materials. XAFS on Tl 2 Ba 2 CuO 6 and other Tl-based superconductors indicate the presence of local instabilities in the CuO 2 planes of these materials, in addition to axial-oxygen instabilities

Topology Optimization of Lightweight Lattice Structural Composites Inspired by Cuttlefish Bone

Science.gov (United States)

Hu, Zhong; Gadipudi, Varun Kumar; Salem, David R.

2018-03-01

Lattice structural composites are of great interest to various industries where lightweight multifunctionality is important, especially aerospace. However, strong coupling among the composition, microstructure, porous topology, and fabrication of such materials impedes conventional trial-and-error experimental development. In this work, a discontinuous carbon fiber reinforced polymer matrix composite was adopted for structural design. A reliable and robust design approach for developing lightweight multifunctional lattice structural composites was proposed, inspired by biomimetics and based on topology optimization. Three-dimensional periodic lattice blocks were initially designed, inspired by the cuttlefish bone microstructure. The topologies of the three-dimensional periodic blocks were further optimized by computer modeling, and the mechanical properties of the topology optimized lightweight lattice structures were characterized by computer modeling. The lattice structures with optimal performance were identified.

Mechanical properties of regular hexahedral lattice structure formed by selective laser melting

International Nuclear Information System (INIS)

Sun, Jianfeng; Yang, Yongqiang; Wang, Di

2013-01-01

The Ti–6Al–4V lattice structure is widely used in the aerospace field. This research first designs a regular hexahedral unit, processes the lattice structure composed of the Ti–6Al–4V units by selective laser melting technology, obtains the experimental fracture load and the compression deformation of them through compression tests, then conducts a simulation of the unit and the lattice structure through ANSYS to analyze the failure point. Later, according to the force condition of the point, the model of maximum load is built, through which the analytical formula of the fracture load of the unit and the lattice structure are obtained. The results of groups of experiments demonstrate that there exists an exponential relationship between the practical fracture load and the porosity of the lattice structure. There also exists a trigonometric function relationship between the compression deformation and the porosity of the lattice structure. The fracture analysis indicates that fracture of the units and lattice structure is brittle fracture due to cleavage fracture. (paper)

Physical content of preparation-question structures and Brouwer-Zadeh lattices

Science.gov (United States)

Cattaneo, Gianpiero; Nisticó, Giuseppe

1992-10-01

We give a criterion to compare the physical content of different mathematical structures derived from a preparation-question structure. Then this criterion is used in order to compare the physical content of the (Jauch-Piron's) property lattice with the physical content of the poset of testable properties. We prove that for complete preparation-question structures these two structures carry the same physical content; moreover the set of testable properties has the algebraic structure of the Brouwer-Zadeh lattice. For more general preparation-question structures the physical content of the poset of testable property can be larger than that of the property lattice. Physically relevant examples of the possible cases are given.

Initial Mechanical Testing of Superalloy Lattice Block Structures Conducted

Science.gov (United States)

Krause, David L.; Whittenberger, J. Daniel

2002-01-01

The first mechanical tests of superalloy lattice block structures produced promising results for this exciting new lightweight material system. The testing was performed in-house at NASA Glenn Research Center's Structural Benchmark Test Facility, where small subelement-sized compression and beam specimens were loaded to observe elastic and plastic behavior, component strength levels, and fatigue resistance for hundreds of thousands of load cycles. Current lattice block construction produces a flat panel composed of thin ligaments arranged in a three-dimensional triangulated trusslike structure. Investment casting of lattice block panels has been developed and greatly expands opportunities for using this unique architecture in today's high-performance structures. In addition, advances made in NASA's Ultra-Efficient Engine Technology Program have extended the lattice block concept to superalloy materials. After a series of casting iterations, the nickel-based superalloy Inconel 718 (IN 718, Inco Alloys International, Inc., Huntington, WV) was successfully cast into lattice block panels; this combination offers light weight combined with high strength, high stiffness, and elevated-temperature durability. For tests to evaluate casting quality and configuration merit, small structural compression and bend test specimens were machined from the 5- by 12- by 0.5-in. panels. Linear elastic finite element analyses were completed for several specimen layouts to predict material stresses and deflections under proposed test conditions. The structural specimens were then subjected to room-temperature static and cyclic loads in Glenn's Life Prediction Branch's material test machine. Surprisingly, the test results exceeded analytical predictions: plastic strains greater than 5 percent were obtained, and fatigue lives did not depreciate relative to the base material. These assets were due to the formation of plastic hinges and the redundancies inherent in lattice block construction

arXiv Stochastic locality and master-field simulations of very large lattices

CERN Document Server

Lüscher, Martin

2018-01-01

In lattice QCD and other field theories with a mass gap, the field variables in distant regions of a physically large lattice are only weakly correlated. Accurate stochastic estimates of the expectation values of local observables may therefore be obtained from a single representative field. Such master-field simulations potentially allow very large lattices to be simulated, but require various conceptual and technical issues to be addressed. In this talk, an introduction to the subject is provided and some encouraging results of master-field simulations of the SU(3) gauge theory are reported.

Correlation induced localization of lattice trapped bosons coupled to a Bose–Einstein condensate

Science.gov (United States)

Keiler, Kevin; Krönke, Sven; Schmelcher, Peter

2018-03-01

We investigate the ground state properties of a lattice trapped bosonic system coupled to a Lieb–Liniger type gas. Our main goal is the description and in depth exploration and analysis of the two-species many-body quantum system including all relevant correlations beyond the standard mean-field approach. To achieve this, we use the multi-configuration time-dependent Hartree method for mixtures (ML-MCTDHX). Increasing the lattice depth and the interspecies interaction strength, the wave function undergoes a transition from an uncorrelated to a highly correlated state, which manifests itself in the localization of the lattice atoms in the latter regime. For small interspecies couplings, we identify the process responsible for this cross-over in a single-particle-like picture. Moreover, we give a full characterization of the wave function’s structure in both regimes, using Bloch and Wannier states of the lowest band, and we find an order parameter, which can be exploited as a corresponding experimental signature. To deepen the understanding, we use an effective Hamiltonian approach, which introduces an induced interaction and is valid for small interspecies interaction. We finally compare the ansatz of the effective Hamiltonian with the results of the ML-MCTDHX simulations.

Pawlak algebra and approximate structure on fuzzy lattice.

Science.gov (United States)

Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai

2014-01-01

The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties.

Fractional vortex lattice structures in spin-triplet superconductors

International Nuclear Information System (INIS)

Chung, Suk Bum; Agterberg, Daniel F; Kim, Eun-A

2009-01-01

Motivated by recent interest in spin-triplet superconductors, we investigate the vortex lattice structures for this class of unconventional superconductors. We discuss how the order parameter symmetry can give rise to U(1)xU(1) symmetry in the same sense as in spinor condensates, making half-quantum vortices (HQVs) topologically stable. We then calculate the vortex lattice structure of HQVs, with particular attention on the roles of the crystalline lattice, the Zeeman coupling and Meissner screening, all absent in spinor condensates. Finally, we consider how spin-orbit coupling leads to a breakdown of the U(1)xU(1) symmetry in free energy and whether the HQV lattice survives this symmetry breaking. As examples, we examine simpler spin-triplet models proposed in the context of Na x CoO 2 ·yH 2 O and Bechgaard salts, as well as the better known and more complex model for Sr 2 RuO 4 .

On some classes of two-dimensional local models in discrete two-dimensional monatomic FPU lattice with cubic and quartic potential

International Nuclear Information System (INIS)

Quan, Xu; Qiang, Tian

2009-01-01

This paper discusses the two-dimensional discrete monatomic Fermi–Pasta–Ulam lattice, by using the method of multiple-scale and the quasi-discreteness approach. By taking into account the interaction between the atoms in the lattice and their nearest neighbours, it obtains some classes of two-dimensional local models as follows: two-dimensional bright and dark discrete soliton trains, two-dimensional bright and dark line discrete breathers, and two-dimensional bright and dark discrete breather. (condensed matter: structure, thermal and mechanical properties)

Fluctuating local field method probed for a description of small classical correlated lattices

Science.gov (United States)

Rubtsov, Alexey N.

2018-05-01

Thermal-equilibrated finite classical lattices are considered as a minimal model of the systems showing an interplay between low-energy collective fluctuations and single-site degrees of freedom. Standard local field approach, as well as classical limit of the bosonic DMFT method, do not provide a satisfactory description of Ising and Heisenberg small lattices subjected to an external polarizing field. We show that a dramatic improvement can be achieved within a simple approach, in which the local field appears to be a fluctuating quantity related to the low-energy degree(s) of freedom.

Lattice QCD Calculation of Nucleon Structure

International Nuclear Information System (INIS)

Liu, Keh-Fei; Draper, Terrence

2016-01-01

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, ?NN, 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_D__s, the strangeness and charmness, the meson mass decomposition and the strange quark spin from the

Local coherence and deflation of the low quark modes in lattice QCD

International Nuclear Information System (INIS)

Luescher, Martin

2007-01-01

The spontaneous breaking of chiral symmetry in QCD is known to be linked to a non-zero density of eigenvalues of the massless Dirac operator near the origin. Numerical studies of two-flavour QCD now suggest that the low quark modes are locally coherent to a certain extent. As a consequence, the modes can be simultaneously deflated, using local projectors, with a total computational effort proportional to the lattice volume (rather than its square). Deflation has potentially many uses in lattice QCD. The technique is here worked out for the case of quark propagator calculations, where large speed-up factors and a flat scaling behaviour with respect to the quark mass are achieved

Local coherence and deflation of the low quark modes in lattice QCD

CERN Document Server

Lüscher, Martin

2007-01-01

The spontaneous breaking of chiral symmetry in QCD is known to be linked to a non-zero density of eigenvalues of the massless Dirac operator near the origin. Numerical studies of two-flavour QCD now suggest that the low quark modes are locally coherent to a certain extent. As a consequence, the modes can be simultaneously deflated, using local projectors, with a total computational effort proportional to the lattice volume (rather than its square). Deflation has potentially many uses in lattice QCD. The technique is here worked out for the case of quark propagator calculations, where large speed-up factors and a flat scaling behaviour with respect to the quark mass are achieved.

Reply to comment on: “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, National and Kapodistrian University of Athens, GR-15784 Athens (Greece); Liarokapis, E. [Department of Physics, National Technical University of Athens, GR15780, Athens (Greece)

2017-01-15

Highlights: • A reply to comment by A. Martinelli (PHYSC-D-15-00255) on: “Local lattice distortions vs. structural phase transition in NdFeAsO{sub 1-x}F{sub x}” is presented. • The main conclusions drawn in the commented paper are based on the distinct different temperature evolution for T < 150 K among the superconducting and non-superconducting NdFeAsO{sub 1-x}F{sub x} compounds of both, atomic displacement parameters and Raman mode widths, rather than only on line broadening analysis or the detection of any symmetry breaking in the Raman spectra.

Electronic structure and local distortions in epitaxial ScGaN films

International Nuclear Information System (INIS)

Knoll, S M; Zhang, S; Rovezzi, M; Joyce, T B; Moram, M A

2014-01-01

High energy resolution fluorescence-detected x-ray absorption spectroscopy and density functional theory calculations were used to investigate the local bonding and electronic structure of Sc in epitaxial wurtzite-structure Sc x Ga 1−x N films with x ≤ 0.059. Sc atoms are found to substitute for Ga atoms, accompanied by a local distortion involving an increase in the internal lattice parameter u around the Sc atoms. The local bonding and electronic structure at Sc are not affected strongly by the strain state or the defect microstructure of the films. These data are consistent with theoretical predictions regarding the electronic structure of dilute Sc x Ga 1−x N alloys. (paper)

Local structure in the disordered solid solution of cis- and trans-perinones

DEFF Research Database (Denmark)

Teteruk, Jaroslav L.; Glinnemann, Juergen; Heyse, Winfried

2016-01-01

preferred local arrangements, ordering lengths, and probabilities for the arrangement of neighbouring molecules. The superposition of the atomic positions of all energetically favourable calculated models corresponds well with the experimentally determined crystal structures, explaining not only the atomic....... The crystal structure of the solid solution was determined by single-crystal X-ray analysis. Extensive lattice-energy minimizations with force-field and DFT-D methods were carried out on combinatorially complete sets of ordered models. For the disordered systems, local structures were calculated, including...

Mechanical and electrical strain response of a piezoelectric auxetic PZT lattice structure

Science.gov (United States)

Fey, Tobias; Eichhorn, Franziska; Han, Guifang; Ebert, Kathrin; Wegener, Moritz; Roosen, Andreas; Kakimoto, Ken-ichi; Greil, Peter

2016-01-01

A two-dimensional auxetic lattice structure was fabricated from a PZT piezoceramic. Tape casted and sintered sheets with a thickness of 530 μm were laser cut into inverted honeycomb lattice structure with re-entrant cell geometry (θ = -25°) and poling direction oriented perpendicular to the lattice plane. The in-plane strain response upon applying an uniaxial compression load as well as an electric field perpendicular to the lattice plane were analyzed by a 2D image data detection analysis. The auxetic lattice structure exhibits orthotropic deformation behavior with a negative in-plane Poisson’s ratio of -2.05. Compared to PZT bulk material the piezoelectric auxetic lattice revealed a strain amplification by a factor of 30-70. Effective transversal coupling coefficients {{d}al}31 of the PZT lattice exceeding 4 × 103 pm V-1 were determined which result in an effective hydrostatic coefficient {{d}al}h 66 times larger than that of bulk PZT.

Lattice Modeling of Early-Age Behavior of Structural Concrete

OpenAIRE

Pan, Yaming; Prado, Armando; Porras, Roc?o; Hafez, Omar M.; Bolander, John E.

2017-01-01

The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based ap...

Nucleon structure functions from lattice operator product expansion

Energy Technology Data Exchange (ETDEWEB)

Chambers, A.J.; Somfleth, K.; Young, R.D.; Zanotti, J.M. [Adelaide Univ., SA (Australia). CSSM, Dept. of Physics; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Nakamura, Y. [RIKEN Advanced Institute for Computational Science, Kobe (Japan); Perlt, H.; Schiller, A. [Leipzig Univ. (Germany). Inst. fuer Theoretische Physik; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Div.; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2017-03-15

Deep-inelastic scattering, in the laboratory and on the lattice, is most instructive for understanding how the nucleon is built from quarks and gluons. The long-term goal is to compute the associated structure functions from first principles. So far this has been limited to model calculations. In this Letter we propose a new method to compute the structure functions directly from the virtual, all-encompassing Compton amplitude, utilizing the operator product expansion. This overcomes issues of renormalization and operator mixing, which so far have hindered lattice calculations of power corrections and higher moments.

Nucleon structure functions from lattice operator product expansion

International Nuclear Information System (INIS)

Chambers, A.J.; Somfleth, K.; Young, R.D.; Zanotti, J.M.; Perlt, H.; Schiller, A.

2017-03-01

Deep-inelastic scattering, in the laboratory and on the lattice, is most instructive for understanding how the nucleon is built from quarks and gluons. The long-term goal is to compute the associated structure functions from first principles. So far this has been limited to model calculations. In this Letter we propose a new method to compute the structure functions directly from the virtual, all-encompassing Compton amplitude, utilizing the operator product expansion. This overcomes issues of renormalization and operator mixing, which so far have hindered lattice calculations of power corrections and higher moments.

Large local lattice expansion in graphene adlayers grown on copper

Science.gov (United States)

Chen, Chaoyu; Avila, José; Arezki, Hakim; Nguyen, Van Luan; Shen, Jiahong; Mucha-Kruczyński, Marcin; Yao, Fei; Boutchich, Mohamed; Chen, Yue; Lee, Young Hee; Asensio, Maria C.

2018-05-01

Variations of the lattice parameter can significantly change the properties of a material, and, in particular, its electronic behaviour. In the case of graphene, however, variations of the lattice constant with respect to graphite have been limited to less than 2.5% due to its well-established high in-plane stiffness. Here, through systematic electronic and lattice structure studies, we report regions where the lattice constant of graphene monolayers grown on copper by chemical vapour deposition increases up to 7.5% of its relaxed value. Density functional theory calculations confirm that this expanded phase is energetically metastable and driven by the enhanced interaction between the substrate and the graphene adlayer. We also prove that this phase possesses distinctive chemical and electronic properties. The inherent phase complexity of graphene grown on copper foils revealed in this study may inspire the investigation of possible metastable phases in other seemingly simple heterostructure systems.

Atomic and electronic structures of lattice mismatched Cu{sub 2}O/TiO{sub 2} interfaces

Energy Technology Data Exchange (ETDEWEB)

Wang, Shuzhi [Materials Sciences Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 66, Berkeley, California 94720 (United States); Kavaipatti, Balasubramaniam; Ramesh, Ramamoorthy [Department of Materials Science and Engineering, University of California at Berkeley, Berkeley, California 94720 (United States); Kim, Sung-Joo; Pan, Xiaoqing [Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States); Ager, Joel W.; Wang, Lin-Wang, E-mail: lwwang@lbl.gov [Materials Sciences Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 66, Berkeley, California 94720 (United States); Joint Center of Artificial Photosynthesis, Berkeley, California 94720 (United States)

2014-05-26

Heterojunction interfaces between metal oxides are often highly lattice mismatched. The atomic and electronic structures of such interfaces, however, are not well understood. We have synthesized Cu{sub 2}O/TiO{sub 2} heterojunction thin films with 13% lattice mismatch and studied the interface via experimental methods and large-scale density function theory calculations of supercells containing ∼1300 atoms. We find that an interface of epitaxial quality is formed via a coincidence site lattice of 8 Cu{sub 2}O unit cells matching 9 TiO{sub 2} unit cells. Calculations reveal the existence of a dislocation core of the O sublattices at the interface and a random arrangement of one layer of interfacial Cu atoms. The interfacial electronic structure is found to be mostly determined by the interfacial Cu distribution, rather than by the O dislocation core. The conduction band minimum and valence band maximum states are spatially separated, and there is no strongly localized state near the core.

Local field corrections in the lattice dynamics of chromium | Ndukwe ...

African Journals Online (AJOL)

This work extends the inclusion of local field corrections in the calculation of the phonon dispersion curves to the transition metal, chromium (Cr3+) using the formalism of lattice dynamics based on the transition metal model potential approach in the adiabatic and hatmonic approximations. The results obtained here have a ...

Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

KAUST Repository

Chen, Chen; Joshi, Trinity; Li, Huifang; Chavez, Anton D.; Pedramrazi, Zahra; Liu, Pei-Nian; Li, Hong; Dichtel, William R.; Bredas, Jean-Luc; Crommie, Michael F.

2017-01-01

We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde

Emergent dynamic structures and statistical law in spherical lattice gas automata

Science.gov (United States)

Yao, Zhenwei

2017-12-01

Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to investigate the curvature-driven dynamic structures and analyze the statistical behaviors in equilibrium. Under the simple propagation and collision rules, we show that the uniform collective movement of the particles on the sphere is geometrically frustrated, leading to several nonequilibrium dynamic structures not found in the planar lattice, such as the emergent bubble and vortex structures. With the accumulation of the collision effect, the system ultimately reaches equilibrium in the sense that the distribution of the coarse-grained speed approaches the two-dimensional Maxwell-Boltzmann distribution despite the population fluctuations in the coarse-grained cells. The emergent regularity in the statistical behavior of the system is rationalized by mapping our system to a generalized random walk model. This work demonstrates the capability of the spherical lattice gas automaton in revealing the lattice-guided dynamic structures and simulating the equilibrium physics. It suggests the promising possibility of using lattice gas automata defined on various curved surfaces to explore geometrically driven nonequilibrium physics.

Emergent dynamic structures and statistical law in spherical lattice gas automata.

Science.gov (United States)

Yao, Zhenwei

2017-12-01

Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to investigate the curvature-driven dynamic structures and analyze the statistical behaviors in equilibrium. Under the simple propagation and collision rules, we show that the uniform collective movement of the particles on the sphere is geometrically frustrated, leading to several nonequilibrium dynamic structures not found in the planar lattice, such as the emergent bubble and vortex structures. With the accumulation of the collision effect, the system ultimately reaches equilibrium in the sense that the distribution of the coarse-grained speed approaches the two-dimensional Maxwell-Boltzmann distribution despite the population fluctuations in the coarse-grained cells. The emergent regularity in the statistical behavior of the system is rationalized by mapping our system to a generalized random walk model. This work demonstrates the capability of the spherical lattice gas automaton in revealing the lattice-guided dynamic structures and simulating the equilibrium physics. It suggests the promising possibility of using lattice gas automata defined on various curved surfaces to explore geometrically driven nonequilibrium physics.

Matter-wave localization in disordered cold atom lattices.

Science.gov (United States)

Gavish, Uri; Castin, Yvan

2005-07-08

We propose to observe Anderson localization of ultracold atoms in the presence of a random potential made of atoms of another species or spin state and trapped at the nodes of an optical lattice, with a filling factor less than unity. Such systems enable a nearly perfect experimental control of the disorder, while the possibility of modeling the scattering potentials by a set of pointlike ones allows an exact theoretical analysis. This is illustrated by a detailed analysis of the one-dimensional case.

Local non-Calderbank-Shor-Steane quantum error-correcting code on a three-dimensional lattice

International Nuclear Information System (INIS)

Kim, Isaac H.

2011-01-01

We present a family of non-Calderbank-Shor-Steane quantum error-correcting code consisting of geometrically local stabilizer generators on a 3D lattice. We study the Hamiltonian constructed from ferromagnetic interaction of overcomplete set of local stabilizer generators. The degenerate ground state of the system is characterized by a quantum error-correcting code whose number of encoded qubits are equal to the second Betti number of the manifold. These models (i) have solely local interactions; (ii) admit a strong-weak duality relation with an Ising model on a dual lattice; (iii) have topological order in the ground state, some of which survive at finite temperature; and (iv) behave as classical memory at finite temperature.

Local non-Calderbank-Shor-Steane quantum error-correcting code on a three-dimensional lattice

Science.gov (United States)

Kim, Isaac H.

2011-05-01

We present a family of non-Calderbank-Shor-Steane quantum error-correcting code consisting of geometrically local stabilizer generators on a 3D lattice. We study the Hamiltonian constructed from ferromagnetic interaction of overcomplete set of local stabilizer generators. The degenerate ground state of the system is characterized by a quantum error-correcting code whose number of encoded qubits are equal to the second Betti number of the manifold. These models (i) have solely local interactions; (ii) admit a strong-weak duality relation with an Ising model on a dual lattice; (iii) have topological order in the ground state, some of which survive at finite temperature; and (iv) behave as classical memory at finite temperature.

Extension theorems for homogenization on lattice structures

Science.gov (United States)

Miller, Robert E.

1992-01-01

When applying homogenization techniques to problems involving lattice structures, it is necessary to extend certain functions defined on a perforated domain to a simply connected domain. This paper provides general extension operators which preserve bounds on derivatives of order l. Only the special case of honeycomb structures is considered.

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

Dynamic structure factor for liquid He4 and quantum lattice model

International Nuclear Information System (INIS)

Lee, M.H.

1975-01-01

It has been realized for some time now that the quantum lattice model (or the anisotropic Heisenberg antiferromagnetic model) is a useful model for studying the properties of quantum liquids especially near the lambda transition. The static critical values calculated from the quantum lattice model are in good agreement with the observed values. Furthermore, it was shown recently that there are collective modes in the quantum lattice model which are equivalent to the plasmons. Hence, it would seem to be interesting to study the dynamic structure factor for the quantum lattice model and to make a comparison with experiment. Work on the dynamic structure factor is reported here. (Auth.)

Local structure of Th1-xMO2 solid solutions (M = U, Pu)

International Nuclear Information System (INIS)

Hubert, S.; Heisbourg, G.; Moisy, Ph.; Dacheux, N.; Purans, J.E.

2004-01-01

X-ray absorption spectroscopy of Th 1-x U x O 2 and Th 1-x Pu x O 2 solid solutions was carried out on the Th, U L 3 -edges, and Pu L 3 edge to study the local structure environment of actinide mixed oxides. Various compositions of Th 1-x M x O 2 solid solutions have been prepared through the coprecipitation of the mixed oxalates from chloride or nitrate solutions: x = 0.11, 0.24, 0.37, 0.53, 0.67, 0.81, 0.91 and 1 for Th 1-x U x O 2 , and x = 0.13, 0.32, 0.66 and 1 for Th 1-x Pu x O 2 . They were characterized using X- ray diffraction. XRD analysis allowed to confirm that the variation of the lattice parameters varies linearly with the composition between the end members, suggesting that the atomic volume was conserved regardless of the details of the local distortions of the lattice, following the Vegard's law. Extending X-ray absorption fine structure (EXAFS) provides a direct characterization of the local distortions present in solid solutions. We found that opposite to the lattice parameter obtained by XRD, the interatomic distances given by EXAFS do not follow completely to neither the Vegard's law nor the virtual crystal approximation (VCA). However, the average lattice parameter obtained from EXAFS data for the first and the second shells agrees well with the one calculated from XRD data. (authors)

Effect of local atomic and electronic structures on thermoelectric properties of chemically substituted CoSi

Science.gov (United States)

Hsu, C. C.; Pao, C. W.; Chen, J. L.; Chen, C. L.; Dong, C. L.; Liu, Y. S.; Lee, J. F.; Chan, T. S.; Chang, C. L.; Kuo, Y. K.; Lue, C. S.

2014-05-01

We report the effects of Ge partial substitution for Si on local atomic and electronic structures of thermoelectric materials in binary compound cobalt monosilicides (\\text{CoSi}_{1-x}\\text{Ge}_{x}\\text{:}\\ 0 \\le x \\le 0.15 ). Correlations between local atomic/electronic structure and thermoelectric properties are investigated by means of X-ray absorption spectroscopy. The spectroscopic results indicate that as Ge is partially substituted onto Si sites at x \\le 0.05 , Co in CoSi1-xGex gains a certain amount of charge in its 3d orbitals. Contrarily, upon further replacing Si with Ge at x \\ge 0.05 , the Co 3d orbitals start to lose some of their charge. Notably, thermopower is strongly correlated with charge redistribution in the Co 3d orbital, and the observed charge transfer between Ge and Co is responsible for the variation of Co 3d occupancy number. In addition to Seebeck coefficient, which can be modified by tailoring the Co 3d states, local lattice disorder may also be beneficial in enhancing the thermoelectric properties. Extended X-ray absorption fine structure spectrum results further demonstrate that the lattice phonons can be enhanced by Ge doping, which results in the formation of the disordered Co-Co pair. Improvements in the thermoelectric properties are interpreted based on the variation of local atomic and electronic structure induced by lattice distortion through chemical substitution.

Complete flexural vibration band gaps in membrane-like lattice structures

International Nuclear Information System (INIS)

Yu Dianlong; Liu Yaozong; Qiu Jing; Wang Gang; Zhao Honggang

2006-01-01

The propagation of flexural vibration in the periodical membrane-like lattice structure is studied. The band structure calculated with the plane wave expansion method indicates the existence of complete gaps. The frequency response function of a finite periodic structure is simulated with finite element method. Frequency ranges with vibration attenuation are in good agreement with the gaps found in the band structure. Much larger attenuations are found in the complete gaps comparing to those directional ones. The existence of complete flexural vibration gaps in such a lattice structure provides a new idea for vibration control of thin plates

Localization of Cold Atoms in State-Dependent Optical Lattices via a Rabi Pulse

International Nuclear Information System (INIS)

Horstmann, Birger; Duerr, Stephan; Roscilde, Tommaso

2010-01-01

We propose a novel realization of Anderson localization in nonequilibrium states of ultracold atoms in an optical lattice. A Rabi pulse transfers part of the population to a different internal state with infinite effective mass. These frozen atoms create a quantum superposition of different disorder potentials, localizing the mobile atoms. For weakly interacting mobile atoms, Anderson localization is obtained. The localization length increases with increasing disorder and decreasing interaction strength, contrary to the expectation for equilibrium localization.

An integrable coupling family of Merola-Ragnisco-Tu lattice systems, its Hamiltonian structure and related nonisospectral integrable lattice family

Energy Technology Data Exchange (ETDEWEB)

Xu Xixiang, E-mail: xu_xixiang@hotmail.co [College of Science, Shandong University of Science and Technology, Qingdao, 266510 (China)

2010-01-04

An integrable coupling family of Merola-Ragnisco-Tu lattice systems is derived from a four-by-four matrix spectral problem. The Hamiltonian structure of the resulting integrable coupling family is established by the discrete variational identity. Each lattice system in the resulting integrable coupling family is proved to be integrable discrete Hamiltonian system in Liouville sense. Ultimately, a nonisospectral integrable lattice family associated with the resulting integrable lattice family is constructed through discrete zero curvature representation.

An integrable coupling family of Merola-Ragnisco-Tu lattice systems, its Hamiltonian structure and related nonisospectral integrable lattice family

International Nuclear Information System (INIS)

Xu Xixiang

2010-01-01

An integrable coupling family of Merola-Ragnisco-Tu lattice systems is derived from a four-by-four matrix spectral problem. The Hamiltonian structure of the resulting integrable coupling family is established by the discrete variational identity. Each lattice system in the resulting integrable coupling family is proved to be integrable discrete Hamiltonian system in Liouville sense. Ultimately, a nonisospectral integrable lattice family associated with the resulting integrable lattice family is constructed through discrete zero curvature representation.

Structure Transformation and Coherent Interface in Large Lattice-Mismatched Nanoscale Multilayers

Directory of Open Access Journals (Sweden)

J. Y. Xie

2013-01-01

Full Text Available Nanoscale Al/W multilayers were fabricated by DC magnetron sputtering and characterized by transmission electron microscopy and high-resolution electron microscopy. Despite the large lattice mismatch and significantly different lattice structures between Al and W, a structural transition from face-centered cubic to body-centered cubic in Al layers was observed when the individual layer thickness was reduced from 5 nm to 1 nm, forming coherent Al/W interfaces. For potential mechanisms underlying the observed structure transition and forming of coherent interfaces, it was suggested that the reduction of interfacial energy and high stresses induced by large lattice-mismatch play a crucial role.

Large-Scale, Exhaustive Lattice-Based Structural Auditing of SNOMED CT

Science.gov (United States)

Zhang, Guo-Qiang

One criterion for the well-formedness of ontologies is that their hierarchical structure form a lattice. Formal Concept Analysis (FCA) has been used as a technique for assessing the quality of ontologies, but is not scalable to large ontologies such as SNOMED CT. We developed a methodology called Lattice-based Structural Auditing (LaSA), for auditing biomedical ontologies, implemented through automated SPARQL queries, in order to exhaustively identify all non-lattice pairs in SNOMED CT. The percentage of non-lattice pairs ranges from 0 to 1.66 among the 19 SNOMED CT hierarchies. Preliminary manual inspection of a limited portion of the 518K non-lattice pairs, among over 34 million candidate pairs, revealed inconsistent use of precoordination in SNOMED CT, but also a number of false positives. Our results are consistent with those based on FCA, with the advantage that the LaSA computational pipeline is scalable and applicable to ontological systems consisting mostly of taxonomic links. This work is based on collaboration with Olivier Bodenreider from the National Library of Medicine, Bethesda, USA.

Automatic fuel lattice design in a boiling water reactor using a particle swarm optimization algorithm and local search

International Nuclear Information System (INIS)

Lin Chaung; Lin, Tung-Hsien

2012-01-01

Highlights: ► The automatic procedure was developed to design the radial enrichment and gadolinia (Gd) distribution of fuel lattice. ► The method is based on a particle swarm optimization algorithm and local search. ► The design goal were to achieve the minimum local peaking factor. ► The number of fuel pins with Gd and Gd concentration are fixed to reduce search complexity. ► In this study, three axial sections are design and lattice performance is calculated using CASMO-4. - Abstract: The axial section of fuel assembly in a boiling water reactor (BWR) consists of five or six different distributions; this requires a radial lattice design. In this study, an automatic procedure based on a particle swarm optimization (PSO) algorithm and local search was developed to design the radial enrichment and gadolinia (Gd) distribution of the fuel lattice. The design goals were to achieve the minimum local peaking factor (LPF), and to come as close as possible to the specified target average enrichment and target infinite multiplication factor (k ∞ ), in which the number of fuel pins with Gd and Gd concentration are fixed. In this study, three axial sections are designed, and lattice performance is calculated using CASMO-4. Finally, the neutron cross section library of the designed lattice is established by CMSLINK; the core status during depletion, such as thermal limits, cold shutdown margin and cycle length, are then calculated using SIMULATE-3 in order to confirm that the lattice design satisfies the design requirements.

Intertwined Lattice Deformation and Magnetism in Monovacancy Graphene

OpenAIRE

Padmanabhan, Haricharan; Nanda, B. R. K.

2016-01-01

Using density functional calculations we have investigated the local spin moment formation and lattice deformation in graphene when an isolated vacancy is created. We predict two competing equilibrium structures: a ground state planar configuration with a saturated local moment of 1.5 $\\mu_B$, and a metastable non-planar configuration with a vanishing magnetic moment, at a modest energy expense of ~50 meV. Though non-planarity relieves the lattice of vacancy-induced strain, the planar state i...

Locally Sensitive Lattice-Valued Possibilistic Entropy Functions

Czech Academy of Sciences Publication Activity Database

Kramosil, Ivan

2008-01-01

Roč. 18, č. 6 (2008), s. 469-488 ISSN 1210-0552 R&D Projects: GA AV ČR IAA100300503 Institutional research plan: CEZ:AV0Z10300504 Keywords : complete lattice * chained lattice * lattice-valued possibilistic distribution * possibilistic expected value Subject RIV: BA - General Mathematics Impact factor: 0.395, year: 2008

Vortex lattice structures in YNi2B2C

International Nuclear Information System (INIS)

Yethiraj, M.; Paul, D.M.; Tomy, C.V.; Forgan, E.M.

1997-01-01

The authors observe a flux lattice with square symmetry in the superconductor YNi 2 B 2 C when the applied field is parallel to the c-axis of the crystal. A square lattice observed previously in the isostructural magnetic analog ErNi 2 B 2 C was attributed to the interaction between magnetic order in that system and the flux lattice. Since the Y-based compound does not order magnetically, it is clear that the structure of the flux lattice is unrelated to magnetic order. In fact, they show that the flux lines have a square cross-section when the applied field is parallel to the c-axis of the crystal, since the measured penetration depth along the 100 crystal direction is larger than the penetration depth along the 110 by approximately 60%. This is the likely reason for the square symmetry of the lattice. Although they find considerable disorder in the arrangement of the flux lines at 2.5T, no melting of the vortex lattice was observed

Investigation of the vacuum structure of the Georgi-Glashow model on the lattice

International Nuclear Information System (INIS)

Bornyakov, V.G.; Ilgenfritz, E.M.; Mitrjushkin, V.K.; Zadorozhny, A.M.; Mueller-Preussker, M.

1988-08-01

Distributions and correlations of magnetic fluxes as well as correlations between magnetic fluxes and other local observables are calculated numerically in order to explain the phase structure of the 4D Georgi-Glashow model on the lattice. We use and compare different definitions of magnetic fluxes. The data suggest a simple picture characterizing typical magnetic fluctuations in different regions of the phase space. A relaxation procedure exposes Abelian monopole-loop configurations in one of the phases. (author). 21 refs, 12 figs

Local magnetic structure determination using polarized neutron holography

International Nuclear Information System (INIS)

Szakál, Alex; Markó, Márton; Cser, László

2015-01-01

A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

KAUST Repository

Zhang, Senfu; Zhang, Junwei; Zhang, Qiang; Barton, Craig; Neu, Volker; Zhao, Yuelei; Hou, Zhipeng; Wen, Yan; Gong, Chen; Kazakova, Olga; Wang, Wenhong; Peng, Yong; Garanin, Dmitry A.; Chudnovsky, Eugene M.; Zhang, Xixiang

2018-01-01

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

KAUST Repository

Zhang, Senfu

2018-03-29

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

Science.gov (United States)

Zhang, Senfu; Zhang, Junwei; Zhang, Qiang; Barton, Craig; Neu, Volker; Zhao, Yuelei; Hou, Zhipeng; Wen, Yan; Gong, Chen; Kazakova, Olga; Wang, Wenhong; Peng, Yong; Garanin, Dmitry A.; Chudnovsky, Eugene M.; Zhang, Xixiang

2018-03-01

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Many-body Anderson localization of strongly interacting bosons in random lattices

International Nuclear Information System (INIS)

Katzer, Roman

2015-05-01

In the present work, we investigate the problem of many-body localization of strongly interacting bosons in random lattices within the disordered Bose-Hubbard model. This involves treating both the local Mott-Hubbard physics as well as the non-local quantum interference processes, which give rise to the phenomenon of Anderson localization, within the same theory. In order to determine the interaction induced transition to the Mott insulator phase, it is necessary to treat the local particle interaction exactly. Therefore, here we use a mean-field approach that approximates only the kinetic term of the Hamiltonian. This way, the full problem of interacting bosons on a random lattice is reduced to a local problem of a single site coupled to a particle bath, which has to be solved self-consistently. In accordance to previous works, we find that a finite disorder width leads to a reduced size of the Mott insulating regions. The transition from the superfluid phase to the Bose glass phase is driven by the non-local effect of Anderson localization. In order to describe this transition, one needs to work within a theory that is non-local as well. Therefore, here we introduce a new approach to the problem. Based on the results for the local excitation spectrum obtained within the mean-field theory, we reduce the full, interacting model to an effective, non-interacting model by applying a truncation scheme to the Hilbert space. Evaluating the long-ranged current density within this approximation, we identify the transition from the Bose glass to the superfluid phase with the Anderson transition of the effective model. Resolving this transition using the self-consistent theory of localization, we obtain the full phase diagram of the disordered Bose-Hubbard model in the regime of strong interaction and larger disorder. In accordance to the theorem of inclusions, we find that the Mott insulator and the superfluid phase are always separated by the compressible, but insulating

Structure and lattice dynamics in non-centrosymmetric borates

International Nuclear Information System (INIS)

Stein, W.D.R.

2007-01-01

This thesis deals with a study of structural and lattice dynamical properties of some noncentrosymmetric borates with outstanding non-linear optical properties. The focus was on the compound bismuth triborate (BiB 3 O 6 ). The structure of the tetraborates MB 4 O 7 (M=Pb,Sr,Ba) was also investigated. The structural investigations in bismuth triborate include powder and single crystal diffraction experiments on X-ray and neutron sources. The crystal structure was under examination in the temperature range from 100 K to room temperature and the lattice constants in the temperature range from 20 K to 800 K. The lattice constants show a nearly linear dependency from temperature. Our observations are in good agreement with investigations of the thermal expansion, which shows a strong anisotropy within the layer-like structure of bismuth triborate. Within the borate layers, along the polar axis a strong positive and in the orthogonal direction a negative thermal expansion is observed. This effect can be explained by a zig-zag effect within the borate layers. The lone electron pair at the bismuth atom is discussed to be possibly the origin of the temperature dependency of the coordination environment of the bismuth atom. The influence of the lone electron pair on the crystal structure is raising by lowering the temperature. At the bismuth atom distinct anharmonic effects are observed, where the maximum points along the direction of the polar axis and therefore along the direction of the lone electron pair. The phonon dispersion of bismuth triborate has been investigated by inelastic neutron scattering. The low symmetry of the crystal structure depicts to be a special challenge. The dispersion was observed along the three reciprocal lattice constants. Along the polar axis the dispersion could be characterized to a maximum energy of 20 THz. The low energy acoustic branch along the polar axis shows a softening at the zone boundary. In the orthogonal directions the dispersion

Modeling of Triangular Lattice Space Structures with Curved Battens

Science.gov (United States)

Chen, Tzikang; Wang, John T.

2005-01-01

Techniques for simulating an assembly process of lattice structures with curved battens were developed. The shape of the curved battens, the tension in the diagonals, and the compression in the battens were predicted for the assembled model. To be able to perform the assembly simulation, a cable-pulley element was implemented, and geometrically nonlinear finite element analyses were performed. Three types of finite element models were created from assembled lattice structures for studying the effects of design and modeling variations on the load carrying capability. Discrepancies in the predictions from these models were discussed. The effects of diagonal constraint failure were also studied.

Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

Science.gov (United States)

Dias, R. G.; Gouveia, J. D.

2015-11-01

We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette.

Local lattice relaxations in random metallic alloys: Effective tetrahedron model and supercell approach

DEFF Research Database (Denmark)

Ruban, Andrei; Simak, S.I.; Shallcross, S.

2003-01-01

We present a simple effective tetrahedron model for local lattice relaxation effects in random metallic alloys on simple primitive lattices. A comparison with direct ab initio calculations for supercells representing random Ni0.50Pt0.50 and Cu0.25Au0.75 alloys as well as the dilute limit of Au-ri......-rich CuAu alloys shows that the model yields a quantitatively accurate description of the relaxtion energies in these systems. Finally, we discuss the bond length distribution in random alloys....

The fixed point structure of lattice field theories

International Nuclear Information System (INIS)

Baier, R.; Reusch, H.J.; Lang, C.B.

1989-01-01

Monte-Carlo renormalization group methods allow to analyze lattice regularized quantum field theories. The properties of the quantized field theory in the continuum may be recovered at a critical point of the lattice model. This requires a study of the phase diagram and the renormalization flow structure of the coupling constants. As an example the authors discuss the results of a recent MCRG investigation of the SU(2) adjoint Higgs model, where they find evidence for the existence of a tricritical point at finite values of the inverse gauge coupling β

On the structure of Lattice code WIMSD-5B

International Nuclear Information System (INIS)

Kim, Won Young; Min, Byung Joo

2004-03-01

The WIMS-D code is a freely available thermal reactor physics lattice code used widely for thermal research and power reactor calculation. Now the code WIMS-AECL, developed on the basis of WIMS-D, has been used as one of lattice codes for the cell calculation in Canada and also, in 1998, the latest version WIMSD-5B is released for OECD/NEA Data Bank. While WIMS-KAERI was developed and has been used, originated from WIMS-D, in Korea, it was adjusted for the cell calculation of research reactor HANARO and so it has no confirmaty to CANDU reactor. Therefore, the code development applicable to cell calculation of CANDU reactor is necessary not only for technological independence and but also for the establishment of CANDU safety analysis system. A lattice code WIMSD-5B was analyzed in order to set the system of reactor physics computer codes, to be used in the assessment of void reactivity effect. In order to improve and validate WIMSD-5B code, the analysis of the structure of WIMSD-5B lattice code was made and so its structure, algorithm and the subroutines of WIMSD-5B were presented for the cluster type and the pij method modelling the CANDU-6 fuel

Lattice Automata for Control of Self-Reconfigurable Robots

DEFF Research Database (Denmark)

Støy, Kasper

2015-01-01

are extreme versatility and robustness. The organisation of self-reconfigurable robots in a lattice structure and the emphasis on local communication between modules mean that lattice automata are a useful basis for control of self-reconfigurable robots. However, there are significant differences which arise...... mainly from the physical nature of self-reconfigurable robots as opposed to the virtual nature of lattice automata. The problems resulting from these differences are mutual exclusion, handling motion constraints of modules, and unrealistic assumption about global, spatial orientation. Despite...... these problems the self-reconfigurable robot community has successfully applied lattice automata to simple control problems. However, for more complex problems hybrid solutions based on lattice automata and distributed algorithms are used. Hence, lattice automata have shown to have potential for the control...

Nucleon Structure Functions from Operator Product Expansion on the Lattice.

Science.gov (United States)

Chambers, A J; Horsley, R; Nakamura, Y; Perlt, H; Rakow, P E L; Schierholz, G; Schiller, A; Somfleth, K; Young, R D; Zanotti, J M

2017-06-16

Deep-inelastic scattering, in the laboratory and on the lattice, is most instructive for understanding how the nucleon is built from quarks and gluons. The long-term goal is to compute the associated structure functions from first principles. So far this has been limited to model calculations. In this Letter we propose a new method to compute the structure functions directly from the virtual, all-encompassing Compton amplitude, utilizing the operator product expansion. This overcomes issues of renormalization and operator mixing, which so far have hindered lattice calculations of power corrections and higher moments.

Superalloy Lattice Block Developed for Use in Lightweight, High-Temperature Structures

Science.gov (United States)

Hebsur, Mohan G.; Whittenberger, J. Daniel; Krause, David L.

2003-01-01

Successful development of advanced gas turbine engines for aircraft will require lightweight, high-temperature components. Currently titanium-aluminum- (TiAl) based alloys are envisioned for such applications because of their lower density (4 g/cm3) in comparison to superalloys (8.5 g/cm3), which have been utilized for hot turbine engine parts for over 50 years. However, a recently developed concept (lattice block) by JAMCORP, Inc., of Willmington, Massachusetts, would allow lightweight, high-temperature structures to be directly fabricated from superalloys and, thus, take advantage of their well-known, characterized properties. In its simplest state, lattice block is composed of thin ligaments arranged in a three dimensional triangulated trusslike configuration that forms a structurally rigid panel. Because lattice block can be fabricated by casting, correctly sized hardware is produced with little or no machining; thus very low cost manufacturing is possible. Together, the NASA Glenn Research Center and JAMCORP have extended their lattice block methodology for lower melting materials, such as Al alloys, to demonstrate that investment casting of superalloy lattice block is possible. This effort required advances in lattice block pattern design and assembly, higher temperature mold materials and mold fabrication technology, and foundry practice suitable for superalloys (ref. 1). Lattice block panels have been cast from two different Ni-base superalloys: IN 718, which is the most commonly utilized superalloy and retains its strength up to 650 C; and MAR M247, which possesses excellent mechanical properties to at least 1100 C. In addition to the open-cell lattice block geometry, same-sized lattice block panels containing a thin (1-mm-thick) solid face on one side have also been cast from both superalloys. The elevated-temperature mechanical properties of the open cell and face-sheeted superalloy lattice block panels are currently being examined, and the

Localized electromagnetic modes and transmission spectrum of one-dimensional photon crystal with lattice defects

CERN Document Server

Vetrov, S Y

2001-01-01

The properties of the localized electromagnetic modes in the one-dimensional photon crystal with a structural defective layer are studied. The anisotropic layer of the nematic liquid layer is considered as the defect. It is shown that the frequency and coefficient of the defective modes attenuation essentially depend on the defective layer thickness and nematic optical axis orientation. The spectrum of the photon crystal transmittance with one or two defects in the lattice is studied. The possibility of controlling the the photon crystal transmittance spectrum on the count of changing the orientation of the nematic optical axis, for example, through the external electric field is shown with an account of strong anisotropy of the dielectric permittivity

Nucleon Structure from Lattice QCD

International Nuclear Information System (INIS)

Zanotti, J. M.

2011-01-01

Lattice simulations of hadronic structure are now reaching a level where they are able to not only complement, but also provide guidance to current and forthcoming experimental programmes.By considering new simulations at low quark masses and on large volumes, we review the recent progress that has been made in this area by the QCDSF/UKQCD collaboration. In particular, results obtained close to the physical point for several quantities, including electromagnetic form factors and moments of parton distribution functions, show some indication of approaching their phenomenological values.

Anderson localization in bipartite lattices

International Nuclear Information System (INIS)

Fabrizio, Michele; Castellani, Claudio

2000-01-01

We study the localization properties of a disordered tight-binding Hamiltonian on a generic bipartite lattice close to the band center. By means of a fermionic replica trick method, we derive the effective non-linear σ-model describing the diffusive modes, which we analyse by using the Wilson-Polyakov renormalization group. In addition to the standard parameters which define the non-linear σ-model, namely, the conductance and the external frequency, a new parameter enters, which may be related to the fluctuations of the staggered density of states. We find that, when both the regular hopping and the disorder only couple one sublattice to the other, the quantum corrections to the Kubo conductivity vanish at the band center, thus implying the existence of delocalized states. In two dimensions, the RG equations predict that the conductance flows to a finite value, while both the density of states and the staggered density of states fluctuations diverge. In three dimensions, we find that, sufficiently close to the band center, all states are extended, independently of the disorder strength. We also discuss the role of various symmetry breaking terms, as a regular hopping between same sublattices, or an on-site disorder

Anderson localization in bipartite lattices

International Nuclear Information System (INIS)

Fabrizio, M.; Castellani, C.

2000-04-01

We study the localization properties of a disordered tight-binding Hamiltonian on a generic bipartite lattice close to the band center. By means of a fermionic replica trick method, we derive the effective non-linear σ-model describing the diffusive modes, which we analyse by using the Wilson-Polyakov renormalization group. In addition to the standard parameters which define the non-linear σ-model, namely the conductance and the external frequency, a new parameter enters, which may be related to the fluctuations of the staggered density of states. We find that, when both the regular hopping and the disorder only couple one sublattice to the other, the quantum corrections to the Kubo conductivity vanish at the band center, thus implying the existence of delocalized states. In two dimensions, the RG equations predict that the conductance flows to a finite value, while both the density of states and the staggered density of states fluctuations diverge. In three dimensions, we find that, sufficiently close to the band center, all states are extended, independently of the disorder strength. We also discuss the role of various symmetry breaking terms, as a regular hopping between same sublattices, or an on-site disorder. (author)

Phase-controlled localization and directed transport in an optical bipartite lattice.

Science.gov (United States)

Hai, Kuo; Luo, Yunrong; Lu, Gengbiao; Hai, Wenhua

2014-02-24

We investigate coherent control of a single atom interacting with an optical bipartite lattice via a combined high-frequency modulation. Our analytical results show that the quantum tunneling and dynamical localization can depend on phase difference between the modulation components, which leads to a different route for the coherent destruction of tunneling and a convenient phase-control method for stabilizing the system to implement the directed transport of atom. The similar directed transport and the phase-controlled quantum transition are revealed for the corresponding many-particle system. The results can be referable for experimentally manipulating quantum transport and transition of cold atoms in the tilted and shaken optical bipartite lattice or of analogical optical two-mode quantum beam splitter, and also can be extended to other optical and solid-state systems.

Violations of local equilibrium and linear response in classical lattice systems

International Nuclear Information System (INIS)

Aoki, Kenichiro; Kusnezov, Dimitri

2003-01-01

We quantitatively and systematically analyze how local equilibrium, and linear response in transport are violated as systems move far from equilibrium. This is done by studying heat flow in classical lattice models with and without bulk transport behavior, in 1-3 dimensions, at various temperatures. Equations of motion for the system are integrated numerically to construct the non-equilibrium steady states. Linear response and local equilibrium assumptions are seen to break down in a similar manner. We quantify the breakdown through the analysis of both microscopic and macroscopic observables and examine its transformation properties under general redefinitions of the non-equilibrium temperature

Piezoelectricity and pyroelectricity in polyvinylidene fluoride - Influence of the lattice structure

Science.gov (United States)

Purvis, C. K.; Taylor, P. L.

1983-01-01

Piezoelectric and pyroelectric responses of beta-phase (Phase I) polyvinylidene fluoride are predicted for a model system of polarizable point dipoles. The model incorporates the influence of the orthorhombic crystal structure by including the dependence of the internal electric field on the lattice parameters. Strong anisotropy in the piezoelectric response under uniaxial stress is predicted as a consequence of the orthorhombic lattice structure. Predictions are found to be in reasonable agreement with room-temperature experimental data.

Microscopic theory for coupled atomistic magnetization and lattice dynamics

Science.gov (United States)

Fransson, J.; Thonig, D.; Bessarab, P. F.; Bhattacharjee, S.; Hellsvik, J.; Nordström, L.

2017-12-01

A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange interactions between the electron spin and magnetic moment and the local couplings between the electronic charge and lattice displacements. An effective action for the spin and lattice variables is constructed in which the interactions among the spin and lattice components are determined by the underlying electronic structure. In this way, expressions are obtained for the electronically mediated couplings between the spin and lattice degrees of freedom, besides the well known interatomic force constants and spin-spin interactions. These former susceptibilities provide an atomistic ab initio description for the coupled spin and lattice dynamics. It is important to notice that this theory is strictly bilinear in the spin and lattice variables and provides a minimal model for the coupled dynamics of these subsystems and that the two subsystems are treated on the same footing. Questions concerning time-reversal and inversion symmetry are rigorously addressed and it is shown how these aspects are absorbed in the tensor structure of the interaction fields. By means of these results regarding the spin-lattice coupling, simple explanations of ionic dimerization in double-antiferromagnetic materials, as well as charge density waves induced by a nonuniform spin structure, are given. In the final parts, coupled equations of motion for the combined spin and lattice dynamics are constructed, which subsequently can be reduced to a form which is analogous to the Landau-Lifshitz-Gilbert equations for spin dynamics and a damped driven mechanical oscillator for the ionic motion. It is important to notice, however, that these equations comprise contributions that couple these descriptions into one unified formulation. Finally, Kubo-like expressions for

Excitation-dependent local symmetry reversal in single host lattice Ba2A(BO3)2:Eu3+ [A = Mg and Ca] phosphors with tunable emission colours.

Science.gov (United States)

Jayakiruba, S; Chandrasekaran, S Selva; Murugan, P; Lakshminarasimhan, N

2017-07-05

Eu 3+ activated phosphors are widely used as red emitters in various display devices and light emitting diodes (LEDs). The emission characteristics of Eu 3+ depend on the local site symmetry. The present study demonstrates the role of excitation-dependent local symmetry changes due to the structural reorganization on the emission colour tuning of Eu 3+ from orange-red to orange in single host lattices, Ba 2 Mg(BO 3 ) 2 and Ba 2 Ca(BO 3 ) 2 . The choice of these lattices was based on the difference in the extent of strain experienced by the oxygen atoms. The samples with Eu 3+ at Ba or Mg (Ca) sites were synthesized using the conventional high-temperature solid-state reaction method. The samples were characterized using powder XRD, 11 B MAS-NMR, FT-IR, and diffuse reflectance UV-Vis spectroscopic techniques. The room temperature photoluminescence (PL) recorded using different excitation wavelengths revealed a clear difference in the PL emission features due to symmetry reversal from non-inversion to inversion symmetry around Eu 3+ . The reorganization of highly strained oxygen atoms leads to such symmetry reversal. First-principles calculations were used to deduce the optimized structures of the two borate host lattices, and local geometries and their distortions upon Eu 3+ substitution. The outcomes of these calculations support the experimental findings.

Loading mode dependent effective properties of octet-truss lattice structures using 3D-printing

Science.gov (United States)

Challapalli, Adithya

Cellular materials, often called lattice materials, are increasingly receiving attention for their ultralight structures with high specific strength, excellent impact absorption, acoustic insulation, heat dissipation media and compact heat exchangers. In alignment with emerging additive manufacturing (AM) technology, realization of the structural applications of the lattice materials appears to be becoming faster. Considering the direction dependent material properties of the products with AM, by directionally dependent printing resolution, effective moduli of lattice structures appear to be directionally dependent. In this paper, a constitutive model of a lattice structure, which is an octet-truss with a base material having an orthotropic material property considering AM is developed. In a case study, polyjet based 3D printing material having an orthotropic property with a 9% difference in the principal direction provides difference in the axial and shear moduli in the octet-truss by 2.3 and 4.6%. Experimental validation for the effective properties of a 3D printed octet-truss is done for uniaxial tension and compression test. The theoretical value based on the micro-buckling of truss member are used to estimate the failure strength. Modulus value appears a little overestimate compared with the experiment. Finite element (FE) simulations for uniaxial compression and tension of octettruss lattice materials are conducted. New effective properties for the octet-truss lattice structure are developed considering the observed behavior of the octet-truss structure under macroscopic compression and tension trough simulations.

In vivo XCT bone characterization of lattice structured implants fabricated by additive manufacturing

Directory of Open Access Journals (Sweden)

A-F. Obaton

2017-08-01

Full Text Available Several cylindrical specimens and dental implants, presenting diagonal lattice structures with different cell sizes (600, 900 and 1200 μm were additively manufactured by selective laser melting process. Then they were implanted for two months in a sheep. After removal, they were studied by Archimedes’ method as well as X-ray computed tomography in order to assess the penetration of bone into the lattice. We observed that the additive manufactured parts were geometrically conformed to the theoretical specifications. However, several particles were left adhering to the surface of the lattice, thereby partly or entirely obstructing the cells. Nevertheless, bone penetration was clearly visible. We conclude that the 900 μm lattice cell size is more favourable to bone penetration than the 1200 μm lattice cell size, as the bone penetration is 84% for 900 μm against 54% for 1200 μm cell structures. The lower bone penetration value for the 1200 μm lattice cell could possibly be attributed to the short residence time in the sheep. Our results lead to the conclusion that lattice implants additively manufactured by selective laser melting enable better bone integration.

The equivalent thermal conductivity of lattice core sandwich structure: A predictive model

International Nuclear Information System (INIS)

Cheng, Xiangmeng; Wei, Kai; He, Rujie; Pei, Yongmao; Fang, Daining

2016-01-01

Highlights: • A predictive model of the equivalent thermal conductivity was established. • Both the heat conduction and radiation were considered. • The predictive results were in good agreement with experiment and FEM. • Some methods for improving the thermal protection performance were proposed. - Abstract: The equivalent thermal conductivity of lattice core sandwich structure was predicted using a novel model. The predictive results were in good agreement with experimental and Finite Element Method results. The thermal conductivity of the lattice core sandwich structure was attributed to both core conduction and radiation. The core conduction caused thermal conductivity only relied on the relative density of the structure. And the radiation caused thermal conductivity increased linearly with the thickness of the core. It was found that the equivalent thermal conductivity of the lattice core sandwich structure showed a highly dependent relationship on temperature. At low temperatures, the structure exhibited a nearly thermal insulated behavior. With the temperature increasing, the thermal conductivity of the structure increased owing to radiation. Therefore, some attempts, such as reducing the emissivity of the core or designing multilayered structure, are believe to be of benefit for improving the thermal protection performance of the structure at high temperatures.

Structures and Dynamics of Two-Dimensional Dust Lattices with and without Coulomb Molecules in Plasmas

International Nuclear Information System (INIS)

Huang Feng; Wang Xue-Jin; Liu Yan-Hong; Ye Mao-Fu; Wang Long

2010-01-01

Structures and dynamics of two-dimensional dust lattices with and without Coulomb molecules in plasmas are investigated. The experimental results show that the lattices have the crystal-like hexagonal structures, i.e. most particles have six nearest-neighboring particles. However, the lattice points can be occupied by the individual particles or by a pair of particles called Coulomb molecules. The pair correlation function is used to compare the structures between the lattices with or without the Coulomb molecules. In the experiments, the Coulomb molecules can also decompose and recombine with another individual particle to form a new molecule. (physics of gases, plasmas, and electric discharges)

Local Structure and Magnetism of (Ga,Mn)As

CERN Document Server

AUTHOR|(CDS)2093111; Temst, Kristiaan

Throughout the years, dilute magnetic semiconductors (DMS) have emerged as promising materials for semiconductor-based spintronics. In particular, (Ga,Mn)As has become the model system in which to explore the physics of carrier-mediated ferromagnetism in semiconductors and the associated spintronic phenomena, with a number of interesting functionalities and demonstrated proof-of-concept devices. It constitutes the perfect example of how the magnetic behavior of DMS materials is strongly influenced by local structure. In this thesis, we address key aspects of the interplay between local structure and ferromagnetism of (Ga,Mn)As. We unambiguously identify the lattice site occupied by interstitial Mn as the tetrahedral interstitial site with As nearest neighbors T(As). We show, furthermore, that the T(As) is the most energetically favorable site regardless of the interstitial atom forming or not complexes with substitutional Mn. We also evaluate the thermal stability of both interstitial and substitutional Mn si...

Multiplicative congruential generators, their lattice structure, its relation to lattice-sublattice transformations and applications in crystallography

Science.gov (United States)

Hornfeck, W.; Harbrecht, B.

2009-11-01

An analysis of certain types of multiplicative congruential generators - otherwise known for their application to the sequential generation of pseudo-random numbers - reveals their relation to lattice-sublattice transformations and the coordinate description of crystal structures.

Investigation of hadronic structure by solving QCD on a lattice

International Nuclear Information System (INIS)

Grandy, J.M.

1992-01-01

Various aspects of hadronic structure are investigated by means of lattice calculations. The measurements focus on equal-time quark wavefunctions, correlations of density operators, and vacuum correlators of hadronic currents, with additional measurements of Wilson loops and hadron masses as a consistency check. The wavefunctions are shown to be consistent with a confinement model prediction. The effect of hyperfine splitting on the wavefunctions is shown to agree closely with the quark model prediction. The computed quark density correlations for the pion, rho, and proton at long range are compared with the expected asymptotic behavior. The density correlation also provides a basis for comparing the spatial extent of quark pairs surrounding the hadron with the extent of the valence quark wavefunction. Vacuum correlation functions of hadronic currents are compared with phenomenological fits to experimental data and sum rule calculations. Hadronic observable calculations are performed by evaluating path integrals in imaginary time using a Monte Carlo technique. Lattices with 16 points in the time direction and spatial volume of 12 3 and 16 3 points are used. The physical lattice spacing is 0.2 fm, and the physical volume of the lattice is large enough that the effect of spatial boundary conditions on the long range structure of the particles can be corrected in a linear fashion

Local structure of disordered Au-Cu and Au-Ag alloys

International Nuclear Information System (INIS)

Frenkel, A. I.; Machavariani, V. Sh.; Rubshtein, A.; Rosenberg, Yu.; Voronel, A.; Stern, E. A.

2000-01-01

X-ray-absorption fine structure (XAFS) and x-ray-diffraction (XRD) measurements of disordered alloys Au x Cu 1-x and Au 0.5 Ag 0.5 prepared by melt spinning were performed. In the Au 0.5 Ag 0.5 alloy, no significant local deviations of the atoms from the average fcc lattice were detected while in Au x Cu 1-x alloys, significant deviations of atoms from the average fcc lattice were found. Mean-square vibrations of the Cu-Cu distances revealed by the XAFS in Au x Cu 1-x alloys indicate the weakening of contact between Cu atoms in the dilute limit. Our computer simulation for Au x Cu 1-x clusters of 10 5 atoms reproduces the main features of both the XAFS and XRD data

A conceivable lattice structure of the Coulomb law

International Nuclear Information System (INIS)

Papp, E.; Santilli, R.M.

1983-01-01

A few heuristic remarks on recent extensions of the Coulomb law via effective potentials and other means, which appear to admit a lattice structure in time and space whose spacing are given by the characteristic period of the elctron and its Compton wave-length, respectively, are presented

Vitreous in lattice degeneration of retina.

Science.gov (United States)

Foos, R Y; Simons, K B

1984-05-01

A localized pocket of missing vitreous invariably overlies lattice degeneration of the retina. Subjects with lattice also have a higher rate of rhegmatogenous retinal detachment, which is usually a complication of retinal tears. The latter are in turn a result of alterations in the central vitreous--that is, synchysis senilis leading to posterior vitreous detachment. In order to determine if there is either an association or a deleterious interaction between the local and central lesions of the vitreous in eyes with lattice, a comparison was made in autopsy eyes with and without lattice the degree of synchysis and rate of vitreous detachment. Results show no association between the local and central vitreous lesions, indicating that a higher rate of vitreous detachment is not the basis for the higher rate of retinal detachment in eyes with lattice. Also, there was no suggestion of deleterious interaction between the local and central vitreous lesions, either through vitreodonesis as a basis for precocious vitreous detachment, or through a greater degree of synchysis as a basis for interconnection of local and central lacunae (which could extend the localized retinal detachment in eyes with holes in lattice degeneration).

Strength analysis and modeling of cellular lattice structures manufactured using selective laser melting for tooling applications

DEFF Research Database (Denmark)

Mahshid, Rasoul; Hansen, Hans Nørgaard; Loft Højbjerre, Klaus

2016-01-01

Additive manufacturing is rapidly developing and gaining popularity for direct metal fabrication systems like selective laser melting (SLM). The technology has shown significant improvement for high-quality fabrication of lightweight design-efficient structures such as conformal cooling channels...... in injection molding tools and lattice structures. This research examines the effect of cellular lattice structures on the strength of workpieces additively manufactured from ultra high-strength steel powder. Two commercial SLM machines are used to fabricate cellular samples based on four architectures— solid......, hollow, lattice structure and rotated lattice structure. Compression test is applied to the specimens while they are deformed. The analytical approach includes finite element (FE), geometrical and mathematical models for prediction of collapse strength. The results from the the models are verified...

Effect of interactions on the localization of a Bose-Einstein condensate in a quasi-periodic lattice

OpenAIRE

Lye, J. E.; Fallani, L.; Fort, C.; Guarrera, V.; Modugno, M.; Wiersma, D. S.; Inguscio, M.

2006-01-01

The transport properties of a Bose-Einstein condensate in a 1D incommensurate bichromatic lattice are investigated both theoretically and experimentally. We observe a blockage of the center of mass motion with low atom number, and a return of motion when the atom number is increased. Solutions of the Gross-Pitaevskii equation show how the localization due to the quasi-disorder introduced by the incommensurate bichromatic lattice is affected by the interactions.

Improved local lattice Monte Carlo simulation for charged systems

Science.gov (United States)

Jiang, Jian; Wang, Zhen-Gang

2018-03-01

Maggs and Rossetto [Phys. Rev. Lett. 88, 196402 (2002)] proposed a local lattice Monte Carlo algorithm for simulating charged systems based on Gauss's law, which scales with the particle number N as O(N). This method includes two degrees of freedom: the configuration of the mobile charged particles and the electric field. In this work, we consider two important issues in the implementation of the method, the acceptance rate of configurational change (particle move) and the ergodicity in the phase space sampled by the electric field. We propose a simple method to improve the acceptance rate of particle moves based on the superposition principle for electric field. Furthermore, we introduce an additional updating step for the field, named "open-circuit update," to ensure that the system is fully ergodic under periodic boundary conditions. We apply this improved local Monte Carlo simulation to an electrolyte solution confined between two low dielectric plates. The results show excellent agreement with previous theoretical work.

Polarized and unpolarized nucleon structure functions from lattice QCD

International Nuclear Information System (INIS)

Goeckeler, M.; Technische Hochschule Aachen; Horsley, R.; Humboldt-Universitaet, Berlin; Ilgenfritz, E.M.; Perlt, H.; Rakow, P.; Schierholz, G.; Forschungszentrum Juelich GmbH; Schiller, A.

1995-06-01

We report on a high statistics quenched lattice QCD calculation of the deep-inelastic structure functions F 1 , F 2 , g 1 and g 2 of the proton and neutron. The theoretical basis for the calculation is the operator product expansion. We consider the moments of the leading twist operators up to spin four. Using Wilson fermions the calculation is done for three values of K, and we perform the extrapolation to the chiral limit. The renormalization constants, which lead us from lattice to continuum operators, are calculated in perturbation theory to one loop order. (orig.)

Nonlinear nano-scale localized breather modes in a discrete weak ferromagnetic spin lattice

International Nuclear Information System (INIS)

Kavitha, L.; Parasuraman, E.; Gopi, D.; Prabhu, A.; Vicencio, Rodrigo A.

2016-01-01

We investigate the propagation dynamics of highly localized discrete breather modes in a weak ferromagnetic spin lattice with on-site easy axis anisotropy due to crystal field effect. We derive the discrete nonlinear equation of motion by employing boson mappings and p-representation. We explore the onset of modulational instability both analytically in the framework of linear stability analysis and numerically by means of molecular dynamics (MD) simulations, and a perfect agreement was demonstrated. It is also explored that how the antisymmetric nature of the canted ferromagnetic lattice supports highly localized discrete breather (DBs) modes as shown in the stability/instability windows. The energy exchange between low amplitude discrete breathers favours the growth of higher amplitude DBs, resulting eventually in the formation of few long-lived high amplitude DBs. - Highlights: • The effects of DM and anisotropy interaction on the DB modes are studied. • The antisymmetric nature of the canted ferromagnetic medium supports the DB modes. • Dynamics of ferromagnetic chain is governed by boson mappings and p-representation.

Status and prospects for the calculation of hadron structure from lattice QCD

International Nuclear Information System (INIS)

Renner, Dru B.

2010-02-01

Lattice QCD calculations of hadron structure are a valuable complement to many experimental programs as well as an indispensable tool to understand the dynamics of QCD. I present a focused review of a few representative topics chosen to illustrate both the challenges and advances of our community: the momentum fraction, axial charge and charge radius of the nucleon. I will discuss the current status of these calculations and speculate on the prospects for accurate calculations of hadron structure from lattice QCD. (orig.)

A Discrete Spectral Problem and Related Hierarchy of Discrete Hamiltonian Lattice Equations

International Nuclear Information System (INIS)

Xu Xixiang; Cao Weili

2007-01-01

Staring from a discrete matrix spectral problem, a hierarchy of lattice soliton equations is presented though discrete zero curvature representation. The resulting lattice soliton equations possess non-local Lax pairs. The Hamiltonian structures are established for the resulting hierarchy by the discrete trace identity. Liouville integrability of resulting hierarchy is demonstrated.

Analysis of the local structure of AlN:Mn using X-ray absorption fine structure measurements

Energy Technology Data Exchange (ETDEWEB)

Miyajima, Takao [Materials Laboratories, Sony Corporation, 4-14-1 Asahi-cho, Atsugi-shi, Kanagawa 243-0014 (Japan); Kudo, Yoshihiro [Materials Analysis Lab., Sony Corporation, 4-18-1 Okada, Atsugi-shi, Kanagawa 243-0021 (Japan); Uruga, Tomoya [Japan Synchrotron Radiation Institute, 1-1-1 Kouto, Mikazuki-cho, Sayo-gun, Hyogo 679-5198 (Japan); Hara, Kazuhiko [Research Inst. of Electronics, Shizuoka Univ., 3-5-1 Johoku, Hamamatsu, Shizuoka 432-8011 (Japan)

2006-06-15

The local structure around the Mn atoms in MOCVD-grown AlN:Mn films which show Mn-related red-orange photoluminescence with a 600nm-peak at room temperature was investigated using the X-ray absorption fine structure (XAFS) measurements. We found that Mn atoms occupy Al lattice sites in the AlN film and that the Mn ions have a charge between +2 and +3. From these results, we think that the red-orange luminescence is caused by the transition of d-electrons in the Mn ions. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Strength analysis and modeling of cellular lattice structures manufactured using selective laser melting for tooling applications

DEFF Research Database (Denmark)

Mahshid, Rasoul; Hansen, Hans Nørgaard; Loft Højbjerre, Klaus

2016-01-01

in injection molding tools and lattice structures. This research examines the effect of cellular lattice structures on the strength of workpieces additively manufactured from ultra high-strength steel powder. Two commercial SLM machines are used to fabricate cellular samples based on four architectures— solid...... with experimental data and it is shown that they agree well. The results from this research show that using lattice structures significantly reduces the strength of material with respect to solid samples while indicating no serious increase of strength compared to hollow structures. In combination with an analysis...

Nucleon Structure and Hyperon Form Factors from Lattice QCD.

Energy Technology Data Exchange (ETDEWEB)

Lin,H.W.

2007-06-11

In this work, I report the latest lattice QCD calculations of nucleon and hyperon structure from chiral fermions in 2+1-flavor dynamical simulations. All calculations are done with a chirally symmetric fermion action, domain-wall fermions, for valence quarks. I begin with the latest lattice results on the nucleon structure, focusing on results from RBC/UKQCD using 2+1-flavor chiral fermion actions. We find the chiral-extrapolated axial coupling constant at physical pion mass point. to be 1.23(5), consistent with experimental value. The renormalization constants for the structure functions are obtained from RI/MOM-scheme non-perturbative renormalization. We find first moments of the polarized and unpolarized nucleon structure functions at zero transfer momentum to be 0.133(13) and 0.203(23) respectively, using continuum chiral extrapolation. These are consistent with the experimental values, unlike previous calculations which have been 50% larger. We also have a prediction for the transversity, which we find to be 0.56(4). The twist-3 matrix element is consistent with zero which agrees with the prediction of the Wandzura-Wilczek relation. In the second half of this work, I report an indirect dynamical estimation of the strangeness proton magnetic moments using mixed actions. With the analysis of hyperon form factors and using charge symmetry, the strangeness of proton is found to be -0.066(2G), consistent with the Adelaide-JLab Collaboration's result. The hyperon {Sigma} and {Xi} axial coupling constants are also performed for the first time in a lattice calculation, g{sub {Sigma}{Sigma}} = 0.441(14) and g{sub {Xi}{Xi}} = -0.277(11).

Nucleon Structure and hyperon form factors from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Lin, Huey-Wen

2007-06-11

In this work, I report the latest lattice QCD calculations of nucleon and hyperon structure from chiral fermions in 2+1-flavor dynamical simulations. All calculations are done with a chirally symmetric fermion action, domain-wall fermions, for valence quarks. I begin with the latest lattice results on the nucleon structure, focusing on results from RBC/UKQCD using 2+1-flavor chiral fermion actions. We find the chiral-extrapolated axial coupling constant at physical pion mass point to be 1.23(5), consistant with experimental value. The renormalization constants for the structure functions are obtained from RI/MOM-scheme non-perturbative renormalization. We find first moments of the polarized and unpolarized nucleon structure functions at zero transfer momentum to be 0.133(13) and 0.203(23) respectively, using continuum chiral extrapolation. These are consistent with the experimental values, unlike previous calculations which have been 50% larger. We also have a prediction for the transversity, which we find to be 0.56(4). The twist-3 matrix element is consistent with zero which agrees with the prediction of the Wandzura-Wilczek relation. In the second half of this work, I report an indirect dynamical estimation of the strangeness proton magnetic moments using mixed actions. With the analysis of hyperon form factors and using charge symmetry, the strangeness of proton is found to be -0.066(26), consistent with the Adelaide-JLab Collaboration's result. The hyperon Sigma and Xi axial coupling constants are also performed for the first time in a lattice calculation, g_SigmaSigma = 0.441(14) and g_XiXi = -0.277(11).

Investigation on Mechanical Properties’ Anisotropy of Rod Units in Lattice Structures Fabricated by Selective Laser Melting

Directory of Open Access Journals (Sweden)

Jing Chenchen

2017-01-01

Full Text Available Lattice structure with high strength and low mass using selective laser melting (SLM has been a hot topic. However, there are some problems in the fabrication of lattice structure by SLM. Rod unit is the basic component of lattice structure and its performance affects the whole structure. It is necessary to investigate the influence of selective laser melting on rod unit’s mechanical properties. A series of rod units with different inclination angle and diameter were fabricated by SLM in this research. And the mechanical properties of these units were measured by tensile test. The results show that the rod units with different diameters and inclination angles have good mechanical properties and show no difference. It is a good news for lattice structure designing for there is no necessary to consider the mechanical properties’ anisotropy of rod units.

Numerical evidence for two types of localized states in a two-dimensional disordered lattice

International Nuclear Information System (INIS)

Tit, N.; Kumar, N.

1992-06-01

We report results of our numerical calculations, based on the equation of motion method, of dc-electrical conductivity and of density of states up to 40x40 two-dimensional square lattices modelling a right-binding Hamiltonian for a binary (AB) compound, disordered by randomly distributed B vacancies up to 10%. Our results indicate strongly localized states away from band centers separated from the relatively weakly localized states toward midband. This is in qualitative agreement with the idea of a ''mobility edge'' separating exponentially localized states from the power-law localized states as suggested by the two-parameter scaling theory of Kaevh in two dimensions. (author). 7 refs, 4 figs

Obtaining local reciprocal lattice vectors from finite-element analysis.

Science.gov (United States)

Sutter, John P; Connolley, Thomas; Hill, Tim P; Huang, Houcheng; Sharp, Doug W; Drakopoulos, Michael

2008-11-01

Finite-element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS Workbench software is widely used for such simulations. However, although ANSYS Workbench software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X-ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double-crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.

Light-induced lattice expansion leads to high-efficiency perovskite solar cells

Energy Technology Data Exchange (ETDEWEB)

Tsai, Hsinhan; Asadpour, Reza; Blancon, Jean-Christophe; Stoumpos, Constantinos C.; Durand, Olivier; Strzalka, Joseph W.; Chen, Bo; Verduzco, Rafael; Ajayan, Pulickel M.; Tretiak, Sergei; Even, Jacky; Alam, Muhammad Ashraf; Kanatzidis, Mercouri G.; Nie, Wanyi; Mohite, Aditya D.

2018-04-05

Hybrid-perovskite based high-performance optoelectronic devices and clues from their operation has led to the realization that light-induced structural dynamics play a vital role on their physical properties, device performance and stability. Here, we report that continuous light illumination leads to a uniform lattice expansion in hybrid perovskite thin-films, which is critical for obtaining high-efficiency photovoltaic devices. Correlated, in-situ structural and device characterizations reveal that light-induced lattice expansion significantly benefits the performances of a mixed-cation pure-halide planar device, boosting the power conversion efficiency from 18.5% to 20.5%. This is a direct consequence of the relaxation of local lattice strains during lattice expansion, which results in the reduction of the energetic barriers at the perovskite/contact interfaces in devices, thus improving the open circuit voltage and fill factor. The light-induced lattice expansion stabilizes these high-efficiency photovoltaic devices under continuous operation of full-spectrum 1-Sun illumination for over 1500 hours. One Sentence Summary: Light-induced lattice expansion improves crystallinity, relaxes lattice strain, which enhances photovoltaic performance in hybrid perovskite device.

Light-induced lattice expansion leads to high-efficiency perovskite solar cells

Science.gov (United States)

Tsai, Hsinhan; Asadpour, Reza; Blancon, Jean-Christophe; Stoumpos, Constantinos C.; Durand, Olivier; Strzalka, Joseph W.; Chen, Bo; Verduzco, Rafael; Ajayan, Pulickel M.; Tretiak, Sergei; Even, Jacky; Alam, Muhammad Ashraf; Kanatzidis, Mercouri G.; Nie, Wanyi; Mohite, Aditya D.

2018-04-01

Light-induced structural dynamics plays a vital role in the physical properties, device performance, and stability of hybrid perovskite–based optoelectronic devices. We report that continuous light illumination leads to a uniform lattice expansion in hybrid perovskite thin films, which is critical for obtaining high-efficiency photovoltaic devices. Correlated, in situ structural and device characterizations reveal that light-induced lattice expansion benefits the performances of a mixed-cation pure-halide planar device, boosting the power conversion efficiency from 18.5 to 20.5%. The lattice expansion leads to the relaxation of local lattice strain, which lowers the energetic barriers at the perovskite-contact interfaces, thus improving the open circuit voltage and fill factor. The light-induced lattice expansion did not compromise the stability of these high-efficiency photovoltaic devices under continuous operation at full-spectrum 1-sun (100 milliwatts per square centimeter) illumination for more than 1500 hours.

Toward lattice fractional vector calculus

International Nuclear Information System (INIS)

Tarasov, Vasily E

2014-01-01

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. (papers)

Toward lattice fractional vector calculus

Science.gov (United States)

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.

Anderson localization in one-dimensional quasiperiodic lattice models with nearest- and next-nearest-neighbor hopping

International Nuclear Information System (INIS)

Gong, Longyan; Feng, Yan; Ding, Yougen

2017-01-01

Highlights: • Quasiperiodic lattice models with next-nearest-neighbor hopping are studied. • Shannon information entropies are used to reflect state localization properties. • Phase diagrams are obtained for the inverse bronze and golden means, respectively. • Our studies present a more complete picture than existing works. - Abstract: We explore the reduced relative Shannon information entropies SR for a quasiperiodic lattice model with nearest- and next-nearest-neighbor hopping, where an irrational number is in the mathematical expression of incommensurate on-site potentials. Based on SR, we respectively unveil the phase diagrams for two irrationalities, i.e., the inverse bronze mean and the inverse golden mean. The corresponding phase diagrams include regions of purely localized phase, purely delocalized phase, pure critical phase, and regions with mobility edges. The boundaries of different regions depend on the values of irrational number. These studies present a more complete picture than existing works.

Anderson localization in one-dimensional quasiperiodic lattice models with nearest- and next-nearest-neighbor hopping

Energy Technology Data Exchange (ETDEWEB)

Gong, Longyan, E-mail: lygong@njupt.edu.cn [Information Physics Research Center and Department of Applied Physics, Nanjing University of Posts and Telecommunications, Nanjing, 210003 (China); Institute of Signal Processing and Transmission, Nanjing University of Posts and Telecommunications, Nanjing, 210003 (China); National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Feng, Yan; Ding, Yougen [Information Physics Research Center and Department of Applied Physics, Nanjing University of Posts and Telecommunications, Nanjing, 210003 (China); Institute of Signal Processing and Transmission, Nanjing University of Posts and Telecommunications, Nanjing, 210003 (China)

2017-02-12

Highlights: • Quasiperiodic lattice models with next-nearest-neighbor hopping are studied. • Shannon information entropies are used to reflect state localization properties. • Phase diagrams are obtained for the inverse bronze and golden means, respectively. • Our studies present a more complete picture than existing works. - Abstract: We explore the reduced relative Shannon information entropies SR for a quasiperiodic lattice model with nearest- and next-nearest-neighbor hopping, where an irrational number is in the mathematical expression of incommensurate on-site potentials. Based on SR, we respectively unveil the phase diagrams for two irrationalities, i.e., the inverse bronze mean and the inverse golden mean. The corresponding phase diagrams include regions of purely localized phase, purely delocalized phase, pure critical phase, and regions with mobility edges. The boundaries of different regions depend on the values of irrational number. These studies present a more complete picture than existing works.

Quark structure from the lattice operator product expansion

International Nuclear Information System (INIS)

Bietenholz, W.; Cundy, N.; Goeckeler, M.

2009-11-01

We have reported elsewhere in this conference on our continuing project to determine nonperturbative Wilson coefficients on the lattice, as a step towards a completely non-perturbative determination of the nucleon structure. In this talk we discuss how these Wilson coefficients can be used to extract Nachtmann moments of structure functions, using the case of off-shell Landau-gauge quarks as a first simple example. This work is done using overlap fermions, because their improved chiral properties reduce the difficulties due to operator mixing. (orig.)

Nucleon structure in lattice QCD with dynamical domain-wall fermions quarks

International Nuclear Information System (INIS)

Huey-Wen Lin; Shigemi Ohta

2006-01-01

We report RBC and RBC/UKQCD lattice QCD numerical calculations of nucleon electroweak matrix elements with dynamical domain-wall fermions (DWF) quarks. The first, RBC, set of dynamical DWF ensembles employs two degenerate flavors of DWF quarks and the DBW2 gauge action. Three sea quark mass values of 0.04, 0.03 and 0.02 in lattice units are used with about 200 gauge configurations each. The lattice cutoff is about 1.7 GeV and the spatial volume is about (1.9 fm) 3 . Despite the small volume, the ratio of the isovector vector and axial charges g A /g V and that of structure function moments u-d / Δ u-Δ d are in agreement with experiment, and show only very mild quark mass dependence. The second, RBC/UK, set of ensembles employs one strange and two degenerate (up and down) dynamical DWF quarks and Iwasaki gauge action. The strange quark mass is set at 0.04, and three up/down mass values of 0.03, 0.02 and 0.01 in lattice units are used. The lattice cutoff is about 1.6 GeV and the spatial volume is about (3.0 fm) 3 . Even with preliminary statistics of 25-30 gauge configurations, the ratios g A /g V and u-d / Δu - Δd are consistent with experiment and show only very mild quark mass dependence. Another structure function moment, d 1 , though yet to be renormalized, appears small in both sets

NUCLEON STRUCTURE IN LATTICE QCD WITH DYNAMICAL DOMAIN--WALL FERMIONS QUARKS

International Nuclear Information System (INIS)

LIN, H.W.; OHTA, S.

2006-01-01

We report RBC and RBC/UKQCD lattice QCD numerical calculations of nucleon electroweak matrix elements with dynamical domain-wall fermions (DWF) quarks. The first, RBC, set of dynamical DWF ensembles employs two degenerate flavors of DWF quarks and the DBW2 gauge action. Three sea quark mass values of 0.04, 0.03 and 0.02 in lattice units are used with 220 gauge configurations each. The lattice cutoff is a -1 ∼ 1.7GeV and the spatial volume is about (1.9fm) 3 . Despite the small volume, the ratio of the isovector vector and axial charges g A /g V and that of structure function moments u-d / Δu-Δd are in agreement with experiment, and show only very mild quark mass dependence. The second, RBC/UK, set of ensembles employs one strange and two degenerate (up and down) dynamical DWF quarks and Iwasaki gauge action. The strange quark mass is set at 0.04, and three up/down mass values of 0.03, 0.02 and 0.01 in lattice units are used. The lattice cutoff is a -1 ∼ 1.6GeV and the spatial volume is about (3.0fm) 3 . Even with preliminary statistics of 25-30 gauge configurations, the ratios g A /g V and u-d / Δu-Δd are consistent with experiment and show only very mild quark mass dependence. Another structure function moment, d 1 , though yet to be renormalized, appears small in both sets

Problems on one-dimensionally disordered lattices, and reliability of structural analysis of liquids and amorphous solids

International Nuclear Information System (INIS)

Kakinoki, J.

1974-01-01

Methods for obtaining the intensity of X-ray diffraction by one-dimensional by disordered lattices have been studied, and matrix method was developed. The method has been applied for structural analysis. Several problems concerning neutron diffraction were shown in the course of analysis. Large single crystals should be used for measurement. It is hard to grasp the local variation of structure. The technique of topography is still in development. Measurement of weak intensity diffraction is not sufficient. Technique of photography to observe overall feature is not good. General remarks concerning the one-dimensionally disordered lattices are as follows. A large number of parameters for analysis are not practical, and the disorder parameters are preferably two. In case of the disorder between two kinds of layers having same frequency and different structure, peak shift is not caused, and Laue term remains at the position. Reliability of the structural analysis of liquid and amorphous solid is discussed. The analysis is basically the analysis two atom molecule of same kind of atoms. The intensity of diffraction can be obtained from radial distribution function (RDF). Since practical observation is limited to a finite region, termination effect should be taken into consideration. Accuracy of analysis is not good in case of X-ray diffraction. The analysis by neutron diffraction is preferable. (Kato, T.)

Thresholds of surface codes on the general lattice structures suffering biased error and loss

International Nuclear Information System (INIS)

Tokunaga, Yuuki; Fujii, Keisuke

2014-01-01

A family of surface codes with general lattice structures is proposed. We can control the error tolerances against bit and phase errors asymmetrically by changing the underlying lattice geometries. The surface codes on various lattices are found to be efficient in the sense that their threshold values universally approach the quantum Gilbert-Varshamov bound. We find that the error tolerance of the surface codes depends on the connectivity of the underlying lattices; the error chains on a lattice of lower connectivity are easier to correct. On the other hand, the loss tolerance of the surface codes exhibits an opposite behavior; the logical information on a lattice of higher connectivity has more robustness against qubit loss. As a result, we come upon a fundamental trade-off between error and loss tolerances in the family of surface codes with different lattice geometries

Thresholds of surface codes on the general lattice structures suffering biased error and loss

Energy Technology Data Exchange (ETDEWEB)

Tokunaga, Yuuki [NTT Secure Platform Laboratories, NTT Corporation, 3-9-11 Midori-cho, Musashino, Tokyo 180-8585, Japan and Japan Science and Technology Agency, CREST, 5 Sanban-cho, Chiyoda-ku, Tokyo 102-0075 (Japan); Fujii, Keisuke [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan)

2014-12-04

A family of surface codes with general lattice structures is proposed. We can control the error tolerances against bit and phase errors asymmetrically by changing the underlying lattice geometries. The surface codes on various lattices are found to be efficient in the sense that their threshold values universally approach the quantum Gilbert-Varshamov bound. We find that the error tolerance of the surface codes depends on the connectivity of the underlying lattices; the error chains on a lattice of lower connectivity are easier to correct. On the other hand, the loss tolerance of the surface codes exhibits an opposite behavior; the logical information on a lattice of higher connectivity has more robustness against qubit loss. As a result, we come upon a fundamental trade-off between error and loss tolerances in the family of surface codes with different lattice geometries.

Band structure engineering for ultracold quantum gases in optical lattices

International Nuclear Information System (INIS)

Weinberg, Malte

2014-01-01

The energy band structure fundamentally influences the physical properties of a periodic system. It may give rise to highly exotic phenomena in yet uncharted physical regimes. Ultracold quantum gases in optical lattices provide an ideal playground for the investigation of a large variety of such intriguing effects. Experiments presented here address several issues that require the systematic manipulation of energy band structures in optical lattices with diverse geometries. These artificial crystals of light, generated by interfering laser beams, allow for an unprecedented degree of control over a wide range of parameters. A major part of this thesis employs time-periodic driving to engineer tunneling matrix elements and, thus, the dispersion relation for bosonic quantum gases in optical lattices. Resonances emerging in the excitation spectrum due to the particularly strong forcing can be attributed to multi-photon transitions that are investigated systematically. By changing the sign of the tunneling, antiferromagnetic spin-spin interactions can be emulated. In a triangular lattice this leads to geometrical frustration with a doubly degenerate ground state as the simultaneous minimization of competing interactions is inhibited. Moreover, complex-valued tunneling matrix elements can be generated with a suitable breaking of time-reversal symmetry in the driving scheme. The associated Peierls phases mimic the presence of an electromagnetic vector gauge potential acting on charged particles. First proof-of-principle experiments reveal an excellent agreement with theoretical calculations. In the weakly interacting superfluid regime, these artificial gauge fields give rise to an Ising-XY model with tunable staggered magnetic fluxes and a complex interplay between discrete and continuous symmetries. A thermal phase transition from an ordered ferromagnetic- to an unordered paramagnetic state could be observed. In the opposite hard-core boson limit of strong interactions

Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

Energy Technology Data Exchange (ETDEWEB)

Ponnusamy, Rajesh [Universidade Nova de Lisboa, Avenida da República, EAN, 2781-901 Oeiras (Portugal); Lebedev, Andrey A. [Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Didcot OX11 0FA (United Kingdom); Pahlow, Steffen [University of Hamburg, Ohnhorststrasse 18, 22609 Hamburg (Germany); Lohkamp, Bernhard, E-mail: bernhard.lohkamp@ki.se [Karolinska Institutet, Tomtebodavägen 6, 4tr, 17177 Stockholm (Sweden); Universidade Nova de Lisboa, Avenida da República, EAN, 2781-901 Oeiras (Portugal)

2014-06-01

Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs.

Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

International Nuclear Information System (INIS)

Ponnusamy, Rajesh; Lebedev, Andrey A.; Pahlow, Steffen; Lohkamp, Bernhard

2014-01-01

Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs

Basic research on lattice structures focused on the reliance of the cross sectional area and additional coatings

Directory of Open Access Journals (Sweden)

Kessler Julia

2017-01-01

Full Text Available This scientific survey is about periodic lattice structures which are made by Selective Laser Melting (SLM. Selective laser melting is based on Additive Manufacturing. The increased use and increasing demand of lattice structures in different fields of applications forms the necessity of a closer look on complex structures. Lattice structures can be found in different fields of applications for example in lightweight applications, filters and heat exchangers. Because of the expanding of application areas and thus arising requirements, the quality improvement is indispensable. Additive manufacturing and especially the SLM process enable the manufacturing of highly complex shapes and structures. Further it allows the integration of lightweight structures within to be manufactured applications. These high performance structures and applications need specific boundary and process conditions [1-3]. The main aim of this survey is an extraction of important parameters concerning the shape of lattices. A first focus will be on mechanical properties and the therefore necessary tensile tests.

Comparative Study on Cushion Performance Between 3D Printed Kelvin Structure and 3D Printed Lattice Structure

Science.gov (United States)

Priyadarshini, Lakshmi

Frequently transported packaging goods are more prone to damage due to impact, jolting or vibration in transit. Fragile goods, for example, glass, ceramics, porcelain are susceptible to mechanical stresses. Hence ancillary materials like cushions play an important role when utilized within package. In this work, an analytical model of a 3D cellular structure is established based on Kelvin model and lattice structure. The research will provide a comparative study between the 3D printed Kelvin unit structure and 3D printed lattice structure. The comparative investigation is based on parameters defining cushion performance such as cushion creep, indentation, and cushion curve analysis. The applications of 3D printing is in rapid prototyping where the study will provide information of which model delivers better form of energy absorption. 3D printed foam will be shown as a cost-effective approach as prototype. The research also investigates about the selection of material for 3D printing process. As cushion development demands flexible material, three-dimensional printing with material having elastomeric properties is required. Further, the concept of cushion design is based on Kelvin model structure and lattice structure. The analytical solution provides the cushion curve analysis with respect to the results observed when load is applied over the cushion. The results are reported on basis of attenuation and amplification curves.

Low-Velocity Impact Behavior of Sandwich Structures with Additively Manufactured Polymer Lattice Cores

Science.gov (United States)

Turner, Andrew J.; Al Rifaie, Mohammed; Mian, Ahsan; Srinivasan, Raghavan

2018-05-01

Sandwich panel structures are widely used in aerospace, marine, and automotive applications because of their high flexural stiffness, strength-to-weight ratio, good vibration damping, and low through-thickness thermal conductivity. These structures consist of solid face sheets and low-density cellular core structures, which are traditionally based upon honeycomb folded-sheet topologies. The recent advances in additive manufacturing (AM) or 3D printing process allow lattice core configurations to be designed with improved mechanical properties. In this work, the sandwich core is comprised of lattice truss structures (LTS). Two different LTS designs are 3D-printed using acrylonitrile butadiene styrene (ABS) and are tested under low-velocity impact loads. The absorption energy and the failure mechanisms of lattice cells under such loads are investigated. The differences in energy-absorption capabilities are captured by integrating the load-displacement curve found from the impact response. It is observed that selective placement of vertical support struts in the unit-cell results in an increase in the absorption energy of the sandwich panels.

Low-Velocity Impact Behavior of Sandwich Structures with Additively Manufactured Polymer Lattice Cores

Science.gov (United States)

Turner, Andrew J.; Al Rifaie, Mohammed; Mian, Ahsan; Srinivasan, Raghavan

2018-04-01

Sandwich panel structures are widely used in aerospace, marine, and automotive applications because of their high flexural stiffness, strength-to-weight ratio, good vibration damping, and low through-thickness thermal conductivity. These structures consist of solid face sheets and low-density cellular core structures, which are traditionally based upon honeycomb folded-sheet topologies. The recent advances in additive manufacturing (AM) or 3D printing process allow lattice core configurations to be designed with improved mechanical properties. In this work, the sandwich core is comprised of lattice truss structures (LTS). Two different LTS designs are 3D-printed using acrylonitrile butadiene styrene (ABS) and are tested under low-velocity impact loads. The absorption energy and the failure mechanisms of lattice cells under such loads are investigated. The differences in energy-absorption capabilities are captured by integrating the load-displacement curve found from the impact response. It is observed that selective placement of vertical support struts in the unit-cell results in an increase in the absorption energy of the sandwich panels.

Three-dimensional artificial spin ice in nanostructured Co on an inverse opal-like lattice

Science.gov (United States)

Mistonov, A. A.; Grigoryeva, N. A.; Chumakova, A. V.; Eckerlebe, H.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Menzel, D.; Grigoriev, S. V.

2013-06-01

The evolution of the magnetic structure for an inverse opal-like structure under an applied magnetic field is studied by small-angle neutron scattering. The samples were produced by filling the voids of an artificial opal film with Co. It is shown that the local configuration of magnetization is inhomogeneous over the basic element of the inverse opal-like lattice structure (IOLS) but follows its periodicity. Applying the “ice-rule” concept to the structure, we describe the local magnetization of this ferromagnetic three-dimensional lattice. We have developed a model of the remagnetization process predicting the occurrence of an unusual perpendicular component of the magnetization in the IOLS which is defined only by the direction and strength of the applied magnetic field.

The gluon structure of hadrons and nuclei from lattice QCD

Science.gov (United States)

Shanahan, Phiala

2018-03-01

I discuss recent lattice QCD studies of the gluon structure of hadrons and light nuclei. After very briefly highlighting new determinations of the gluon contributions to the nucleon's momentum and spin, presented by several collaborations over the last year, I describe first calculations of gluon generalised form factors. The generalised transversity gluon distributions are of particular interest since they are purely gluonic; they do not mix with quark distributions at leading twist. In light nuclei they moreover provide a clean signature of non-nucleonic gluon degrees of freedom, and I present the first evidence for such effects, based on lattice QCD calculations. The planned Electron-Ion Collider, designed to access gluon structure quantities, will have the capability to test this prediction, and measure a range of gluon observables including generalised gluon distributions and transverse momentum dependent gluon distributions, within the next decade.

Spin and lattice structures of single-crystalline SrFe2As2

Science.gov (United States)

Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

2008-10-01

We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

Moments of unpolarized nucleon structure functions in chirally improved lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Goeckeler, Meinulf; Maurer, Thilo; Schaefer, Andreas [University of Regensburg (Germany); Lang, Christian B.; Limmer, Markus [University of Graz (Austria)

2008-07-01

We present our results for the lowest moments of unpolarized nucleon structure functions at leading twist. We employ lattice quantum chromodynamics using chirally improved fermions in quenched as well as dynamical simulations.

The gluon structure of hadrons and nuclei from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Shanahan, Phiala A. [College of William and Mary, Williamsburg, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

2018-04-01

I discuss recent lattice QCD studies of the gluon structure of hadrons and light nuclei. After very briefly highlighting new determinations of the gluon contributions to the nucleon's momentum and spin, presented by several collaborations over the last year, I describe first calculations of gluon generalised form factors. The generalised transversity gluon distributions are of particular interest since they are purely gluonic; they do not mix with quark distributions at leading twist. In light nuclei they moreover provide a clean signature of non-nucleonic gluon degrees of freedom, and I present the first evidence for such effects, based on lattice QCD calculations. The planned Electron-Ion Collider, designed to access gluon structure quantities, will have the capability to test this prediction, and measure a range of gluon observables including generalised gluon distributions and transverse momentum dependent gluon distributions, within the next decade.

Rapid characterization of a nanomaterial structure using X-ray reciprocal-lattice-space imaging

International Nuclear Information System (INIS)

Sakata, Osami; Yoshimoto, Mamoru; Miki, Kazushi

2006-01-01

The X-ray reciprocal-lattice-space imaging method is able to record the reciprocal-lattice-space of nanostructure by sample-and-detector fixed geometry. This method was developed by the surface structure analysis beam line BL13XU of SPring-8. Outline of the X-ray diffraction method and basic principles of the X-ray reciprocal-lattice-space imaging method, and application examples are stated. The method is able to find out the Bragg conditions of nanostructure of surface in the atmosphere. The reciprocal-lattice of the embedded trace atomic wires was observed. The trace atoms of Bi atomic wires embedded in silicone showed the diffraction signal and image by a short exposure time. This method is useful at rapid non-destructive measurement of nanostructure. (S.Y.)

Atomic quantum simulation of the lattice gauge-Higgs model: Higgs couplings and emergence of exact local gauge symmetry.

Science.gov (United States)

Kasamatsu, Kenichi; Ichinose, Ikuo; Matsui, Tetsuo

2013-09-13

Recently, the possibility of quantum simulation of dynamical gauge fields was pointed out by using a system of cold atoms trapped on each link in an optical lattice. However, to implement exact local gauge invariance, fine-tuning the interaction parameters among atoms is necessary. In the present Letter, we study the effect of violation of the U(1) local gauge invariance by relaxing the fine-tuning of the parameters and showing that a wide variety of cold atoms is still a faithful quantum simulator for a U(1) gauge-Higgs model containing a Higgs field sitting on sites. The clarification of the dynamics of this gauge-Higgs model sheds some light upon various unsolved problems, including the inflation process of the early Universe. We study the phase structure of this model by Monte Carlo simulation and also discuss the atomic characteristics of the Higgs phase in each simulator.

Some recent work on lattice structures for digital signal processing

Indian Academy of Sciences (India)

Digital signal processing (DSP); lattice structures; finite impulse ... fascinated this author for a long time, and for the known non-canonical ...... where M

Machine-learning approach for local classification of crystalline structures in multiphase systems

Science.gov (United States)

Dietz, C.; Kretz, T.; Thoma, M. H.

2017-07-01

Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions. This leads to insights into highly disturbed crystalline structures.

Properties of Ti-6Al-4V non-stochastic lattice structures fabricated via electron beam melting

International Nuclear Information System (INIS)

Cansizoglu, O.; Harrysson, O.; Cormier, D.; West, H.; Mahale, T.

2008-01-01

This paper addresses foams which are known as non-stochastic foams, lattice structures, or repeating open cell structure foams. The paper reports on preliminary research involving the design and fabrication of non-stochastic Ti-6Al-4V alloy structures using the electron beam melting (EBM) process. Non-stochastic structures of different cell sizes and densities were investigated. The structures were tested in compression and bending, and the results were compared to results from finite element analysis simulations. It was shown that the build angle and the build orientation affect the properties of the lattice structures. The average compressive strength of the lattice structures with a 10% relative density was 10 MPa, the flexural modulus was 200 MPa and the strength to density ration was 17. All the specimens were fabricated on the EBM A2 machine using a melt speed of 180 mm/s and a beam current of 2 mA. Future applications and FEA modeling were discussed in the paper

Detailed design of a lattice composite fuselage structure by a mixed optimization method

Science.gov (United States)

Liu, D.; Lohse-Busch, H.; Toropov, V.; Hühne, C.; Armani, U.

2016-10-01

In this article, a procedure for designing a lattice fuselage barrel is developed. It comprises three stages: first, topology optimization of an aircraft fuselage barrel is performed with respect to weight and structural performance to obtain the conceptual design. The interpretation of the optimal result is given to demonstrate the development of this new lattice airframe concept for the fuselage barrel. Subsequently, parametric optimization of the lattice aircraft fuselage barrel is carried out using genetic algorithms on metamodels generated with genetic programming from a 101-point optimal Latin hypercube design of experiments. The optimal design is achieved in terms of weight savings subject to stability, global stiffness and strain requirements, and then verified by the fine mesh finite element simulation of the lattice fuselage barrel. Finally, a practical design of the composite skin complying with the aircraft industry lay-up rules is presented. It is concluded that the mixed optimization method, combining topology optimization with the global metamodel-based approach, allows the problem to be solved with sufficient accuracy and provides the designers with a wealth of information on the structural behaviour of the novel anisogrid composite fuselage design.

Hyper-lattice algebraic model for data warehousing

CERN Document Server

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.

The ambivalent effect of lattice structure on a spatial game

Science.gov (United States)

Zhang, Hui; Gao, Meng; Li, Zizhen; Maa, Zhihui; Wang, Hailong

2011-06-01

The evolution of cooperation is studied in lattice-structured populations, in which each individual who adopts one of the following strategies ‘always defect' (ALLD), ‘tit-for-tat' (TFT), and ‘always cooperate' (ALLC) plays the repeated Prisoner's Dilemma game with its neighbors according to an asynchronous update rule. Computer simulations are applied to analyse the dynamics depending on major parameters. Mathematical analyses based on invasion probability analysis, mean-field approximation, as well as pair approximation are also used. We find that the lattice structure promotes the evolution of cooperation compared with a non-spatial population, this is also confirmed by invasion probability analysis in one dimension. Meanwhile, it also inhibits the evolution of cooperation due to the advantage of being spiteful, which indicates the key role of specific life-history assumptions. Mean-field approximation fails to predict the outcome of computer simulations. Pair approximation is accurate in two dimensions but fails in one dimension.

Propositional systems in local field theories

International Nuclear Information System (INIS)

Banai, M.

1980-07-01

The authors investigate propositional systems for local field theories, which reflect intrinsically the uncertainties of measurements made on the physical system, and satisfy the isotony and local commutativity postulates of Haag and Kastler. The spacetime covariance can be implemented in natural way in these propositional systems. New techniques are introduced to obtain these propositional systems: the lattice-valued logics. The decomposition of the complete orthomodular lattice-valued logics shows that these logics are more general than the usual two-valued ones and that in these logics there is enough structure to characterize the classical and quantum, non relativistic and relativistic local field theories in a natural way. The Hilbert modules give the natural inner product ''spaces'' (modules) for the realization of the lattice-valued logics. (author)

Compressive behaviour of gyroid lattice structures for human cancellous bone implant applications

International Nuclear Information System (INIS)

Yánez, A.; Herrera, A.; Martel, O.; Monopoli, D.; Afonso, H.

2016-01-01

Electron beam melting (EBM) was used to fabricate porous titanium alloy structures. The elastic modulus of these porous structures was similar to the elastic modulus of the cancellous human bone. Two types of cellular lattice structures were manufactured and tested: gyroids and diamonds. The design of the gyroid structures was determined by the main angle of the struts with respect to the axial direction. Thus, structures with angles of between 19 and 68.5° were manufactured. The aim of the design was to reduce the amount of material needed to fabricate a structure with the desired angles to increase the range of stiffness of the scaffolds. Compression tests were conducted to obtain the elastic modulus and the strength. Both parameters increased as the angle decreased. Finally, the specific strength of the gyroid structures was compared with that of the diamond structures and other types of structures. It is shown that, for angles lower than 35°, the gyroid structures had a high strength to weight ratios. - Highlights: • Gyroid and diamond lattice structures were fabricated by electron beam melting. • Compression tests were conducted to obtain the elastic modulus and the strength. • Some gyroid structures show a higher specific strength than other types of structures.

Compressive behaviour of gyroid lattice structures for human cancellous bone implant applications

Energy Technology Data Exchange (ETDEWEB)

Yánez, A., E-mail: alejandro.yanez@ulpgc.es [Department of Mechanical Engineering, University of Las Palmas de Gran Canaria (Spain); Herrera, A. [Julius Wolff Institute, Berlin (Germany); Martel, O. [Department of Mechanical Engineering, University of Las Palmas de Gran Canaria (Spain); Monopoli, D.; Afonso, H. [Department of Mechanical Engineering, Instituto Tecnológico de Canarias (Spain)

2016-11-01

Electron beam melting (EBM) was used to fabricate porous titanium alloy structures. The elastic modulus of these porous structures was similar to the elastic modulus of the cancellous human bone. Two types of cellular lattice structures were manufactured and tested: gyroids and diamonds. The design of the gyroid structures was determined by the main angle of the struts with respect to the axial direction. Thus, structures with angles of between 19 and 68.5° were manufactured. The aim of the design was to reduce the amount of material needed to fabricate a structure with the desired angles to increase the range of stiffness of the scaffolds. Compression tests were conducted to obtain the elastic modulus and the strength. Both parameters increased as the angle decreased. Finally, the specific strength of the gyroid structures was compared with that of the diamond structures and other types of structures. It is shown that, for angles lower than 35°, the gyroid structures had a high strength to weight ratios. - Highlights: • Gyroid and diamond lattice structures were fabricated by electron beam melting. • Compression tests were conducted to obtain the elastic modulus and the strength. • Some gyroid structures show a higher specific strength than other types of structures.

Predicted Mobility Edges in One-Dimensional Incommensurate Optical Lattices: An Exactly Solvable Model of Anderson Localization

International Nuclear Information System (INIS)

Biddle, J.; Das Sarma, S.

2010-01-01

Localization properties of noninteracting quantum particles in one-dimensional incommensurate lattices are investigated with an exponential short-range hopping that is beyond the minimal nearest-neighbor tight-binding model. Energy dependent mobility edges are analytically predicted in this model and verified with numerical calculations. The results are then mapped to the continuum Schroedinger equation, and an approximate analytical expression for the localization phase diagram and the energy dependent mobility edges in the ground band is obtained.

Structure optimization by heuristic algorithm in a coarse-grained off-lattice model

International Nuclear Information System (INIS)

Jing-Fa, Liu

2009-01-01

A heuristic algorithm is presented for a three-dimensional off-lattice AB model consisting of hydrophobic (A) and hydrophilic (B) residues in Fibonacci sequences. By incorporating extra energy contributions into the original potential function, we convert the constrained optimization problem of AB model into an unconstrained optimization problem which can be solved by the gradient method. After the gradient minimization leads to the basins of the local energy minima, the heuristic off-trap strategy and subsequent neighborhood search mechanism are then proposed to get out of local minima and search for the lower-energy configurations. Furthermore, in order to improve the efficiency of the proposed algorithm, we apply the improved version called the new PERM with importance sampling (nPERMis) of the chain-growth algorithm, pruned-enriched-Rosenbluth method (PERM), to face-centered-cubic (FCC)-lattice to produce the initial configurations. The numerical results show that the proposed methods are very promising for finding the ground states of proteins. In several cases, we found the ground state energies are lower than the best values reported in the present literature

Understanding nucleon structure using lattice simulations. Recent progress on three different structural observables

International Nuclear Information System (INIS)

Schroers, W.

2007-01-01

This review focuses on the discussion of three key results of nucleon structure calculations on the lattice. These three results are the quark contribution to the nucleon spin, J q , the nucleon-Δ transition form factors, and the nucleon axial coupling, g A . The importance for phenomenology and experiment is discussed and the requirements for future simulations are pointed out. (orig.)

Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

International Nuclear Information System (INIS)

Muehlbauer, Sebastian C.

2009-01-01

In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of ∝ 10 4 . We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c 44 by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying crystal symmetry. The

Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

Energy Technology Data Exchange (ETDEWEB)

Muehlbauer, Sebastian C

2009-12-10

In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of {proportional_to} 10{sup 4}. We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c{sub 44} by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying

Representation theory of lattice current algebras

International Nuclear Information System (INIS)

Alekseev, A.Yu.; Eidgenoessische Technische Hochschule, Zurich; Faddeev, L.D.; Froehlich, L.D.; Schomerus, V.; Kyoto Univ.

1996-04-01

Lattice current algebras were introduced as a regularization of the left-and right moving degrees of freedom in the WZNW model. They provide examples of lattice theories with a local quantum symmetry U q (G). Their representation theory is studied in detail. In particular, we construct all irreducible representations along with a lattice analogue of the fusion product for representations of the lattice current algebra. It is shown that for an arbitrary number of lattice sites, the representation categories of the lattice current algebras agree with their continuum counterparts. (orig.)

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...

Lattices for laymen: a non-specialist's introduction to lattice gauge theory

International Nuclear Information System (INIS)

Callaway, D.J.E.

1985-01-01

The review on lattice gauge theory is based upon a series of lectures given to the Materials Science and Technology Division at Argonne National Laboratory. Firstly the structure of gauge theories in the continuum is discussed. Then the lattice formulation of these theories is presented, including quantum electrodynamics and non-abelian lattice gauge theories. (U.K.)

Two-dimensional Si nanosheets with local hexagonal structure on a MoS(2) surface.

Science.gov (United States)

Chiappe, Daniele; Scalise, Emilio; Cinquanta, Eugenio; Grazianetti, Carlo; van den Broek, Bas; Fanciulli, Marco; Houssa, Michel; Molle, Alessandro

2014-04-02

The structural and electronic properties of a Si nanosheet (NS) grown onto a MoS2 substrate by means of molecular beam epitaxy are assessed. Epitaxially grown Si is shown to adapt to the trigonal prismatic surface lattice of MoS2 by forming two-dimensional nanodomains. The Si layer structure is distinguished from the underlying MoS2 surface structure. The local electronic properties of the Si nanosheet are dictated by the atomistic arrangement of the layer and unlike the MoS2 hosting substrate they are qualified by a gap-less density of states. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Generalized isothermic lattices

International Nuclear Information System (INIS)

Doliwa, Adam

2007-01-01

We study multi-dimensional quadrilateral lattices satisfying simultaneously two integrable constraints: a quadratic constraint and the projective Moutard constraint. When the lattice is two dimensional and the quadric under consideration is the Moebius sphere one obtains, after the stereographic projection, the discrete isothermic surfaces defined by Bobenko and Pinkall by an algebraic constraint imposed on the (complex) cross-ratio of the circular lattice. We derive the analogous condition for our generalized isothermic lattices using Steiner's projective structure of conics, and we present basic geometric constructions which encode integrability of the lattice. In particular, we introduce the Darboux transformation of the generalized isothermic lattice and we derive the corresponding Bianchi permutability principle. Finally, we study two-dimensional generalized isothermic lattices, in particular geometry of their initial boundary value problem

Supersymmetric lattices

International Nuclear Information System (INIS)

Catterall, Simon

2013-01-01

Discretization of supersymmetric theories is an old problem in lattice field theory. It has resisted solution until quite recently when new ideas drawn from orbifold constructions and topological field theory have been brought to bear on the question. The result has been the creation of a new class of lattice gauge theory in which the lattice action is invariant under one or more supersymmetries. The resultant theories are local and free of doublers and in the case of Yang-Mills theories also possess exact gauge invariance. In principle they form the basis for a truly non-perturbative definition of the continuum supersymmetric field theory. In this talk these ideas are reviewed with particular emphasis being placed on N = 4 super Yang-Mills theory.

Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3.

Science.gov (United States)

Vaitheeswaran, G; Kanchana, V; Zhang, Xinxin; Ma, Yanming; Svane, A; Christensen, N E

2016-08-10

A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent [Formula: see text] approximation. The [Formula: see text] calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

Antiferromagnetic order in the Hubbard model on the Penrose lattice

Science.gov (United States)

Koga, Akihisa; Tsunetsugu, Hirokazu

2017-12-01

We study an antiferromagnetic order in the ground state of the half-filled Hubbard model on the Penrose lattice and investigate the effects of quasiperiodic lattice structure. In the limit of infinitesimal Coulomb repulsion U →+0 , the staggered magnetizations persist to be finite, and their values are determined by confined states, which are strictly localized with thermodynamics degeneracy. The magnetizations exhibit an exotic spatial pattern, and have the same sign in each of cluster regions, the size of which ranges from 31 sites to infinity. With increasing U , they continuously evolve to those of the corresponding spin model in the U =∞ limit. In both limits of U , local magnetizations exhibit a fairly intricate spatial pattern that reflects the quasiperiodic structure, but the pattern differs between the two limits. We have analyzed this pattern change by a mode analysis by the singular value decomposition method for the fractal-like magnetization pattern projected into the perpendicular space.

A local factorization of the fermion determinant in lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Ce, Marco [Scuola Normale Superiore, Pisa (Italy); INFN, Pisa (Italy); Giusti, Leonardo [Milano-Bicocca Univ. (Italy). Dipartimento di Fisica; INFN, Milano-Bicocca (Italy); Schaefer, Stefan [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2016-09-15

We introduce a factorization of the fermion determinant in lattice QCD with Wilson-type fermions that leads to a bosonic action which is local in the block fields. The interaction among gauge fields on distant blocks is mediated by multiboson fields located on the boundaries of the blocks. The resultant multiboson domain-decomposed hybrid Monte Carlo passes extensive numerical tests carried out by measuring standard gluonic observables. The combination of the determinant factorization and of the one of the propagator, that we put forward recently, paves the way for multilevel Monte Carlo integration in the presence of fermions. We test this possibility by computing the disconnected correlator of two flavor-diagonal pseudoscalar densities, and we observe a significant increase of the signal-to-noise ratio due to a two-level integration.

Anomalous diffusion in a dynamical optical lattice

Science.gov (United States)

Zheng, Wei; Cooper, Nigel R.

2018-02-01

Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to have a period that is incommensurate with that of an underlying static lattice, leading to a dynamical version of the Aubry-André model which can cause localization of single-particle wave functions. We show that atomic wave packets in this dynamical lattice generically spread via anomalous diffusion, which can be tuned between superdiffusive and subdiffusive regimes. This anomalous diffusion arises from an interplay between Anderson localization and quantum fluctuations of the cavity field.

Frustrated Heisenberg Antiferromagnets on Cubic Lattices: Magnetic Structures, Exchange Gaps, and Non-Conventional Critical Behaviour

OpenAIRE

Ignatenko, A. N.; Irkhin, V. Yu.

2016-01-01

We have studied the Heisenberg antiferromagnets characterized by the magnetic structures with the periods being two times larger than the lattice period. We have considered all the types of the Bravais lattices (simple cubic, bcc and fcc) and divided all these antiferromagnets into 7 classes i.e. 3 plus 4 classes denoted with symbols A and B correspondingly. The order parameter characterizing the degeneracies of the magnetic structures is an ordinary Neel vector for A classes and so-called 4-...

Lattice relaxation theory of localized excitations in quasi-one-dimensional systems

International Nuclear Information System (INIS)

Wang Chuilin; Su Zhaobin; Yu Lu.

1993-04-01

The lattice relaxation theory developed earlier by Su and Yu for solitons and polarons in conducting polymers is applied to systems with both electron-phonon and electron-electron interactions, described by a single band Peierls-Hubbard model. The localized excitations in the competing bond-order-wave (BOW), charge-density-wave (CDW) and spin-density-wave (SDW) systems show interesting new features in their dynamics. In particular, a non-monotonic dependence of the relaxation rate on the coupling strength is predicted from the theory. The possible connection of this effect with photo-luminescence experiments is discussed. Similar phenomena may occur in other quasi-one-dimensional systems as well. (author). 21 refs, 4 figs

Phase controllable dynamical localization of a quantum particle in a driven optical lattice

International Nuclear Information System (INIS)

Singh, Navinder

2012-01-01

The Dunlap–Kenkre (DK) result states that dynamical localization of a driven quantum particle in a periodic lattice happens when the ratio of the field magnitude to the field frequency of the diagonal drive is a root of the ordinary Bessel function of order 0. This has been experimentally verified. A generalization of the DK result is presented here. The hitherto considered DK model contains only the diagonal forcing. In the present extended version of the DK model we consider both off-diagonal and diagonal driving fields with different frequencies and a definite relative phase between them. We analytically show that new dynamical localizations conditions exist where an important role is played by the relative phase. In appropriate limits our results reduce to DK result. -- Highlights: ► We give a generalization of the Dunlap–Kenkre result on dynamical localization. ► We consider the case of both off-diagonal and diagonal fields with a relative phase. ► We show that new dynamical localizations conditions exist. ► An important role is played by the hitherto neglected relative phase.

Quantitative Characterization of the Nanoscale Local Lattice Strain Induced by Sr Dopants in La1.92Sr0.08CuO4

Science.gov (United States)

Lin, J. Q.; Liu, X.; Blackburn, E.; Wakimoto, S.; Ding, H.; Islam, Z.; Sinha, S. K.

2018-05-01

The nanometer scale lattice deformation brought about by the dopants in the high temperature superconducting cuprate La2 -xSrx CuO4 (x =0.08 ) was investigated by measuring the associated x-ray diffuse scattering around multiple Bragg peaks. A characteristic diffuse scattering pattern was observed, which can be well described by continuum elastic theory. With the fitted dipole force parameters, the acoustic-type lattice deformation pattern was reconstructed and found to be of similar size to lattice thermal vibration at 7 K. Our results address the long-term concern of dopant introduced local lattice inhomogeneity, and show that the associated nanometer scale lattice deformation is marginal and cannot, alone, be responsible for the patched variation in the spectral gaps observed with scanning tunneling microscopy in the cuprates.

Lattice-parameter-difference measurement of heteroepitaxial structures by means of extremely asymmetrical Bragg diffraction

International Nuclear Information System (INIS)

Pietsch, U.; Borchard, W.

1987-01-01

The sensitivity of measurements of the lattice-parameter difference in monocrystalline heterostructures can be enhanced by use of an extremely asymmetrical diffraction geometry. If the angle of incidence is somewhat higher than the critical angle for total external reflection, the Bragg peak is shifted from the position calculated by kinematic theory. The amount of shift depends on the angle of incidence as well as on the mass density of the material used. For heteroepitaxial structures both the layer and the substrate peaks are shifted but by different amounts. Therefore it becomes possible to characterize layers of totally lattice-matched structures also. (orig.)

Glueball Spectrum and Matrix Elements on Anisotropic Lattices

Energy Technology Data Exchange (ETDEWEB)

Y. Chen; A. Alexandru; S.J. Dong; T. Draper; I. Horvath; F.X. Lee; K.F. Liu; N. Mathur; C. Morningstar; M. Peardon; S. Tamhankar; B.L. Young; J.B. Zhang

2006-01-01

The glueball-to-vacuum matrix elements of local gluonic operators in scalar, tensor, and pseudoscalar channels are investigated numerically on several anisotropic lattices with the spatial lattice spacing ranging from 0.1fm - 0.2fm. These matrix elements are needed to predict the glueball branching ratios in J/{psi} radiative decays which will help identify the glueball states in experiments. Two types of improved local gluonic operators are constructed for a self-consistent check and the finite volume effects are studied. We find that lattice spacing dependence of our results is very weak and the continuum limits are reliably extrapolated, as a result of improvement of the lattice gauge action and local operators. We also give updated glueball masses with various quantum numbers.

Local structure studies of Fe{sub 2}TeO{sub 6} using x-ray absorption spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Singh, Harishchandra, E-mail: singh85harish@gmail.com [Homi Bhabha National Institute, Raja Ramanna Centre for Advanced Technology, Indore-452013 (India); Indus Synchrotron Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore-452013 (India); Yadav, A. K. [Atomic & Molecular Physics Division Bhabha Atomic Research Centre, Mumbai – 400 094 (India)

2016-05-23

In the present study, we have performed EXAFS measurements on powder samples of Fe{sub 2}TeO{sub 6} (FTO) to probe the local structure surrounding at the Fe site. The structural parameters (atomic coordination and lattice parameters) of FTO used for simulation of theoretical EXAFS spectra of the samples have been obtained from Rietveld refined structure on synchrotron X-ray Diffraction (SXRD) data. Quite similar and satisfactory structural parameters have been obtained from both the study, indicating goodness of synchrotron structural analysis over EXAFS analysis. SXRD and EXAFS results shows absence of any secondary phase proves current synthesis superior over reported techniques.

From lattice Hamiltonians to tunable band structures by lithographic design

Science.gov (United States)

Tadjine, Athmane; Allan, Guy; Delerue, Christophe

2016-08-01

Recently, new materials exhibiting exotic band structures characterized by Dirac cones, nontrivial flat bands, and band crossing points have been proposed on the basis of effective two-dimensional lattice Hamiltonians. Here, we show using atomistic tight-binding calculations that these theoretical predictions could be experimentally realized in the conduction band of superlattices nanolithographed in III-V and II-VI semiconductor ultrathin films. The lithographed patterns consist of periodic lattices of etched cylindrical holes that form potential barriers for the electrons in the quantum well. In the case of honeycomb lattices, the conduction minibands of the resulting artificial graphene host several Dirac cones and nontrivial flat bands. Similar features, but organized in different ways, in energy or in k -space are found in kagome, distorted honeycomb, and Lieb superlattices. Dirac cones extending over tens of meV could be obtained in superlattices with reasonable sizes of the lithographic patterns, for instance in InAs/AlSb heterostructures. Bilayer artificial graphene could be also realized by lithography of a double quantum-well heterostructure. These new materials should be interesting for the experimental exploration of Dirac-based quantum systems, for both fundamental and applied physics.

Study of the tunneling effect within lattices with cubic structure on varying temperature

International Nuclear Information System (INIS)

Frisone, F.

2008-01-01

In this theoretical study, it is underlined that the presence of micro-cracks in the lattice structure increases the probability of tunneling effect between two deuterons by some orders of magnitude with respect to non-deformed lattices. We have derived an expression to compute the tunneling probability within a micro-crack, and hypothesized a D + 2 -D + 2 binding mechanism. Finally, the overall indications provided by these theoretical simulations appear to suggest that the deformation of the crystalline lattice, at varying temperature, seems able to influence the process of tunneling between the deuterons in the metal, while the forced loading with D 2 has, in general, no evident positive effects in pure metals, but in some cases could, on the contrary, condition the phenomenon negatively. (authors)

Decoupling the Lattice Distortion and Charge Doping Effects on the Phase Transition Behavior of VO2 by Titanium (Ti4+) Doping

Science.gov (United States)

Wu, Yanfei; Fan, Lele; Liu, Qinghua; Chen, Shi; Huang, Weifeng; Chen, Feihu; Liao, Guangming; Zou, Chongwen; Wu, Ziyu

2015-01-01

The mechanism for regulating the critical temperature (TC) of metal-insulator transition (MIT) in ions-doped VO2 systems is still a matter of debate, in particular, the unclear roles of lattice distortion and charge doping effects. To rule out the charge doping effect on the regulation of TC, we investigated Ti4+-doped VO2 (TixV1-xO2) system. It was observed that the TC of TixV1-xO2 samples first slightly decreased and then increased with increasing Ti concentration. X-ray absorption fine structure (XAFS) spectroscopy was used to explore the electronic states and local lattice structures around both Ti and V atoms in TixV1-xO2 samples. Our results revealed the local structure evolution from the initial anatase to the rutile-like structure around the Ti dopants. Furthermore, the host monoclinic VO2 lattice, specifically, the VO6 octahedra would be subtly distorted by Ti doping. The distortion of VO6 octahedra and the variation of TC showed almost the similar trend, confirming the direct effect of local structural perturbations on the phase transition behavior. By comparing other ion-doping systems, we point out that the charge doping is more effective than the lattice distortion in modulating the MIT behavior of VO2 materials. PMID:25950809

Integrable nonlinear Schrödinger system on a lattice with three structural elements in the unit cell

Science.gov (United States)

Vakhnenko, Oleksiy O.

2018-05-01

Developing the idea of increasing the number of structural elements in the unit cell of a quasi-one-dimensional lattice as applied to the semi-discrete integrable systems of nonlinear Schrödinger type, we construct the zero-curvature representation for the general integrable nonlinear system on a lattice with three structural elements in the unit cell. The integrability of the obtained general system permits to find explicitly a number of local conservation laws responsible for the main features of system dynamics and in particular for the so-called natural constraints separating the field variables into the basic and the concomitant ones. Thus, considering the reduction to the semi-discrete integrable system of nonlinear Schrödinger type, we revealed the essentially nontrivial impact of concomitant fields on the Poisson structure and on the whole Hamiltonian formulation of system dynamics caused by the nonzero background values of these fields. On the other hand, the zero-curvature representation of a general nonlinear system serves as an indispensable key to the dressing procedure of system integration based upon the Darboux transformation of the auxiliary linear problem and the implicit Bäcklund transformation of field variables. Due to the symmetries inherent to the six-component semi-discrete integrable nonlinear Schrödinger system with attractive-type nonlinearities, the Darboux-Bäcklund dressing scheme is shown to be simplified considerably, giving rise to the appropriately parameterized multi-component soliton solution consisting of six basic and four concomitant components.

Fusion basis for lattice gauge theory and loop quantum gravity

Energy Technology Data Exchange (ETDEWEB)

Delcamp, Clement [Perimeter Institute for Theoretical Physics,31 Caroline Street North, Waterloo, Ontario N2L 2Y5 (Canada); Department of Physics Astronomy and Guelph-Waterloo Physics Institute, University of Waterloo,Waterloo, Ontario N2L 3G1 (Canada); Dittrich, Bianca; Riello, Aldo [Perimeter Institute for Theoretical Physics,31 Caroline Street North, Waterloo, Ontario N2L 2Y5 (Canada)

2017-02-10

We introduce a new basis for the gauge-invariant Hilbert space of lattice gauge theory and loop quantum gravity in (2+1) dimensions, the fusion basis. In doing so, we shift the focus from the original lattice (or spin-network) structure directly to that of the magnetic (curvature) and electric (torsion) excitations themselves. These excitations are classified by the irreducible representations of the Drinfel’d double of the gauge group, and can be readily “fused” together by studying the tensor product of such representations. We will also describe in detail the ribbon operators that create and measure these excitations and make the quasi-local structure of the observable algebra explicit. Since the fusion basis allows for both magnetic and electric excitations from the onset, it turns out to be a precious tool for studying the large scale structure and coarse-graining flow of lattice gauge theories and loop quantum gravity. This is in neat contrast with the widely used spin-network basis, in which it is much more complicated to account for electric excitations, i.e. for Gauß constraint violations, emerging at larger scales. Moreover, since the fusion basis comes equipped with a hierarchical structure, it readily provides the language to design states with sophisticated multi-scale structures. Another way to employ this hierarchical structure is to encode a notion of subsystems for lattice gauge theories and (2+1) gravity coupled to point particles. In a follow-up work, we have exploited this notion to provide a new definition of entanglement entropy for these theories.

Fusion basis for lattice gauge theory and loop quantum gravity

International Nuclear Information System (INIS)

Delcamp, Clement; Dittrich, Bianca; Riello, Aldo

2017-01-01

We introduce a new basis for the gauge-invariant Hilbert space of lattice gauge theory and loop quantum gravity in (2+1) dimensions, the fusion basis. In doing so, we shift the focus from the original lattice (or spin-network) structure directly to that of the magnetic (curvature) and electric (torsion) excitations themselves. These excitations are classified by the irreducible representations of the Drinfel’d double of the gauge group, and can be readily “fused” together by studying the tensor product of such representations. We will also describe in detail the ribbon operators that create and measure these excitations and make the quasi-local structure of the observable algebra explicit. Since the fusion basis allows for both magnetic and electric excitations from the onset, it turns out to be a precious tool for studying the large scale structure and coarse-graining flow of lattice gauge theories and loop quantum gravity. This is in neat contrast with the widely used spin-network basis, in which it is much more complicated to account for electric excitations, i.e. for Gauß constraint violations, emerging at larger scales. Moreover, since the fusion basis comes equipped with a hierarchical structure, it readily provides the language to design states with sophisticated multi-scale structures. Another way to employ this hierarchical structure is to encode a notion of subsystems for lattice gauge theories and (2+1) gravity coupled to point particles. In a follow-up work, we have exploited this notion to provide a new definition of entanglement entropy for these theories.

Manipulation and quantification of microtubule lattice integrity

Directory of Open Access Journals (Sweden)

Taylor A. Reid

2017-08-01

Full Text Available Microtubules are structural polymers that participate in a wide range of cellular functions. The addition and loss of tubulin subunits allows the microtubule to grow and shorten, as well as to develop and repair defects and gaps in its cylindrical lattice. These lattice defects act to modulate the interactions of microtubules with molecular motors and other microtubule-associated proteins. Therefore, tools to control and measure microtubule lattice structure will be invaluable for developing a quantitative understanding of how the structural state of the microtubule lattice may regulate its interactions with other proteins. In this work, we manipulated the lattice integrity of in vitro microtubules to create pools of microtubules with common nucleotide states, but with variations in structural states. We then developed a series of novel semi-automated analysis tools for both fluorescence and electron microscopy experiments to quantify the type and severity of alterations in microtubule lattice integrity. These techniques will enable new investigations that explore the role of microtubule lattice structure in interactions with microtubule-associated proteins.

Systematic study of the lattice dynamics of the uranium rocksalt-structure compounds

International Nuclear Information System (INIS)

Jackman, J.A.; Holden, T.M.; Buyers, W.J.L.; DuPlessis, P. de V.; Vogt, O.; Genossar, J.

1986-01-01

The phonon-dispersion relations of USe and UTe have been determined by the inelastic scattering of thermal neutrons. All existing phonon measurements for the UX series, viz., UC, UN, UAs, USb, US, USe, and UTe, have been fitted to the rigid-ion and shell models and dispersion relations have been predicted for UP. The U-X force constants dominate the lattice dynamics and are nearly constant for the series, whereas the U-U force constants vary systematically from being large and positive for the compounds with the smallest lattice parameter to being negative for the chalcogenide series. The negative U-U force constant is identified with destabilizing f-d interactions. Elastic constants, derived from the slopes of the dispersion relations and from ultrasound velocity measurements, have been determined. The bulk modulus decreases unusually rapidly as the lattice parameter increases and is in fair agreement with band-structure calculations

A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP)

International Nuclear Information System (INIS)

Tsuruta, Osamu; Yokoyama, Hideshi; Fujii, Satoshi

2012-01-01

A new crystal lattice structure of H. pylori neutrophil-activating protein has been determined. Iron loading causes a series of conformational changes at the ferroxidase centre. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP) has been determined in two forms: the native state (Apo) at 2.20 Å resolution and an iron-loaded form (Fe-load) at 2.50 Å resolution. The highly solvated packing of the dodecameric shell is suitable for crystallographic study of the metal ion-uptake pathway. Like other bacterioferritins, HP-NAP forms a spherical dodecamer with 23 symmetry including two kinds of channels. Iron loading causes a series of conformational changes of amino-acid residues (Trp26, Asp52 and Glu56) at the ferroxidase centre

Nucleon structure by Lattice QCD computations with twisted mass fermions

International Nuclear Information System (INIS)

Harraud, P.A.

2010-11-01

Understanding the structure of the nucleon from quantum chromodynamics (QCD) is one of the greatest challenges of hadronic physics. Only lattice QCD allows to determine numerically the values of the observables from ab-initio principles. This thesis aims to study the nucleon form factors and the first moments of partons distribution functions by using a discretized action with twisted mass fermions. As main advantage, the discretization effects are suppressed at first order in the lattice spacing. In addition, the set of simulations allows a good control of the systematical errors. After reviewing the computation techniques, the results obtained for a wide range of parameters are presented, with lattice spacings varying from 0.0056 fm to 0.089 fm, spatial volumes from 2.1 up to 2.7 fm and several pion masses in the range of 260-470 MeV. The vector renormalization constant was determined in the nucleon sector with improved precision. Concerning the electric charge radius, we found a finite volume effect that provides a key towards an explanation of the chiral dependence of the physical point. The results for the magnetic moment, the axial charge, the magnetic and axial charge radii, the momentum and spin fractions carried by the quarks show no dependence on the lattice spacing nor volume. In our range of pion masses, their values show a deviation from the experimental values. Their chiral behaviour do not exhibit the curvature predicted by the chiral perturbation theory which could explain the apparent discrepancy. (author)

PROCEEDINGS OF RIKEN BNL RESEARCH CENTER WORKSHOP, HADRON STRUCTURE FROM LATTICE QCD, MARCH 18 - 22, 2002, BROOKHAVEN NATIONAL LABORATORY.

Energy Technology Data Exchange (ETDEWEB)

BLUM, T.; BOER, D.; CREUTZ, M.; OHTA, S.; ORGINOS, K.

2002-03-18

The RIKEN BNL Research Center workshop on ''Hadron Structure from Lattice QCD'' was held at BNL during March 11-15, 2002. Hadron structure has been the subject of many theoretical and experimental investigations, with significant success in understanding the building blocks of matter. The nonperturbative nature of QCD, however, has always been an obstacle to deepening our understanding of hadronic physics. Lattice QCD provides the tool to overcome these difficulties and hence a link can be established between the fundamental theory of QCD and hadron phenomenology. Due to the steady progress in improving lattice calculations over the years, comparison with experimentally measured hadronic quantities has become important. In this respect the workshop was especially timely. By providing an opportunity for experts from the lattice and hadron structure communities to present their latest results, the workshop enhanced the exchange of knowledge and ideas. With a total of 32 registered participants and 26 talks, the interest of a growing community is clearly exemplified. At the workshop Schierholz and Negele presented the current status of lattice computations of hadron structure. Substantial progress has been made during recent years now that the quenched results are well under control and the first dynamical results have appeared. In both the dynamical and the quenched simulations the lattice results, extrapolated to lighter quark masses, seem to disagree with experiment. Melnitchouk presented a possible explanation (chiral logs) for this disagreement. It became clear from these discussions that lattice computations at significantly lighter quark masses need to be performed.

Baryon structure from lattice QCD

International Nuclear Information System (INIS)

Alexandrou, C.

2009-01-01

We present recent lattice results on the baryon spectrum, nucleon electromagnetic and axial form factors, nucleon to Δ transition form factors as well as the Δ electromagnetic form factors. The masses of the low lying baryons and the nucleon form factors are calculated using two degenerate flavors of twisted mass fermions down to pion mass of about 270 MeV. We compare to the results of other collaborations. The nucleon to Δ transition and Δ form factors are calculated in a hybrid scheme, which uses staggered sea quarks and domain wall valence quarks. The dominant magnetic dipole nucleon to Δ transition form factor is also evaluated using dynamical domain wall fermions. The transverse density distributions of the Δ in the infinite momentum frame are extracted using the form factors determined from lattice QCD. (author)

A New Adaptive Structural Signature for Symbol Recognition by Using a Galois Lattice as a Classifier.

Science.gov (United States)

Coustaty, M; Bertet, K; Visani, M; Ogier, J

2011-08-01

In this paper, we propose a new approach for symbol recognition using structural signatures and a Galois lattice as a classifier. The structural signatures are based on topological graphs computed from segments which are extracted from the symbol images by using an adapted Hough transform. These structural signatures-that can be seen as dynamic paths which carry high-level information-are robust toward various transformations. They are classified by using a Galois lattice as a classifier. The performance of the proposed approach is evaluated based on the GREC'03 symbol database, and the experimental results we obtain are encouraging.

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.

Direct measurement of DX-centre related lattice relaxations in Al$_{x}$Ga$_{1-x}$As compounds

CERN Multimedia

2002-01-01

Donor impurities from elements of group IV and VI form localized electronic states, so-called DX-centers, in AlGaAs and other semiconductors. One of the well known effects related to DX-centers is the persistent photoconductivity. In spite of extensive studies, the microscopic structure of the DX-center is still a matter of controversy. The direct determination of the donor lattice sites and their microscopical surrounding is a crucial point in understanding the relation of microscopic structure to the localized electronic state of the DX-center.\\\\ It is proposed to implant radioactive group VI elements $^{73}$Se (from $^{73}$Br) and $^{118}$Te (from $^{118}$Xe) into Al$_{x}$Ga$_{1-x}$As of different mole fractions ${x}$ and to determine (i) the lattice site of Te and Se impurities by emission channeling of decay positrons and electrons (ii) the local structure of Se impurities using the perturbed $\\gamma$-$\\gamma$-angular correlation technique (PAC). The appearance of the DX-center shall be check...

Phase structure of thermal lattice QCD with N{sub f} = 2 twisted mass Wilson fermions

Energy Technology Data Exchange (ETDEWEB)

Ilgenfritz, E.M. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Heidelberg Univ. (Germany). Inst. fuer Theoretische Physik; Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Lombardo, M. P. [INFN, Laboratori Nazionali di Frascati (Italy); Mueller-Preussker, M.; Petschlies, M. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Philipsen, O.; Zeidlewicz, L. [Inst. fuer Theoretische Physik, Wilhelms-Univ. Muenster (Germany)

2009-09-15

We present numerical results for the phase diagram of lattice QCD at finite temperature in the formulation with twisted mass Wilson fermions and a tree-level Symanzik-improved gauge action. Our simulations are performed on lattices with temporal extent N{sub {tau}}=8, and lattice coupling {beta} ranging from strong coupling to the scaling domain. Covering a wide range in the space spanned by the lattice coupling {beta} and the hopping and twisted mass parameters {kappa} and {mu}, respectively, we obtain a comprehensive picture of the rich phase structure of the lattice theory. In particular, we verify the existence of an Aoki phase in the strong coupling region and the realisation of the Sharpe-Singleton scenario at intermediate couplings. In the weak coupling region we identify the phase boundary for the physical finite temperature phase transition/crossover. Its shape in the three-dimensional parameter space is consistent with Creutz's conjecture of a cone-shaped thermal transition surface. (orig.)

Local structure in (MnS)2x(CuInS2)1-x alloys

International Nuclear Information System (INIS)

Pietnoczka, A.; Bacewicz, R.; Schorr, S.

2006-01-01

Local structure around Mn atoms in (MnS) 2x (CuInS 2 ) 1-x alloys for x≤0.09 has been determined using near-edge and extended X-ray absorption fine structure (XANES and EXAFS) measured at the Mn K-edge. We found that for the Mn concentration up to 9 at% Mn atoms substitute preferentially for indium in the chalcopyrite lattice. The Mn-S bond length is 2.43±0.015 Aa, and is about 2% shorter than the In-S bond length. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

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 penalizing deviations in alignment and lattice node distance. The Markov random field represents prior knowledge about the lattice structure, and through an observation model that incorporates the visual appearance of the nodes, we can simulate realizations from the posterior distribution. A maximum...... a posteriori (MAP) estimate, found by simulated annealing, is used as the reconstructed lattice. The model was developed as a central part of an algorithm for automatic analylsis of genetic experiments, positioned in a lattice structure by a robot. The algorithm has been successfully applied to many images...

Electronic structure and lattice dynamics of rhombohedral BiAlO_3 from first-principles

International Nuclear Information System (INIS)

Kaczkowski, J.

2016-01-01

The structural, elastic, electronic, dynamical (zone-center phonon modes and Born effective charge tensors), and ferroelectric properties of the rhombohedral BiAlO_3 were calculated within various exchange-correlation functionals. The standard local-density (LDA) and generalized gradient (GGA) approximations, and nonlocal hybrid Heyd-Scuseria-Ernzerhof (HSE) were used. We have also performed the electronic structure calculations with meta-GGA Tran-Blaha functional. BiAlO_3 is indirect band gap semiconductor with the value of band gap: 2.87 eV (GGA), 4.14 eV (HSE), and 3.78 eV (TB-mBJ). The calculated spontaneous polarization is 81 μC/cm"2 (87 μC/cm"2) for GGA (HSE). The vibrational spectrum including LO-TO splitting was calculated within GGA. The zone-center phonon modes with LO-TO splitting for BiAlO_3 were compared with those in isostructural BiFeO_3. - Highlights: • Electronic structure of the rhombohedral phase of BiAlO_3 were calculated. • Structural, elastic, dynamical, and ferroelectric properties were investigated. • Calculations were done within GGA, hybrid HSE, and TB-mBJ functionals. • The lattice dynamics with LO-TO splitting were investigated within GGA functional.

X-ray Tomography Characterisation of Lattice Structures Processed by Selective Electron Beam Melting

Directory of Open Access Journals (Sweden)

Everth Hernández-Nava

2017-08-01

Full Text Available Metallic lattice structures intentionally contain open porosity; however, they can also contain unwanted closed porosity within the structural members. The entrained porosity and defects within three different geometries of Ti-6Al-4V lattices, fabricated by Selective Electron Beam Melting (SEBM, is assessed from X-ray computed tomography (CT scans. The results suggest that horizontal struts that are built upon loose powder show particularly high (~20 × 10−3 vol % levels of pores, as do nodes at which many (in our case 24 struts meet. On the other hand, for struts more closely aligned (0° to 54° to the build direction, the fraction of porosity appears to be much lower (~0.17 × 10−3% arising mainly from pores contained within the original atomised powder particles.

New integrable lattice hierarchies

International Nuclear Information System (INIS)

Pickering, Andrew; Zhu Zuonong

2006-01-01

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

Effects of lattice fluctuations on electronic transmission in metal/conjugated-oligomer/metal structures

International Nuclear Information System (INIS)

Yu, Z.G.; Smith, D.L.; Saxena, A.; Bishop, A.R.

1997-01-01

The electronic transmission across metal/conjugated-oligomer/metal structures in the presence of lattice fluctuations is studied for short oligomer chains. The lattice fluctuations are approximated by static white noise disorder. Resonant transmission occurs when the energy of an incoming electron coincides with a discrete electronic level of the oligomer. The corresponding transmission peak diminishes in intensity with increasing disorder strength. Because of disorder there is an enhancement of the electronic transmission for energies that lie within the electronic gap of the oligomer. If fluctuations are sufficiently strong, a transmission peak within the gap is found at the midgap energy E=0 for degenerate conjugated oligomers (e.g., trans-polyacetylene) and E≠0 for AB-type degenerate oligomers. These results can be interpreted in terms of soliton-antisoliton states created by lattice fluctuations. copyright 1997 The American Physical Society

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.

Localized and Delocalized Motion of Colloidal Particles on a Magnetic Bubble Lattice

International Nuclear Information System (INIS)

Tierno, Pietro; Fischer, Thomas M.; Johansen, Tom H.

2007-01-01

We study the motion of paramagnetic colloidal particles placed above magnetic bubble domains of a uniaxial garnet film and driven through the lattice by external magnetic field modulation. An external tunable precessing field propels the particles either in localized orbits around the bubbles or in superdiffusive or ballistic motion through the bubble array. This motion results from the interplay between the driving rotating signal, the viscous drag force and the periodic magnetic energy landscape. We explain the transition in terms of the incommensurability between the transit frequency of the particle through a unit cell and the modulation frequency. Ballistic motion dynamically breaks the symmetry of the array and the phase locked particles follow one of the six crystal directions

From Discrete Breathers to Many Body Localization and Flatbands

Science.gov (United States)

Flach, Sergej

Discrete breathers (DB) and intrinsic localized modes (ILM) are synonymic dynamical states on nonlinear lattices - periodic in time and localized in space, and widely observed in many applications. I will discuss the connections between DBs and many-body localization (MBL) and the properties of DBs on flatband networks. A dense quantized gas of strongly excited DBs can lead to a MBL phase in a variety of different lattice models. Its classical counterpart corresponds to a 'nonergodic metal' in the MBL language, or to a nonGibbsean selftrapped state in the language of nonlinear dynamics. Flatband networks are lattices with small amplitude waves exhibiting macroscopic degeneracy in their band structure due to local symmetries, destructive interference, compact localized eigenstates and horizontal flat bands. DBs can preserve the compactness of localization in the presence of nonlinearity with properly tuned internal phase relationships, making them promising tools for control of the phase coherence of waves. Also at New Zealand Institute of Advanced Study, Massey University, Auckland, New Zealand.

Application of Transfer Matrix Approach to Modeling and Decentralized Control of Lattice-Based Structures

Science.gov (United States)

Cramer, Nick; Swei, Sean Shan-Min; Cheung, Kenny; Teodorescu, Mircea

2015-01-01

This paper presents a modeling and control of aerostructure developed by lattice-based cellular materials/components. The proposed aerostructure concept leverages a building block strategy for lattice-based components which provide great adaptability to varying ight scenarios, the needs of which are essential for in- ight wing shaping control. A decentralized structural control design is proposed that utilizes discrete-time lumped mass transfer matrix method (DT-LM-TMM). The objective is to develop an e ective reduced order model through DT-LM-TMM that can be used to design a decentralized controller for the structural control of a wing. The proposed approach developed in this paper shows that, as far as the performance of overall structural system is concerned, the reduced order model can be as e ective as the full order model in designing an optimal stabilizing controller.

Introducing lattice strain to graphene encapsulated in hBN

Science.gov (United States)

Tomori, Hikari; Hiraide, Rineka; Ootuka, Youiti; Watanabe, Kenji; Taniguchi, Takashi; Kanda, Akinobu

Due to the characteristic lattice structure, lattice strain in graphene produces an effective gauge field. Theories tell that by controlling spatial variation of lattice strain, one can tailor the electronic state and transport properties of graphene. For example, under uniaxial local strain, graphene exhibits a transport gap at low energies, which is attractive for a graphene application to field effect devices. Here, we develop a method for encapsulating a strained graphene film in hexagonal boron-nitride (hBN). It is known that the graphene carrier mobility is significantly improved by the encapsulation of graphene in hBN, which has never been applied to strained graphene. We encapsulate graphene in hBN using the van der Waals assembly method. Strain is induced by sandwiching a graphene film between patterned hBN sheets. Spatial variation of strain is confirmed with micro Raman spectroscopy. Transport measurement of encapsulated strained graphene is in progress.

Is there lattice contraction in multicomponent metal oxides? Case study for GdVO4:Eu3+ nanoparticles

Science.gov (United States)

Yang, Liusai; Li, Liping; Zhao, Minglei; Fu, Chaochao; Li, Guangshe

2013-08-01

Metal oxide nanomaterials have been found to have great potential for diverse applications due to their unique relationships between structure and properties. Lattice expansion as particle size reduces was previously considered to be general for metal oxide nanomaterials. It is now a great challenge to see if lattice contraction could be induced by the size effect for metal oxide nanomaterials. ABO4 metal oxides (e.g., CaWO4, GdVO4, and CdWO4) are some of the most important functional materials with many applications, while such oxides at the nanoscale are never reported to show a lattice contraction. This work presents a first report on the variation from lattice expansion to lattice contraction by tuning the microstructures of GdVO4:Eu3+ nanocrystals. A hydrothermal method was adopted to synthesize GdVO4:Eu3+ nanocrystals, and then these nanoparticles were calcined at 600 ° C in air. It is found that particle size reduction led to a lattice contraction for the calcined samples, which is in contrast to the lattice expansion observed for the hydrothermally synthesized counterparts or many other metal oxide nanomaterials. In addition, the lattice symmetry of the calcined samples remained almost a constant. The results indicate that the negative surface stress was eliminated by calcination treatment, leading to a homogeneous compression process in the lattice structure of the calcined GdVO4:Eu3+ nanocrystals. Furthermore, Eu3+ was taken as a structural probe and a luminescence center to study the local environments pertinent to these structural changes and to optimize the photoluminescence performance.

Structure and lattice dynamics in non-centrosymmetric borates; Struktur und Gitterdynamik in azentrischen Boraten

Energy Technology Data Exchange (ETDEWEB)

Stein, W.D.R.

2007-04-23

This thesis deals with a study of structural and lattice dynamical properties of some noncentrosymmetric borates with outstanding non-linear optical properties. The focus was on the compound bismuth triborate (BiB{sub 3}O{sub 6}). The structure of the tetraborates MB{sub 4}O{sub 7} (M=Pb,Sr,Ba) was also investigated. The structural investigations in bismuth triborate include powder and single crystal diffraction experiments on X-ray and neutron sources. The crystal structure was under examination in the temperature range from 100 K to room temperature and the lattice constants in the temperature range from 20 K to 800 K. The lattice constants show a nearly linear dependency from temperature. Our observations are in good agreement with investigations of the thermal expansion, which shows a strong anisotropy within the layer-like structure of bismuth triborate. Within the borate layers, along the polar axis a strong positive and in the orthogonal direction a negative thermal expansion is observed. This effect can be explained by a zig-zag effect within the borate layers. The lone electron pair at the bismuth atom is discussed to be possibly the origin of the temperature dependency of the coordination environment of the bismuth atom. The influence of the lone electron pair on the crystal structure is raising by lowering the temperature. At the bismuth atom distinct anharmonic effects are observed, where the maximum points along the direction of the polar axis and therefore along the direction of the lone electron pair. The phonon dispersion of bismuth triborate has been investigated by inelastic neutron scattering. The low symmetry of the crystal structure depicts to be a special challenge. The dispersion was observed along the three reciprocal lattice constants. Along the polar axis the dispersion could be characterized to a maximum energy of 20 THz. The low energy acoustic branch along the polar axis shows a softening at the zone boundary. In the orthogonal

Discrete breathers in honeycomb Fermi–Pasta–Ulam lattices

International Nuclear Information System (INIS)

AD Wattis, Jonathan; M James, Lauren

2014-01-01

We consider the two-dimensional Fermi–Pasta–Ulam lattice with hexagonal honeycomb symmetry, which is a Hamiltonian system describing the evolution of a scalar-valued quantity subject to nearest neighbour interactions. Using multiple-scale analysis we reduce the governing lattice equations to a nonlinear Schrödinger equation coupled to a second equation for an accompanying slow mode. Two cases in which the latter equation can be solved and so the system decoupled are considered in more detail: firstly, in the case of a symmetric potential, we derive the form of moving breathers. We find an ellipticity criterion for the wavenumbers of the carrier wave, together with asymptotic estimates for the breather energy. The minimum energy threshold depends on the wavenumber of the breather. We find that this threshold is locally maximized by stationary breathers. Secondly, for an asymmetric potential we find stationary breathers, which, even with a quadratic nonlinearity generate no second harmonic component in the breather. Plots of all our findings show clear hexagonal symmetry as we would expect from our lattice structure. Finally, we compare the properties of stationary breathers in the square, triangular and honeycomb lattices. (paper)

Highly sensitive nano-porous lattice biosensor based on localized surface plasmon resonance and interference.

Science.gov (United States)

Yeom, Se-Hyuk; Kim, Ok-Geun; Kang, Byoung-Ho; Kim, Kyu-Jin; Yuan, Heng; Kwon, Dae-Hyuk; Kim, Hak-Rin; Kang, Shin-Won

2011-11-07

We propose a design for a highly sensitive biosensor based on nanostructured anodized aluminum oxide (AAO) substrates. A gold-deposited AAO substrate exhibits both optical interference and localized surface plasmon resonance (LSPR). In our sensor, application of these disparate optical properties overcomes problems of limited sensitivity, selectivity, and dynamic range seen in similar biosensors. We fabricated uniform periodic nanopore lattice AAO templates by two-step anodizing and assessed their suitability for application in biosensors by characterizing the change in optical response on addition of biomolecules to the AAO template. To determine the suitability of such structures for biosensing applications, we immobilized a layer of C-reactive protein (CRP) antibody on a gold coating atop an AAO template. We then applied a CRP antigen (Ag) atop the immobilized antibody (Ab) layer. The shift in reflectance is interpreted as being caused by the change in refractive index with membrane thickness. Our results confirm that our proposed AAO-based biosensor is highly selective toward detection of CRP antigen, and can measure a change in CRP antigen concentration of 1 fg/ml. This method can provide a simple, fast, and sensitive analysis for protein detection in real-time.

Symmetry breaking in a localized interacting binary Bose-Einstein condensate in a bichromatic optical lattice

International Nuclear Information System (INIS)

Cheng Yongshan; Adhikari, S. K.

2010-01-01

By direct numerical simulation of the time-dependent Gross-Pitaevskii equation using the split-step Fourier spectral method, we study different aspects of the localization of a cigar-shaped interacting binary (two-component) Bose-Einstein condensate (BEC) in a one-dimensional bichromatic quasiperiodic optical-lattice potential, as used in a recent experiment on the localization of a BEC [Roati et al., Nature 453, 895 (2008)]. We consider two types of localized states: (i) when both localized components have a maximum of density at the origin x=0, and (ii) when the first component has a maximum of density and the second a minimum of density at x=0. In the noninteracting case, the density profiles are symmetric around x=0. We numerically study the breakdown of this symmetry due to interspecies and intraspecies interactions acting on the two components. Where possible, we have compared the numerical results with a time-dependent variational analysis. We also demonstrate the stability of the localized symmetry-broken BEC states under small perturbation.

On techniques of ATR lattice computation

International Nuclear Information System (INIS)

1997-08-01

Lattice computation is to compute the average nuclear constants of unit fuel lattice which are required for computing core nuclear characteristics such as core power distribution and reactivity characteristics. The main nuclear constants are infinite multiplying rate, neutron movement area, cross section for diffusion computation, local power distribution and isotope composition. As for the lattice computation code, WIMS-ATR is used, which is based on the WIMS-D code developed in U.K., and for the purpose of heightening the accuracy of analysis, which was improved by adding heavy water scattering cross section considering the temperature dependence by Honeck model. For the computation of the neutron absorption by control rods, LOIEL BLUE code is used. The extrapolation distance of neutron flux on control rod surfaces is computed by using THERMOS and DTF codes, and the lattice constants of adjoining lattices are computed by using the WIMS-ATR code. As for the WIMS-ATR code, the computation flow and nuclear data library, and as for the LOIEL BLUE code, the computation flow are explained. The local power distribution in fuel assemblies determined by the WIMS-ATR code was verified with the measured data, and the results are reported. (K.I.)

An analytical study of double bend achromat lattice

Energy Technology Data Exchange (ETDEWEB)

Fakhri, Ali Akbar, E-mail: fakhri@rrcat.gov.in; Kant, Pradeep; Singh, Gurnam; Ghodke, A. D. [Raja Ramanna Centre for Advanced Technology, Indore 452 013 (India)

2015-03-15

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented.

An analytical study of double bend achromat lattice.

Science.gov (United States)

Fakhri, Ali Akbar; Kant, Pradeep; Singh, Gurnam; Ghodke, A D

2015-03-01

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented.

An analytical study of double bend achromat lattice

International Nuclear Information System (INIS)

Fakhri, Ali Akbar; Kant, Pradeep; Singh, Gurnam; Ghodke, A. D.

2015-01-01

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented

Temperature-dependent errors in nuclear lattice simulations

International Nuclear Information System (INIS)

Lee, Dean; Thomson, Richard

2007-01-01

We study the temperature dependence of discretization errors in nuclear lattice simulations. We find that for systems with strong attractive interactions the predominant error arises from the breaking of Galilean invariance. We propose a local 'well-tempered' lattice action which eliminates much of this error. The well-tempered action can be readily implemented in lattice simulations for nuclear systems as well as cold atomic Fermi systems

A map between corner and link operators in lattice gauge theories

International Nuclear Information System (INIS)

Bars, I.

1979-01-01

A completely local gauge-invariant lattice gauge theory is formulated in terms of a new set of variables introduced earlier in the continuum. This theory uses local 'corner' variables defined on lattice sites only, as opposed to the conventional 'link' variables. It is shown via a map that the formulation gives identical results to the usual lattice gauge theory. The properties of the quantum commutators in the continuum limit is also discussed and contrasted for the two lattice approaches. In terms of the corner operators the quantized lattice theory is seen to be closely related to continuum QCD. (Auth.)

Nanoscale measurements of phosphorous-induced lattice expansion in nanosecond laser annealed germanium

Science.gov (United States)

Boninelli, S.; Milazzo, R.; Carles, R.; Houdellier, F.; Duffy, R.; Huet, K.; La Magna, A.; Napolitani, E.; Cristiano, F.

2018-05-01

Laser Thermal Annealing (LTA) at various energy densities was used to recrystallize and activate amorphized germanium doped with phosphorous by ion implantation. The structural modifications induced during the recrystallization and the related dopant diffusion were first investigated. After LTA at low energy densities, the P electrical activation was poor while the dopant distribution was mainly localized in the polycrystalline Ge resulting from the anneal. Conversely, full dopant activation (up to 1 × 1020 cm-3) in a perfectly recrystallized material was observed after annealing at higher energy densities. Measurements of lattice parameters performed on the fully activated structures show that P doping results in a lattice expansion, with a perpendicular lattice strain per atom βPs = +0.7 ± 0.1 Å3. This clearly indicates that, despite the small atomic radius of P compared to Ge, the "electronic contribution" to the lattice parameter modification (due to the increased hydrostatic deformation potential in the conduction band of P doped Ge) is larger than the "size mismatch contribution" associated with the atomic radii. Such behavior, predicted by theory, is observed experimentally for the first time, thanks to the high sensitivity of the measurement techniques used in this work.

Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

KAUST Repository

Chen, Chen

2017-12-20

We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (DMA) and 5,10,15,20-tetrakis(4-aminophenyl) porphyrin (TAPP) onto a Au(111) surface in ultrahigh vacuum followed by annealing to facilitate Schiff-base condensations between monomers. Scanning tunneling spectroscopy (STS) experiments conducted on isolated TAPP precursor molecules and the covalently linked COF networks yield similar transport (HOMO-LUMO) gaps of 1.85 ± 0.05 eV and 1.98 ± 0.04 eV, respectively. The COF orbital energy alignment, however, undergoes a significant downward shift compared to isolated TAPP molecules due to the electron-withdrawing nature of the imine bond formed during COF synthesis. Direct imaging of the COF local density of states (LDOS) via dI/dV mapping reveals that the COF HOMO and LUMO states are localized mainly on the porphyrin cores and that the HOMO displays reduced symmetry. DFT calculations reproduce the imine-induced negative shift in orbital energies and reveal that the origin of the reduced COF wave function symmetry is a saddle-like structure adopted by the porphyrin macrocycle due to its interactions with the Au(111) substrate.

Superspace approach to lattice supersymmetry

International Nuclear Information System (INIS)

Kostelecky, V.A.; Rabin, J.M.

1984-01-01

We construct a cubic lattice of discrete points in superspace, as well as a discrete subgroup of the supersymmetry group which maps this ''superlattice'' into itself. We discuss the connection between this structure and previous versions of lattice supersymmetry. Our approach clarifies the mathematical problems of formulating supersymmetric lattice field theories and suggests new methods for attacking them

Nonlinear localized modes in dipolar Bose–Einstein condensates in two-dimensional optical lattices

International Nuclear Information System (INIS)

Rojas-Rojas, Santiago; Naether, Uta; Delgado, Aldo; Vicencio, Rodrigo A.

2016-01-01

Highlights: • We study discrete two-dimensional breathers in dipolar Bose–Einstein Condensates. • Important differences in the properties of three fundamental modes are found. • Norm threshold for existence of 2D breathers varies with dipolar interaction. • The Effective Potential Method is implemented for stability analysis. • Uncommon mobility of 2D discrete solitons is observed. - Abstract: We analyze the existence and properties of discrete localized excitations in a Bose–Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.

Nonlinear localized modes in dipolar Bose–Einstein condensates in two-dimensional optical lattices

Energy Technology Data Exchange (ETDEWEB)

Rojas-Rojas, Santiago, E-mail: srojas@cefop.cl [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Naether, Uta [Instituto de Ciencia de Materiales de Aragón and Departamento de Física de la Materia Condensada, CSIC-Universidad de Zaragoza, 50009 Zaragoza (Spain); Delgado, Aldo [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Vicencio, Rodrigo A. [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile)

2016-09-16

Highlights: • We study discrete two-dimensional breathers in dipolar Bose–Einstein Condensates. • Important differences in the properties of three fundamental modes are found. • Norm threshold for existence of 2D breathers varies with dipolar interaction. • The Effective Potential Method is implemented for stability analysis. • Uncommon mobility of 2D discrete solitons is observed. - Abstract: We analyze the existence and properties of discrete localized excitations in a Bose–Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.

Picosecond electron probe for direct investigation of lattice temperature and structural phase transition

International Nuclear Information System (INIS)

Mourou, G.; Williamson, S.

1985-01-01

The authors have directly observed the laser-induced melt metamorphosis of thin aluminum films. The time required for the melt to evolve is dependent on the degree to which the Al specimen is superheated. The temperature of this superheated state can also be monitored on the picosecond time scale. The picosecond electron probe not only reveals information about the structure of a material but also about the lattice temperature. The change in lattice parameter that is observed as a shift in diffracted ring diameter is directly related to the thermal expansion coefficient. Also, based on the Debye-Waller effect, a reduction in the intensity of the diffraction rings can be observed due to increased lattice vibration. Presently, a 1-kHz-1-mJ/pulse Nd:YAG laser is being used to measure the temperature overshoot of laser-induced Al films. The high repetition rate permits signal averaging to be employed thereby increasing the sensitivity of the thermometric technique

Quantum phases, supersolids and quantum phase transitions of interacting bosons in frustrated lattices

International Nuclear Information System (INIS)

Ye, Jinwu; Chen, Yan

2013-01-01

By using the dual vortex method (DVM), we develop systematically a simple and effective scheme to use the vortex degree of freedoms on dual lattices to characterize the symmetry breaking patterns of the boson insulating states in the direct lattices. Then we apply our scheme to study quantum phases and phase transitions in an extended boson Hubbard model slightly away from 1/3 (2/3) filling on frustrated lattices such as triangular and Kagome lattice. In a triangular lattice at 1/3, we find a X-CDW, a stripe CDW phase which was found previously by a density operator formalism (DOF). Most importantly, we also find a new CDW-VB phase which has both local CDW and local VB orders, in sharp contrast to a bubble CDW phase found previously by the DOF. In the Kagome lattice at 1/3, we find a VBS phase and a 6-fold CDW phase. Most importantly, we also identify a CDW-VB phase which has both local CDW and local VB orders which was found in previous QMC simulations. We also study several other phases which are not found by the DVM. By analyzing carefully the saddle point structures of the dual gauge fields in the translational symmetry breaking sides and pushing the effective actions slightly away from the commensurate filling f=1/3(2/3), we classified all the possible types of supersolids and analyze their stability conditions. In a triangular lattice, there are X-CDW supersolid, stripe CDW supersolid, but absence of any valence bond supersolid (VB-SS). There are also a new kind of supersolid: CDW-VB supersolid. In a Kagome lattice, there are 6-fold CDW supersolid, stripe CDW supersolid, but absence of any valence bond supersolid (VB-SS). There are also a new kind of supersolid: CDW-VB supersolid. We show that independent of the types of the SS, the quantum phase transitions from solids to supersolids driven by a chemical potential are in the same universality class as that from a Mott insulator to a superfluid, therefore have exact exponents z=2, ν=1/2, η=0 (with

Electron-lattice Interaction and Nonlinear Excitations in Cuprate Structures

International Nuclear Information System (INIS)

Paulsen, J.; Eschrig, H.; Drechsler, S.L.; Malek, J.

1995-01-01

A low temperature lattice modulation of the chains of the YBa 2 Cu 3 O 7 is considered by deriving a Hamiltonian of electron-lattice interaction from density-functional calculations for deformed lattice and solving it for the groundstate. Hubbard-type Coulomb interaction is included. The obtained groundstate is a charge-density-wave state with a pereodicity of four lattice constants and a gap for one-electron excitations of about 1eV, sensitively depending on parameters of the Hamiltonian. There are lots of polaronic and solitonic excitations with formation energies deep in the gap, which can pin the Fermi level and thus produce again metallicity of the chain. They might also contribute to pairing of holes in adjacent CuO 2 -planes. (author)

Lattice Boltzmann simulation of shear-induced particle migration in plane Couette-Poiseuille flow: Local ordering of suspension

Science.gov (United States)

Chun, Byoungjin; Kwon, Ilyoung; Jung, Hyun Wook; Hyun, Jae Chun

2017-12-01

The shear-induced migration of concentrated non-Brownian monodisperse suspensions in combined plane Couette-Poiseuille (C-P) flows is studied using a lattice Boltzmann simulation. The simulations are mainly performed for a particle volume fraction of ϕbulk = 0.4 and H/a = 44.3, 23.3, where H and a denote the channel height and radius of suspended particles, respectively. The simulation method is validated in two simple flows, plane Poiseuille and plane Couette flows. In the Poiseuille flow, particles migrate to the mid-plane of the channel where the local concentration is close to the limit of random-close-packing, and a random structure is also observed at the plane. In the Couette flow, the particle distribution remains in the initial uniform distribution. In the combined C-P flows, the behaviors of migration are categorized into three groups, namely, Poiseuille-dominant, Couette-dominant, and intermediate regimes, based on the value of a characteristic force, G, where G denotes the relative magnitude of the body force (P) against the wall-driving force (C). With respect to the Poiseuille-dominant regime, the location of the maximum concentration is shifted from the mid-plane to the lower wall moving in the same direction as the external body force, when G decreases. With respect to the Couette-dominant regime, the behavior is similar to that of a simple shear flow with the exception that a slightly higher concentration of particles is observed near the lower wall. However, with respect to the intermediate value of G, several layers of highly ordered particles are unexpectedly observed near the lower wall where the plane of maximum concentration is located. The locally ordered structure is mainly due to the lateral migration of particles and wall confinement. The suspended particles migrate toward a vanishingly small shear rate at the wall, and they are consequently layered into highly ordered two-dimensional structures at the high local volume fraction.

APPLICATION OF A LATTICE GAS MODEL FOR SUBPIXEL PROCESSING OF LOW-RESOLUTION IMAGES OF BINARY STRUCTURES

Directory of Open Access Journals (Sweden)

Zbisław Tabor

2011-05-01

Full Text Available In the study an algorithm based on a lattice gas model is proposed as a tool for enhancing quality of lowresolution images of binary structures. Analyzed low-resolution gray-level images are replaced with binary images, in which pixel size is decreased. The intensity in the pixels of these new images is determined by corresponding gray-level intensities in the original low-resolution images. Then the white phase pixels in the binary images are assumed to be particles interacting with one another, interacting with properly defined external field and allowed to diffuse. The evolution is driven towards a state with maximal energy by Metropolis algorithm. This state is used to estimate the imaged object. The performance of the proposed algorithm and local and global thresholding methods are compared.

Heavy water critical experiments on plutonium lattice

International Nuclear Information System (INIS)

Miyawaki, Yoshio; Shiba, Kiminori

1975-06-01

This report is the summary of physics study on plutonium lattice made in Heavy Water Critical Experiment Section of PNC. By using Deuterium Critical Assembly, physics study on plutonium lattice has been carried out since 1972. Experiments on following items were performed in a core having 22.5 cm square lattice pitch. (1) Material buckling (2) Lattice parameters (3) Local power distribution factor (4) Gross flux distribution in two region core (5) Control rod worth. Experimental results were compared with theoretical ones calculated by METHUSELAH II code. It is concluded from this study that calculation by METHUSELAH II code has acceptable accuracy in the prediction on plutonium lattice. (author)

An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy

International Nuclear Information System (INIS)

Owen, L.R.; Pickering, E.J.; Playford, H.Y.; Stone, H.J.; Tucker, M.G.; Jones, N.G.

2017-01-01

The formation of single phase solid solutions from combinations of multiple principal elements, with differing atomic radii, has led to the suggestion that the lattices of high-entropy alloys (HEAs) must be severely distorted. To assess this hypothesis, total scattering measurements using neutron radiation have been performed on the CrMnFeCoNi alloy and compared with similar data from five compositionally simpler materials within the same system. The Bragg diffraction patterns from all of the studied materials were similar, consistent with a face-centered cubic structure, and none showed the pronounced dampening that would be expected from a highly distorted lattice. A more detailed evaluation of the local lattice strain was made by considering the first six coordination shells in the pair distribution functions (PDF), obtained from the total scattering data. Across this range, the HEA exhibited the broadest PDF peaks but these widths were not disproportionately larger than those of the simpler alloys. In addition, of all the materials considered, the HEA was at the highest homologous temperature, and hence the thermal vibrations of the atoms would be greatest. Consequently, the level of local lattice strain required to rationalise a given PDF peak width would be reduced. As a result, the data presented in this study do not indicate that the local lattice strain in the equiatomic CrMnFeCoNi HEA is anomalously large.

Coefficient of crystal lattice matching as a parameter of substrate - crystal structure compatibility in silumins

Directory of Open Access Journals (Sweden)

J. Piątkowski

2009-07-01

Full Text Available Adding high-melting point elements (Mo, Nb, Ni, Ti, W to complex silumins results in hardening of the latter ones, owing to the formation of new intermetallic phases of the AlxMey type, with refinement of dendrites in α solution and crystals in β phase. The hardening is also due to the effect of various inoculants. An addition of the inoculant is expected to form substrates, the crystal lattice of which, or some (privileged lattice planes and interatomic spaces should bear a strong resemblance to the crystal nucleus. To verify this statement, using binary phase equilibria systems, the coefficient of crystal lattice matching, being one of the measures of the crystallographic similarity, was calculated. A compatibility of this parameter (up to 20% may decide about the structure compatibility between the substrate and crystal which, in turn, is responsible for the effectiveness of alloy modification. Investigations have proved that, given the temperature range of their formation, the density, the lattice type, and the lattice parameter, some intermetallic phases of the AlxMey type can act as substrates for the crystallisation of aluminium and silicon, and some of the silumin hardening phases.

On the topological structure of the vacuum in SU(2) and SU(3) lattice gauge theories

International Nuclear Information System (INIS)

Ishikawa, K.; Schierholz, G.; Schneider, H.; Teper, M.

1983-01-01

We present Monte Carlo measurements of the net topological charge of the vacuum in SU(2) and SU(3) lattice gauge theories. In both cases there is no evidence of any topological structure, and the values obtained are a factor of 0(100) smaller than expectations based on analyses of the U(1) problem. Moreover we find a strong sensitivity to the lattice size and to the boundary conditions imposed on the lattice. We comment on the physical significance of these results, establish criteria for the reliable performance of such calculations, and remark on the possibly detrimental impact of these findings on the calculation of hadron spectra

Electronic structure of disordered binary alloys with short range correlation in Bethe lattice

International Nuclear Information System (INIS)

Moreno, I.F.

1987-01-01

The determination of the electronic structure of a disordered material along the tight-binding model when applied to a Bethe lattice. The diagonal as well as off-diagonal disorder, are considered. The coordination number on the Bethe is fixed lattice to four (Z=4) that occurs in most compound semiconductors. The main proposal was to study the conditions under which a relatively simple model of a disordered material, i.e, a binary alloy, could account for the basic properties of transport or more specifically for the electronic states in such systems. By using a parametrization of the pair probability the behaviour of the electronic density of states (DOS) for different values of the short range order parameter, σ, which makes possible to treat the segregated, random and alternating cases, was analysed. In solving the problem via the Green function technique in the Wannier representation a linear chain of atoms was considered and using the solution of such a 1-D system the problem of the Bethe lattice which is constructed using such renormalized chains as elements, was solved. The results indicate that the obtained DOS are strongly dependent on the correlation assumed for the occupancy in the lattice. (author) [pt

The Developement of A Lattice Structured Database

DEFF Research Database (Denmark)

Bruun, Hans

In this project we have investigated the possibilities to make a system based on the concept algebra described in [3], [4] and [5]. The concept algebra is used for ontology specification and knowledge representation. It is a distributive lattice extended with attribution operations. One of the main...... ideas in this work is to use Birkhoff's representation theorem, so we represent distributive lattices using its dual representation: the partial order of join irreducibles. We show how to construct a concept algebra satisfying a given set of equations. The universal/initial algebra is usually too big...

Local Structure of Mn in (La1-xHox)2/3Ca1/3MnO3 Studied by X-ray Absorption Fine Structure

International Nuclear Information System (INIS)

Pietnoczka, A.; Bacewicz, R.; Antonowicz, J.; Zalewski, W.; Pekala, M.; Drozd, V.; Fagnard, J.F.; Vanderbemden, P.

2010-01-01

Results of X-ray absorption fine structure measurements in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 with 0.15 3 is doped with a divalent element such as Ca 2+ , substituting for La 3+ , holes are induced in the filled Mn d orbitals. This leads to a strong ferromagnetic coupling between Mn sites. Ca ions in La 1-x Ca x MnO 3 introduce a distortion of the crystal lattice and mixed valence Mn ions (Mn 3+ and Mn 4+ ). On the other hand, in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 the substitution of La for Ho causes a lattice distortion and induces a disorder, which reduces a magnetic interaction. The ferromagnetic transition temperature and conductivity decrease very quickly with increasing x. The magnetic and transport properties of compounds depend on the local atomic structure around Mn ions. The information on the bond lengths and Debye-Waller factor are obtained from the extended X-ray absorption fine structure (EXAFS) data analysis. The charge state of Mn is determined from the position of the absorption edge in X-ray absorption near edge structure (XANES) data. XAFS results are in good agreement with magnetic characteristics of the studied materials. (authors)

Lattice theory for nonspecialists

International Nuclear Information System (INIS)

Hari Dass, N.D.

1984-01-01

These lectures were delivered as part of the academic training programme at the NIKHEF-H. These lectures were intended primarily for experimentalists, and theorists not specializing in lattice methods. The goal was to present the essential spirit behind the lattice approach and consequently the author has concentrated mostly on issues of principle rather than on presenting a large amount of detail. In particular, the author emphasizes the deep theoretical infra-structure that has made lattice studies meaningful. At the same time, he has avoided the use of heavy formalisms as they tend to obscure the basic issues for people trying to approach this subject for the first time. The essential ideas are illustrated with elementary soluble examples not involving complicated mathematics. The following subjects are discussed: three ways of solving the harmonic oscillator problem; latticization; gauge fields on a lattice; QCD observables; how to solve lattice theories. (Auth.)

Experimental and theoretical investigation of lattice defect structures in a series of Zn, Fe-doped nonstoichiometric lithium niobate

International Nuclear Information System (INIS)

Guo Fengyun; Lue Qiang; Sun Liang; Li Hongtao; Zhen Xihe; Xu Yuheng; Zhao Liancheng

2006-01-01

A series of the double doped lithium niobate (LiNbO 3 , LN) single crystals had been grown by Czochralski method. The Curie temperatures of various concentrations doped or [Li]/[Nb] ratio LN crystals measured by differential thermal analysis (DTA) were discussed to investigate their defect structures with Safaryan et al. new approach about LN lattice defect structure using Curie temperatures calculated. Infrared transmission spectra of various concentrations doped were used to compare the investigation above. The results show that the lithium vacancy model is the more probable to describe the lattice defect structure of the doped LN single crystal

Structural changes induced by lattice-electron interactions: SiO2 stishovite and FeTiO3 ilmenite.

Science.gov (United States)

Yamanaka, Takamitsu

2005-09-01

The bright source and highly collimated beam of synchrotron radiation offers many advantages for single-crystal structure analysis under non-ambient conditions. The structure changes induced by the lattice-electron interaction under high pressure have been investigated using a diamond anvil pressure cell. The pressure dependence of electron density distributions around atoms is elucidated by a single-crystal diffraction study using deformation electron density analysis and the maximum entropy method. In order to understand the bonding electrons under pressure, diffraction intensity measurements of FeTiO3 ilmenite and gamma-SiO2 stishovite single crystals at high pressures were made using synchrotron radiation. Both diffraction studies describe the electron density distribution including bonding electrons and provide the effective charge of the cations. In both cases the valence electrons are more localized around the cations with increasing pressure. This is consistent with molecular orbital calculations, proving that the bonding electron density becomes smaller with pressure. The thermal displacement parameters of both samples are reduced with increasing pressure.

Lattice investigation of nucleon structure at light quark masses

International Nuclear Information System (INIS)

Zanotti, James M.

2010-01-01

Lattice simulations of hadronic structure are now reaching a level where they are able to not only complement, but also provide guidance to current and forthcoming experimental programmes at, e.g. Jefferson Lab, COMPASS/CERN and FAIR/GSI. By considering new simulations at low quark masses and on large volumes, we review the recent progress that has been made in this exciting area by the QCDSF/UKQCD collaboration. In particular, results obtained close to the physical point for several quantities, including electromagnetic form factors and moments of ordinary parton distribution functions, show some indication of approaching their phenomenological values.

Surface and local electronic structure modification of MgO film using Zn and Fe ion implantation

Science.gov (United States)

Singh, Jitendra Pal; Lim, Weon Cheol; Lee, Jihye; Song, Jonghan; Lee, Ik-Jae; Chae, Keun Hwa

2018-02-01

Present work is motivated to investigate the surface and local electronic structure modifications of MgO films implanted with Zn and Fe ions. MgO film was deposited using radio frequency sputtering method. Atomic force microscopy measurements exhibit morphological changes associated with implantation. Implantation of Fe and Zn ions leads to the reduction of co-ordination geometry of Mg2+ ions in host lattice. The effect is dominant at bulk of film rather than surface as the large concentration of implanted ions resides inside bulk. Moreover, the evidences of interaction among implanted ions and oxygen are not being observed using near edge fine structure measurements.

Dirac cones in isogonal hexagonal metallic structures

Science.gov (United States)

Wang, Kang

2018-03-01

A honeycomb hexagonal metallic lattice is equivalent to a triangular atomic one and cannot create Dirac cones in its electromagnetic wave spectrum. We study in this work the low-frequency electromagnetic band structures in isogonal hexagonal metallic lattices that are directly related to the honeycomb one and show that such structures can create Dirac cones. The band formation can be described by a tight-binding model that allows investigating, in terms of correlations between local resonance modes, the condition for the Dirac cones and the consequence of the third structure tile sustaining an extra resonance mode in the unit cell that induces band shifts and thus nonlinear deformation of the Dirac cones following the wave vectors departing from the Dirac points. We show further that, under structure deformation, the deformations of the Dirac cones result from two different correlation mechanisms, both reinforced by the lattice's metallic nature, which directly affects the resonance mode correlations. The isogonal structures provide new degrees of freedom for tuning the Dirac cones, allowing adjustment of the cone shape by modulating the structure tiles at the local scale without modifying the lattice periodicity and symmetry.

Chemical composition, crystal size and lattice structural changes after incorporation of strontium into biomimetic apatite.

Science.gov (United States)

Li, Z Y; Lam, W M; Yang, C; Xu, B; Ni, G X; Abbah, S A; Cheung, K M C; Luk, K D K; Lu, W W

2007-03-01

Recently, strontium (Sr) as ranelate compound has become increasingly popular in the treatment of osteoporosis. However, the lattice structure of bone crystal after Sr incorporation is yet to be extensively reported. In this study, we synthesized strontium-substituted hydroxyapatite (Sr-HA) with different Sr content (0.3%, 1.5% and 15% Sr-HA in mole ratio) to simulate bone crystals incorporated with Sr. The changes in chemical composition and lattice structure of apetite after synthetic incorporation of Sr were evaluated to gain insight into bone crystal changes after incorporation of Sr. X-ray diffraction (XRD) patterns revealed that 0.3% and 1.5% Sr-HA exhibited single phase spectrum, which was similar to that of HA. However, 15% Sr-HA induced the incorporation of HPO4(2-) and more CO3(2-), the crystallinity reduced dramatically. Transmission electron microscopy (TEM) images showed that the crystal length and width of 0.3% and 1.5% Sr-HA increased slightly. Meanwhile, the length and width distribution were broadened and the aspect ratio decreased from 10.68+/-4.00 to 7.28+/-2.80. The crystal size and crystallinity of 15% Sr-HA dropped rapidly, which may suggest that the fundamental crystal structure is changed. The findings from this work indicate that current clinical dosage which usually results in Sr incorporation of below 1.5% may not change chemical composition and lattice structure of bone, while it will broaden the bone crystal size distribution and strengthen the bone.

Lattice QCD on fine lattices

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.

Lattice dynamics of local defects in wide-gap semiconductors; Schwingungsverhalten lokaler Defekte in Breitband-Halbleitern

Energy Technology Data Exchange (ETDEWEB)

Kaczmarczyk, G.

2006-07-01

The group III-nitrides and zinc oxide are in the focus of material research because of their high application potential. The presentation of the first UV laser diode as well as blue light emitting diodes were the preliminary highlights. Although of all technological progress many physical questions are still open. In this work some of these questions are examined experimentally with Raman-scattering and theoretically with valence-force calculations. Many physical properties such as strain and doping concentration affect the lattice dynamics. As a start the phonons of the center of the Brillouin-zone in GaN, AlN, InN and ZnO are studied with first-order Raman-scattering. These results are the basis for advanced investigations. The acoustical and optical modes at the zone boundary and their combinations and overtones are determinated from the second-order Raman-scattering. Using the valence-force calculations the experimental frequencies are assigned to particular phonon branches or points of the Brillouin zone. The second part of this work treats systematically the physics of local vibrational modes. They occur due to intrinsic defects or impurities in the semiconductors. They are investigated with respect to the vibrational properties of the unperturbed crystals. In order to assign new experimentally found structures, calculations of local vibrational modes in GaN:Mg, GaN:As and ZnO:N systems were carried out. Furthermore, the calculations in Si- and C-doped hexagonal GaN suggest the frequency range for local vibrational modes. In the last section the influence of external parameters such as temperature or strain on the phonon frequency is analyzed. It is shown, that the influence on the temperature dependence of host phonons and local vibrational modes are dominated through different effects. In case of the host phonons it is mainly due to the volume effect whereas the local modes are highly affected by the anharmonic decay. Moreover, the calculations verified

Phase structure of lattice gauge theories for non-abelian subgroups of SU(3)

International Nuclear Information System (INIS)

Grosse, H.; Kuehnelt, H.

1981-01-01

The authors study the phase structure of Euclidean lattice gauge theories in four dimensions for certain non-abelian subgroups of SU(3) by using Monte-Carlo simulations and strong coupling expansions. As the order of the group increases a splitting of one phase transition into two is observed. (Auth.)

Measurement of deforming mode of lattice truss structures under impact loading

Directory of Open Access Journals (Sweden)

Zhao H.

2012-08-01

Full Text Available Lattice truss structures, which are used as a core material in sandwich panels, were widely investigated experimentally and theoretically. However, explanation of the deforming mechanism using reliable experimental results is almost rarely reported, particularly for the dynamic deforming mechanism. The present work aimed at the measurement of the deforming mode of lattice truss structures. Indeed, quasi-static and Split Hopkinson Pressure Bar (SHPB tests have been performed on the tetrahedral truss cores structures made of Aluminum 3003-O. Global values such as crushing forces and displacements between the loading platens are obtained. However, in order to understand the deforming mechanism and to explain the observed impact strength enhancement observed in the experiments, images of the truss core element during the tests are recorded. A method based on the edge detection algorithm is developed and applied to these images. The deforming profiles of one beam are extracted and it allows for calculating the length of beam. It is found that these lengths diminish to a critical value (due to compression and remain constant afterwards (because of significant bending. The comparison between quasi-static and impact tests shows that the beam were much more compressed under impact loading, which could be understood as the lateral inertia effect in dynamic bucking. Therefore, the impact strength enhancement of tetrahedral truss core sandwich panel can be explained by the delayed buckling of beam under impact (more compression reached, together with the strain hardening of base material.

Saddle-points of a two dimensional random lattice theory

International Nuclear Information System (INIS)

Pertermann, D.

1985-07-01

A two dimensional random lattice theory with a free massless scalar field is considered. We analyse the field theoretic generating functional for any given choice of positions of the lattice sites. Asking for saddle-points of this generating functional with respect to the positions we find the hexagonal lattice and a triangulated version of the hypercubic lattice as candidates. The investigation of the neighbourhood of a single lattice site yields triangulated rectangles and regular polygons extremizing the above generating functional on the local level. (author)

New edge-centered photonic square lattices with flat bands

Science.gov (United States)

Zhang, Da; Zhang, Yiqi; Zhong, Hua; Li, Changbiao; Zhang, Zhaoyang; Zhang, Yanpeng; Belić, Milivoj R.

2017-07-01

We report a new class of edge-centered photonic square lattices with multiple flat bands, and consider in detail two examples: the Lieb-5 and Lieb-7 lattices. In these lattices, there are 5 and 7 sites in the unit cell and in general, the number is restricted to odd integers. The number of flat bands m in the new Lieb lattices is related to the number of sites N in the unit cell by a simple formula m =(N - 1) / 2. The flat bands reported here are independent of the pseudomagnetic field. The properties of lattices with even and odd number of flat bands are different. We consider the localization of light in such Lieb lattices. If the input beam excites the flat-band mode, it will not diffract during propagation, owing to the strong mode localization. In the Lieb-7 lattice, the beam will also oscillate during propagation and still not diffract. The period of oscillation is determined by the energy difference between the two flat bands. This study provides a new platform for investigating light trapping, photonic topological insulators, and pseudospin-mediated vortex generation.

Lattice constant measurement from electron backscatter diffraction patterns

DEFF Research Database (Denmark)

Saowadee, Nath; Agersted, Karsten; Bowen, Jacob R.

2017-01-01

Kikuchi bands in election backscattered diffraction patterns (EBSP) contain information about lattice constants of crystallographic samples that can be extracted via the Bragg equation. An advantage of lattice constant measurement from EBSPs over diffraction (XRD) is the ability to perform local ...

A production of non-strain spacing of lattice planes measurement equipment and a measurement of general structure material

International Nuclear Information System (INIS)

Minakawa, Nobuaki; Moriai, Atsushi; Morii, Yukio

2001-01-01

It is necessary to determine Δd/d in the internal stress measurement by the neutron diffraction method. Therefore, in case the non-strain spacing of lattice planes d 0 (hkl) is measured using bulk material, even though it does and attaches in a sample table length or every width and it is performing the diffraction measurement, it is difficult to determine for a true non-strain spacing of lattice planes by a processing strain, the grain-orientation, etc. It is available for the infinite thing spacing of lattice planes near non-strain condition to be measured by doing random rotation for bulk material in a beam center, and measuring an average spacing of lattice planes. Practical non-strain spacing of lattice planes measurement equipment was made, and the measurement was performed about much structure material. (author)

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

Energy Technology Data Exchange (ETDEWEB)

Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe; Reynaud, Stéphanie; Pigeon, Florent [Université de Lyon, CNRS, UMR5516, Laboratoire Hubert Curien, Université de Saint Etienne, Jean Monnet, F-42023 Saint-Etienne (France); Maurice, Claire; Quey, Romain [Ecole Nationale Supérieure des Mines de Saint-Etienne, CNRS, UMR5307, Laboratoire Georges Friedel, F-42023 Saint-Etienne (France)

2014-04-28

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

Statistical hydrodynamics of lattice-gas automata

OpenAIRE

Grosfils, Patrick; Boon, Jean-Pierre; Brito López, Ricardo; Ernst, M. H.

1993-01-01

We investigate the space and time behavior of spontaneous thermohydrodynamic fluctuations in a simple fluid modeled by a lattice-gas automaton and develop the statistical-mechanical theory of thermal lattice gases to compute the dynamical structure factor, i.e., the power spectrum of the density correlation function. A comparative analysis of the theoretical predictions with our lattice gas simulations is presented. The main results are (i) the spectral function of the lattice-gas fluctuation...

Origami lattices with free-form surface ornaments

NARCIS (Netherlands)

Janbaz, S.; Noordzij, N.; Widyaratih, Dwisetya Safirna; Hagen, C.W.; Fratila-Apachitei, E.L.; Zadpoor, A.A.

2017-01-01

Lattice structures are used in the design of metamaterials to achieve unusual physical, mechanical, or biological properties. The properties of such metamaterials result from the topology of the lattice structures, which are usually three-dimensionally (3D) printed. To incorporate advanced

Tunable multi-wavelength polymer laser based on a triangular-lattice photonic crystal structure

International Nuclear Information System (INIS)

Huang, Wenbin; Pu, Donglin; Qiao, Wen; Wan, Wenqiang; Liu, Yanhua; Ye, Yan; Wu, Shaolong; Chen, Linsen

2016-01-01

A continuously tunable multi-wavelength polymer laser based on a triangular-lattice photonic crystal cavity is demonstrated. The triangular-lattice resonator was initially fabricated through multiple interference exposure and was then replicated into a low refractive index polymer via UV-nanoimprinting. The blend of a blue-emitting conjugated polymer and a red-emitting one was used as the gain medium. Three periods in the scalene triangular-lattice structure yield stable tri-wavelength laser emission (625.5 nm, 617.4 nm and 614.3 nm) in six different directions. A uniformly aligned liquid crystal (LC) layer was incorporated into the cavity as the top cladding layer. Upon heating, the orientation of LC molecules and thus the effective refractive index of the lasing mode changes which continuously shifts the lasing wavelength. A maximum tuning range of 12.2 nm was observed for the lasing mode at 625.5 nm. This tunable tri-wavelength polymer laser is simple constructed and cost-effective. It may find application in the fields of biosensors and photonic integrated circuits. (paper)

Electronic properties of graphene antidot lattices

DEFF Research Database (Denmark)

Fürst, Joachim Alexander; Pedersen, Jesper Goor; Flindt, C.

2009-01-01

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...... 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...

DNA-linked NanoParticle Lattices with Diamond Symmetry: Stability, Shape and Optical Properties

Science.gov (United States)

Emamy, Hamed; Tkachenko, Alexei; Gang, Oleg; Starr, Francis

The linking of nanoparticles (NP) by DNA has been proven to be an effective means to create NP lattices with specific order. Lattices with diamond symmetry are predicted to offer novel photonic properties, but self-assembly of such lattices has proven to be challenging due to the low packing fraction, sensitivity to bond orientation, and local heterogeneity. Recently, we reported an approach to create diamond NP lattices based on the association between anisotropic particles with well-defined tetravalent DNA binding topology and isotropically functionalized NP. Here, we use molecular dynamics simulations to evaluate the Gibbs free energy of these lattices, and thereby determine the stability of these lattices as a function of NP size and DNA stiffness. We also predict the equilibrium shape for the cubic diamond crystallite using the Wulff construction method. Specifically, we predict the equilibrium shape using the surface energy for different crystallographic planes. We evaluate surface energy directly form molecular dynamics simulation, which we correlate with theoretical estimates from the expected number of broken DNA bonds along a facet. Furthermore we study the optical properties of this structure, e.g optical bandgap.

Lattice instabilities and structural phase transformations in La2CuO4 superconductors and insulators

International Nuclear Information System (INIS)

Axe, J.D.

1991-01-01

Soft-mode structural phase transformations, common in many perovskite-based materials, are also found in La 2 CuO 4 and structurally related oxides. The resulting phase behavior is rather complex, but is a natural consequence of the degeneracy of the soft phonon order parameters. This paper reviews the structural and lattice-dynamical results and their interpretation based upon mean-field statistical mechanical models

Low energy ring lattice of the PEP-II asymmetric B-Factory

International Nuclear Information System (INIS)

Cai, Y.; Donald, M.; Helm, R.; Irwin, J.; Nosochkov, Y.; Ritson, D.M.; Yan, Y.

1995-01-01

Developing a lattice that contains a very low beta value at the interaction point (IP) and has adequate dynamic aperture is one of the major challenges in designing the PEP-II asymmetric B-factory. For the Low Energy Ring (LER) the authors have studied several different chromatic correction schemes since the conceptual design report (CDR). Based on these studies, a hybrid solution with local and semi-local chromatic sextupoles has been selected as the new baseline lattice to replace the local scheme in the CDR. The new design simplifies the interaction region (IR) and reduces the number of sextupoles in the arcs. Arc sextupoles are paired at π phase difference and are not interleaved. In this paper the authors describe the baseline lattice with the emphasis on the lattice changes made since the CDR

Local structure distortion induced by Ti dopants boosting the pseudocapacitance of RuO2-based supercapacitors

Science.gov (United States)

Chen, I.-Li; Wei, Yu-Chen; Lu, Kueih-Tzu; Chen, Tsan-Yao; Hu, Chi-Chang; Chen, Jin-Ming

2015-09-01

Binary oxides with atomic ratios of Ru/Ti = 90/10, 70/30, and 50/50 were fabricated using H2O2-oxidative precipitation with the assistance of a cetyltrimethylammonium bromide (CTAB) template, followed by a thermal treatment at 200 °C. The characteristics of electron structure and local structure extracted from X-ray absorption spectroscopy (XAS) and transmission electron microscopy (TEM) analyses indicate that incorporation of Ti into the RuO2 lattice produces not only the local structural distortion of the RuO6 octahedra in (Ru-Ti)O2 with an increase in the central Ru-Ru distance but also a local crystallization of RuO2. Among the three binary oxides studied, (Ru70-Ti30)O2 exhibits a capacitance improvement of about 1.4-fold relative to the CTAB-modified RuO2, mainly due to the enhanced crystallinity of the distorted RuO6 structure rather than the surface area effect. Upon increasing the extent of Ti doping, the deteriorated supercapacitive performance of (Ru50-Ti50)O2 results from the formation of localized nano-clusters of TiO2 crystallites. These results provide insight into the important role of Ti doping in RuO2 that boosts the pseudocapacitive performance for RuO2-based supercapacitors. The present result is crucial for the design of new binary oxides for supercapacitor applications with extraordinary performance.Binary oxides with atomic ratios of Ru/Ti = 90/10, 70/30, and 50/50 were fabricated using H2O2-oxidative precipitation with the assistance of a cetyltrimethylammonium bromide (CTAB) template, followed by a thermal treatment at 200 °C. The characteristics of electron structure and local structure extracted from X-ray absorption spectroscopy (XAS) and transmission electron microscopy (TEM) analyses indicate that incorporation of Ti into the RuO2 lattice produces not only the local structural distortion of the RuO6 octahedra in (Ru-Ti)O2 with an increase in the central Ru-Ru distance but also a local crystallization of RuO2. Among the three binary

Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems.

Science.gov (United States)

Freed, Karl F

2009-02-14

A new extension of the lattice cluster theory is developed to describe the influence of monomer structure and local correlations on the free energy of strongly interacting and self-assembling polymer systems. This extension combines a systematic high dimension (1/d) and high temperature expansion (that is appropriate for weakly interacting systems) with a direct treatment of strong interactions. The general theory is illustrated for a binary polymer blend whose two components contain "sticky" donor and acceptor groups, respectively. The free energy is determined as an explicit function of the donor-acceptor contact probabilities that depend, in turn, on the local structure and both the strong and weak interactions.

Lattice vibrations in α-boron

International Nuclear Information System (INIS)

Richter, W.

1976-01-01

α-rhombohedral boron is the simplest boron modification, with only 12 atoms per unit cell. The boron atoms are arranged in B 12 icosahedra, which are centered at the lattice points of a primitive rhombohedral lattice. The icosahedra are slightly deformed, as the five-fold symmetry of the ideal icosahedron is incompatible with any crystal structure. The lattice dynamics of α-boron are discussed in terms of the model developed by Weber and Thorpe. (Auth.)

Local Chemical Ordering and Negative Thermal Expansion in PtNi Alloy Nanoparticles.

Science.gov (United States)

Li, Qiang; Zhu, He; Zheng, Lirong; Fan, Longlong; Wang, Na; Rong, Yangchun; Ren, Yang; Chen, Jun; Deng, Jinxia; Xing, Xianran

2017-12-13

An atomic insight into the local chemical ordering and lattice strain is particular interesting to recent emerging bimetallic nanocatalysts such as PtNi alloys. Here, we reported the atomic distribution, chemical environment, and lattice thermal evolution in full-scale structural description of PtNi alloy nanoparticles (NPs). The different segregation of elements in the well-faceted PtNi nanoparticles is convinced by extended X-ray absorption fine structure (EXAFS). Atomic pair distribution function (PDF) study evidences the coexistence of the face-centered cubic and tetragonal ordering parts in the local environment of PtNi nanoparticles. Further reverse Monte Carlo (RMC) simulation with PDF data obviously exposed the segregation as Ni and Pt in the centers of {111} and {001} facets, respectively. Layer-by-layer statistical analysis up to 6 nm for the local atomic pairs revealed the distribution of local tetragonal ordering on the surface. This local coordination environment facilitates the distribution of heteroatomic Pt-Ni pairs, which plays an important role in the negative thermal expansion of Pt 41 Ni 59 NPs. The present study on PtNi alloy NPs from local short-range coordination to long-range average lattice provides a new perspective on tailoring physical properties in nanomaterials.

Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.

Science.gov (United States)

Zakharov, Boris A; Michalchuk, Adam A L; Morrison, Carole A; Boldyreva, Elena V

2018-03-28

The thermosalient effect (crystal jumping on heating) attracts much attention as both an intriguing academic phenomenon and in relation to its potential for the development of molecular actuators but its mechanism remains unclear. 1,2,4,5-Tetrabromobenzene (TBB) is one of the most extensively studied thermosalient compounds that has been shown previously to undergo a phase transition on heating, accompanied by crystal jumping and cracking. The difference in the crystal structures and intermolecular interaction energies of the low- and high-temperature phases is, however, too small to account for the large stress that arises over the course of the transformation. The energy is released spontaneously, and crystals jump across distances that exceed the crystal size by orders of magnitude. In the present work, the anisotropy of lattice strain is followed across the phase transition by single-crystal X-ray diffraction, focusing on the structural evolution from 273 to 343 K. A pronounced lattice softening is observed close to the transition point, with the structure becoming more rigid immediately after the phase transition. The diffraction studies are further supported by theoretical analysis of pairwise intermolecular energies and zone-centre lattice vibrations. Only three modes are found to monotonically soften up to the phase transition, with complex behaviour exhibited by the remaining lattice modes. The thermosalient effect is delayed with respect to the structural transformation itself. This can originate from the martensitic mechanism of the transformation, and the accumulation of stress associated with vibrational switching across the phase transition. The finding of this study sheds more light on the nature of the thermosalient effect in 1,2,4,5-tetrabromobenzene and can be applicable also to other thermosalient compounds.

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...

Digital Morphing Wing: Active Wing Shaping Concept Using Composite Lattice-Based Cellular Structures.

Science.gov (United States)

Jenett, Benjamin; Calisch, Sam; Cellucci, Daniel; Cramer, Nick; Gershenfeld, Neil; Swei, Sean; Cheung, Kenneth C

2017-03-01

We describe an approach for the discrete and reversible assembly of tunable and actively deformable structures using modular building block parts for robotic applications. The primary technical challenge addressed by this work is the use of this method to design and fabricate low density, highly compliant robotic structures with spatially tuned stiffness. This approach offers a number of potential advantages over more conventional methods for constructing compliant robots. The discrete assembly reduces manufacturing complexity, as relatively simple parts can be batch-produced and joined to make complex structures. Global mechanical properties can be tuned based on sub-part ordering and geometry, because local stiffness and density can be independently set to a wide range of values and varied spatially. The structure's intrinsic modularity can significantly simplify analysis and simulation. Simple analytical models for the behavior of each building block type can be calibrated with empirical testing and synthesized into a highly accurate and computationally efficient model of the full compliant system. As a case study, we describe a modular and reversibly assembled wing that performs continuous span-wise twist deformation. It exhibits high performance aerodynamic characteristics, is lightweight and simple to fabricate and repair. The wing is constructed from discrete lattice elements, wherein the geometric and mechanical attributes of the building blocks determine the global mechanical properties of the wing. We describe the mechanical design and structural performance of the digital morphing wing, including their relationship to wind tunnel tests that suggest the ability to increase roll efficiency compared to a conventional rigid aileron system. We focus here on describing the approach to design, modeling, and construction as a generalizable approach for robotics that require very lightweight, tunable, and actively deformable structures.

Polarized Raman study on the lattice structure of BiFeO3 films prepared by pulsed laser deposition

KAUST Repository

Yang, Yang

2014-11-01

Polarized Raman spectroscopy was used to study the lattice structure of BiFeO3 films on different substrates prepared by pulsed laser deposition. Interestingly, the Raman spectra of BiFeO3 films exhibit distinct polarization dependences. The symmetries of the fundamental Raman modes in 50-700 cm-1 were identified based on group theory. The symmetries of the high order Raman modes in 900-1500 cm-1 of BiFeO3 are determined for the first time, which can provide strong clarifications to the symmetry of the fundamental peaks in 400-700 cm-1 in return. Moreover, the lattice structures of BiFeO3 films are identified consequently on the basis of Raman spectroscopy. BiFeO3 films on SrRuO3 coated SrTiO3 (0 0 1) substrate, CaRuO3 coated SrTiO3 (0 0 1) substrate and tin-doped indium oxide substrate are found to be in the rhombohedral structure, while BiFeO3 film on SrRuO3 coated Nb: SrTiO3 (0 0 1) substrate is in the monoclinic structure. Our results suggest that polarized Raman spectroscopy would be a feasible tool to study the lattice structure of BiFeO3 films.

Localization of the antimony impurity atoms in the PbTe lattice determined by the Moessbauer emission spectroscopy

International Nuclear Information System (INIS)

Masterov, V.F.; Nasredinov, F.S.; Nemov, S.A.; Seregin, P.P.; Troitskaya, N.N.; Bondarevskij, S.I.

1997-01-01

The 119 Sb ( 119m Sn) emission Moessbauer spectroscopy has shown that a localization of the antimony impurity atoms in the PbTe lattice is affected by the conductivity type of the host material, the antimony atoms occupied mainly anion and cation sites in n-type and p-type samples, respectively. The 119 Sn impurity in the anion sublattice of PbTe formed an decay. Its charge state was shown to be independent of the Fermi level position

Transmission Electron Microscope Measures Lattice Parameters

Science.gov (United States)

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.

Localized and periodic exact solutions to the nonlinear Schroedinger equation with spatially modulated parameters: Linear and nonlinear lattices

International Nuclear Information System (INIS)

Belmonte-Beitia, Juan; Konotop, Vladimir V.; Perez-Garcia, Victor M.; Vekslerchik, Vadym E.

2009-01-01

Using similarity transformations we construct explicit solutions of the nonlinear Schroedinger equation with linear and nonlinear periodic potentials. We present explicit forms of spatially localized and periodic solutions, and study their properties. We put our results in the framework of the exploited perturbation techniques and discuss their implications on the properties of associated linear periodic potentials and on the possibilities of stabilization of gap solitons using polychromatic lattices.

The renormalization group study of the effective theory of lattice QED

International Nuclear Information System (INIS)

Sugiyama, Y.

1988-01-01

The compact U(1) lattice gauge theory with massless fermions (Lattice QED) is studied through the effective model analytically, using the renormalization group method. The obtained effective model is the local boson field system with non-local interactions. The authors study the existence of non-trivial fixed point and its scaling behavior. This fixed point seems to be tri-critical. Such fixed point is interpreted in terms of the original Lattice QED model, and the results are consistent with the Monte Calro study

Vortex structure in abelian-projected lattice gauge theory

International Nuclear Information System (INIS)

Ambjoern, J.; Giedt, J.; Greensite, J.

2000-01-01

We report on a breakdown of both monopole dominance and positivity in abelian-projected lattice Yang-Mills theory. The breakdown is associated with observables involving two units of the abelian charge. We find that the projected lattice has at most a global Z 2 symmetry in the confined phase, rather than the global U(1) symmetry that might be expected in a dual superconductor or monopole Coulomb gas picture. Implications for monopole and center vortex theories of confinement are discussed

Permutohedral Lattice CNNs

OpenAIRE

Kiefel, Martin; Jampani, Varun; Gehler, Peter V.

2014-01-01

This paper presents a convolutional layer that is able to process sparse input features. As an example, for image recognition problems this allows an efficient filtering of signals that do not lie on a dense grid (like pixel position), but of more general features (such as color values). The presented algorithm makes use of the permutohedral lattice data structure. The permutohedral lattice was introduced to efficiently implement a bilateral filter, a commonly used image processing operation....

Lattice specific heat and local density of states of Ni-based dilute ...

Indian Academy of Sciences (India)

The required perfect lattice phonons of Ni are calculated using a general 4 Th neighbour force model derived by Birge- neau et al [14], on the basis of Born Von Karman fit to the measured dispersion curves in neutron scattering experiments. A comparison of calculated and experi- mental lattice specific heat provides us an ...

Distribution of local magnetic field of vortex lattice near anisotropic superconductor surface in inclined external fields

International Nuclear Information System (INIS)

Efremova, S.A.; Tsarevskij, S.L.

1997-01-01

Magnetic field distribution in a unit cell of the Abrikosov vortex lattice near the surface of monoaxial anisotropic type-ii superconductors in inclined external magnetic field has been found in the framework of London model for the cases when the symmetry axis is perpendicular and parallel to the superconductor surface interface. Distribution of local magnetic field as a function of the distance from the superconductor interface surface and external field inclination angle has been obtained. Using high-Tc superconductor Y-Ba-Cu-O by way of examples, it has been shown that the study of local magnetic field distribution function, depending on external magnetic field inclination angle towards the superconductor symmetry axis and towards the superconductor surface, can provide important data on anisotropic properties of the superconductor [ru

Remarks on lattice gauge models

International Nuclear Information System (INIS)

Grosse, H.

1981-01-01

The author reports a study of the phase structure of lattice gauge models where one takes as a gauge group a non-abelian discrete subgroup of SU(3). In addition he comments on a lattice action proposed recently by Manton and observes that it violates a positivity property. (Auth.)

Lattice dynamics of a- Si3N4

International Nuclear Information System (INIS)

Schulz, P.A.B.; Silva, C.E.T.G. da

1984-01-01

We introduce a model for the lattice dynamics of SI 3 N 4 in its amorphous phase. This model is based on a Born hamiltonian, solved in the Bethe lattice approximation. We included the local vicinity until third nearest neighbours, building up the central cluster. (M.W.O.) [pt

A NOVEL APPROACH TO FIND OPTIMIZED NEUTRON ENERGY GROUP STRUCTURE IN MOX THERMAL LATTICES USING SWARM INTELLIGENCE

Directory of Open Access Journals (Sweden)

M. AKBARI

2013-12-01

Full Text Available Energy group structure has a significant effect on the results of multigroup transport calculations. It is known that UO2–PUO2 (MOX is a recently developed fuel which consumes recycled plutonium. For such fuel which contains various resonant nuclides, the selection of energy group structure is more crucial comparing to the UO2 fuels. In this paper, in order to improve the accuracy of the integral results in MOX thermal lattices calculated by WIMSD-5B code, a swarm intelligence method is employed to optimize the energy group structure of WIMS library. In this process, the NJOY code system is used to generate the 69 group cross sections of WIMS code for the specified energy structure. In addition, the multiplication factor and spectral indices are compared against the results of continuous energy MCNP-4C code for evaluating the energy group structure. Calculations performed in four different types of H2O moderated UO2–PuO2 (MOX lattices show that the optimized energy structure obtains more accurate results in comparison with the WIMS original structure.

Frustrated lattices of Ising chains

International Nuclear Information System (INIS)

Kudasov, Yurii B; Korshunov, Aleksei S; Pavlov, V N; Maslov, Dmitrii A

2012-01-01

The magnetic structure and magnetization dynamics of systems of plane frustrated Ising chain lattices are reviewed for three groups of compounds: Ca 3 Co 2 O 6 , CsCoCl 3 , and Sr 5 Rh 4 O 12 . The available experimental data are analyzed and compared in detail. It is shown that a high-temperature magnetic phase on a triangle lattice is normally and universally a partially disordered antiferromagnetic (PDA) structure. The diversity of low-temperature phases results from weak interactions that lift the degeneracy of a 2D antiferromagnetic Ising model on the triangle lattice. Mean-field models, Monte Carlo simulation results on the static magnetization curve, and results on slow magnetization dynamics obtained with Glauber's theory are discussed in detail. (reviews of topical problems)

Traveling waves and spreading speed on a lattice model with age structure

Directory of Open Access Journals (Sweden)

Zongyi Wang

2012-09-01

Full Text Available In this article, we study a lattice differential model for a single species with distributed age-structure in an infinite patchy environment. Using method of approaches by Diekmann and Thieme, we develop a comparison principle and construct a suitable sub-solution to the given model, and show that there exists a spreading speed of the system which in fact coincides with the minimal wave speed.

Non-Abelian vortex lattices

Science.gov (United States)

Tallarita, Gianni; Peterson, Adam

2018-04-01

We perform a numerical study of the phase diagram of the model proposed in [M. Shifman, Phys. Rev. D 87, 025025 (2013)., 10.1103/PhysRevD.87.025025], which is a simple model containing non-Abelian vortices. As per the case of Abrikosov vortices, we map out a region of parameter space in which the system prefers the formation of vortices in ordered lattice structures. These are generalizations of Abrikosov vortex lattices with extra orientational moduli in the vortex cores. At sufficiently large lattice spacing the low energy theory is described by a sum of C P (1 ) theories, each located on a vortex site. As the lattice spacing becomes smaller, when the self-interaction of the orientational field becomes relevant, only an overall rotation in internal space survives.

Remarks on lattice gauge models

International Nuclear Information System (INIS)

Grosse, H.

1981-01-01

The author reports on a study of the phase structure of lattice gauge models where one takes as a gauge group a non-abelian discrete subgroup of SU(3). In addition he comments on a lattice action proposed recently by Manton (1980) and observes that it violates a positivity property. (Auth.)

Structural Health Monitoring Based on Combined Structural Global and Local Frequencies

Directory of Open Access Journals (Sweden)

Jilin Hou

2014-01-01

Full Text Available This paper presents a parameter estimation method for Structural Health Monitoring based on the combined measured structural global frequencies and structural local frequencies. First, the global test is experimented to obtain the low order modes which can reflect the global information of the structure. Secondly, the mass is added on the member of structure to increase the local dynamic characteristic and to make the member have local primary frequency, which belongs to structural local frequency and is sensitive to local parameters. Then the parameters of the structure can be optimized accurately using the combined structural global frequencies and structural local frequencies. The effectiveness and accuracy of the proposed method are verified by the experiment of a space truss.

Bidirectional Fano Algorithm for Lattice Coded MIMO Channels

KAUST Repository

Al-Quwaiee, Hessa

2013-01-01

channel model. Channel codes based on lattices are preferred due to three facts: lattice codes have simple structure, the code can achieve the limits of the channel, and they can be decoded efficiently using lattice decoders which can be considered

Localization Spectroscopy of a Single Ion in an Optical Lattice

DEFF Research Database (Denmark)

Legrand, Olivier Philippe Alexandre

2015-01-01

The work reported in this thesis primarily focuses on studies of the dynamics of a single laser-cooled ion, simultaneously confined in the harmonic potential of a linear Paul trap and a rapidly varying periodic potential – a so-called optical lattice – generated from an optical standing-wave. Bes...... as a new tool for future cavity quantum electrodynamics experiments in the Ion trap group at Aarhus University.......-wave. Besides providing a better understanding of the dynamics of an ion subjected to varying trapping conditions, this work establishes a basis for future studies of various quantum many-body physics models, for manipulations of the structure of large ion Coulomb crystals, and for optimization...... of the interaction between light and matter in connection with quantum information experiments. In addition to the deep, three-dimensional harmonic potential of the linear Paul trap which confines the ion in regions of several millimeters, one of the directions of the ion motion is constrained by the application...

Experimental evidence for a chiral symmetry-breaking mechanism in aspartic acid: Lattice and sub-lattice matching

Science.gov (United States)

Teschke, Omar; Soares, David Mendez

2017-10-01

A mother crystal formed from a transient molecular structure of (D+L) aspartic acid in solution is reported. Hexagonal structures with a lattice constant of 1.04 nm were crystallized from a solution in which three aspartic acid species coexist: right- and left-handed enantiomorphs, denoted D-aspartic and L-aspartic, respectively, and transitory (D+L) aspartic acid specie. Atomic force microscopy images of the crystalline deposits reveal domains of the transitory (D+L) aspartic acid crystal forming the substrate deposit on silicon wafers, and on top of this hexagonal lattice only L-aspartic acid is observed to conform and crystallize. A preferential crystallization mechanism is then observed for (D+L) aspartic acid crystals that seed only L-aspartic deposits by the geometrical matching of their multiple hexagonal lattice structures with periodicities of 1.04 nm and 0.52 nm, respectively.

The local structure, magnetic, and transport properties of Cr-doped In2O3 films

International Nuclear Information System (INIS)

Wang Shiqi; An Yukai; Feng Deqiang; Liu Jiwen; Wu Zhonghua

2013-01-01

Cr-doped In 2 O 3 films were deposited on Si (100) substrates by RF-magnetron sputtering technique. The local structure, magnetic, and transport properties of films are investigated by X-ray diffraction, X-ray photoelectron spectroscopy, X-ray absorption fine structure, Hall effect, R-T, and magnetic measurements. Structural analysis clearly indicates that Cr ions substitute for In 3+ sites of the In 2 O 3 lattice in the valence of +2 states and Cr-related secondary phases or clusters as the source of ferromagnetism is safely ruled out. The films with low Cr concentration show a crossover from semiconducting to metallic transport behavior, whereas only semiconducting behavior is observed in high Cr concentration films. The transport property of all films is governed by Mott variable range hopping behavior, suggesting that the carriers are strongly localized. Magnetic characterizations show that the saturated magnetization of films increases first, and then decreases with Cr doping, while carrier concentration n c decreases monotonically, implying that the ferromagnetism is not directly induced by the mediated carriers. It can be concluded the ferromagnetism of films is intrinsic and originates from electrons bound in defect states associated with oxygen vacancies.

Anyonic order parameters for discrete gauge theories on the lattice

International Nuclear Information System (INIS)

Bais, F.A.; Romers, J.C.

2009-01-01

We present a new family of gauge invariant non-local order parameters Δ α A for (non-abelian) discrete gauge theories on a Euclidean lattice, which are in one-to-one correspondence with the excitation spectrum that follows from the representation theory of the quantum double D(H) of the finite group H. These combine magnetic flux-sector labeled by a conjugacy class with an electric representation of the centralizer subgroup that commutes with the flux. In particular, cases like the trivial class for magnetic flux, or the trivial irrep for electric charge, these order parameters reduce to the familiar Wilson and the 't Hooft operators, respectively. It is pointed out that these novel operators are crucial for probing the phase structure of a class of discrete lattice models we define, using Monte Carlo simulations.

Wave transmission in nonlinear lattices

International Nuclear Information System (INIS)

Hennig, D.; Tsironis, G.P.

1999-01-01

The interplay of nonlinearity with lattice discreteness leads to phenomena and propagation properties quite distinct from those appearing in continuous nonlinear systems. For a large variety of condensed matter and optics applications the continuous wave approximation is not appropriate. In the present review we discuss wave transmission properties in one dimensional nonlinear lattices. Our paradigmatic equations are discrete nonlinear Schroedinger equations and their study is done through a dynamical systems approach. We focus on stationary wave properties and utilize well known results from the theory of dynamical systems to investigate various aspects of wave transmission and wave localization. We analyze in detail the more general dynamical system corresponding to the equation that interpolates between the non-integrable discrete nonlinear Schroedinger equation and the integrable Albowitz-Ladik equation. We utilize this analysis in a nonlinear Kronig-Penney model and investigate transmission and band modification properties. We discuss the modifications that are effected through an electric field and the nonlinear Wannier-Stark localization effects that are induced. Several applications are described, such as polarons in one dimensional lattices, semiconductor superlattices and one dimensional nonlinear photonic band gap systems. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Lattice-Boltzmann Method with Dynamic Grid Refinement for Simulating Particle Deposition on a Single Fibre

Directory of Open Access Journals (Sweden)

Helmut Schomburg

2013-03-01

Full Text Available In this work a numerical approach to predict the deposition behaviour of nano-scale particles on the surface of a single fibre by resolving the resulting dendrite-like particle structures in detail is presented. The gas flow simulation is carried out by a two-dimensional Lattice-Boltzmann method, which is coupled with a Lagrangian approach for the particle motion. To decrease calculation time and system requirements the Lattice-Boltzmann model is extended to allow for local grid refinement. Because of the a priori unknown location of deposition, the simulation procedure starts on a coarse mesh which is then locally refined in a fully adaptive way in regions of accumulated particles. After each deposition the fluid flow is recalculated in order to resolve the coupling of the flow with the growing particle structures correctly. For the purpose of avoiding unphysical blocking of flow by growing particle dendrites the Lattice-Boltzmann method is extended to permeable cells in these regions using the Brinkmann equation. This extended deposition model is compared to simpler approaches, where the deposit has no retroaction on the flow or is treated as a solid structure. It is clear that the permeable model is most realistic and allows considering the particle deposition on a fibre as two-dimensional problem. Comprehensive simulations were conducted for analysing the importance of different parameters, i.e. free-stream velocity and particle diameter on the deposit structure. The results of this sensitivity analysis agree qualitatively well with former published numerical and experimental results. Finally the structure of the particle deposit was quantitatively characterised by using a modified fractal dimension.

Disorder in materials with complex crystal structures: the Non-Local Coherent Potential Approximation for compounds with multiple sublattices

International Nuclear Information System (INIS)

Marmodoro, A; Staunton, J B

2011-01-01

Over the last few years the Non-Local Coherent Potential Approximation (NL-CPA) has been shown to provide an effective way to describe the electronic structure and related properties of disordered systems, where short-range order (SRO) and other local environment effects are important. Here we present its generalization to materials with multi-atom per unit cell lattices. The method is described using a Green function formalism and illustrated by an implementation for a simplified one-dimensional tight-binding model with substitutional disorder. This development paves the way for a natural reimplementation of the Korringa-Kohn-Rostoker (KKR) multiple scattering solution of Kohn-Sham equations for ab-initio calculations of real materials.

Gluon structure function of a color dipole in the light-cone limit of lattice QCD

International Nuclear Information System (INIS)

Gruenewald, D.; Ilgenfritz, E.-M.; Pirner, H. J.

2009-01-01

We calculate the gluon structure function of a color dipole in near-light-cone SU(2) lattice QCD as a function of x B . The quark and antiquark are external nondynamical degrees of freedom which act as sources of the gluon string configuration defining the dipole. We compute the color dipole matrix element of transversal chromo-electric and chromo-magnetic field operators separated along a direction close to the light cone, the Fourier transform of which is the gluon structure function. As vacuum state in the pure glue sector, we use a variational ground state of the near-light-cone Hamiltonian. We derive a recursion relation for the gluon structure function on the lattice similar to the perturbative Dokshitzer-Gribov-Lipatov-Altarelli-Parisi equation. It depends on the number of transversal links assembling the Schwinger string of the dipole. Fixing the mean momentum fraction of the gluons to the 'experimental value' in a proton, we compare our gluon structure function for a dipole state with four links with the next-to-leading-order MRST 2002 and the CTEQ AB-0 parametrizations at Q 2 =1.5 GeV 2 . Within the systematic uncertainty we find rather good agreement. We also discuss the low x B behavior of the gluon structure function in our model calculation.

Lattice design in high-energy particle accelerators

CERN Document Server

Holzer, B J

2006-01-01

This lecture introduces storage-ring lattice desing. Applying the formalism that has been established in transverse beam optics, the basic principles of the development of a magnet lattice are explained and the characteristics of the resulting magnet structure are discussed. The periodic assembly of a storage ring cell with its boundary conditions concerning stability and scaling of the beam optics parameters is addressed as well as special lattice structures: drifts, mini beta insertions, dispersion suppressors, etc. In addition to the exact calculations indispensable for a rigorous treatment of the matter, scaling rules are shown and simple rules of thumb are included that enable the lattice designer to do the first estimates and get the basic numbers ‘on the back of an envelope’.

Synthesis of spatially variant lattices.

Science.gov (United States)

Rumpf, Raymond C; Pazos, Javier

2012-07-02

It is often desired to functionally grade and/or spatially vary a periodic structure like a photonic crystal or metamaterial, yet no general method for doing this has been offered in the literature. A straightforward procedure is described here that allows many properties of the lattice to be spatially varied at the same time while producing a final lattice that is still smooth and continuous. Properties include unit cell orientation, lattice spacing, fill fraction, and more. This adds many degrees of freedom to a design such as spatially varying the orientation to exploit directional phenomena. The method is not a coordinate transformation technique so it can more easily produce complicated and arbitrary spatial variance. To demonstrate, the algorithm is used to synthesize a spatially variant self-collimating photonic crystal to flow a Gaussian beam around a 90° bend. The performance of the structure was confirmed through simulation and it showed virtually no scattering around the bend that would have arisen if the lattice had defects or discontinuities.

Spin structures of S = 5/2 antiferromagnetic triangular lattices: AAg{sub 2}M[VO{sub 4}]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Moeller, Angela; Amuneke, Ngozi E.; Tapp, Joshua [Department of Chemistry and TcSUH, University of Houston (United States); Cruz, Clarina R. de la [Quantum Condensed Matter Division, ORNL, Oak Ridge (United States)

2015-07-01

The AAg{sub 2}M[VO{sub 4}]{sub 2} compounds present a unique series for studying structure-property relationships. The size of the A cation (Ba{sup 2+}, K{sup +}, Rb{sup +}, or Ag{sup +}) controls (i) the inter-layer distances between the magnetic triangular lattices (M, here Mn{sup 2+} or Fe{sup 3+}) and (ii) the distortion of the non-magnetic vanadate units. The crystal and magnetic structures were refined from neutron diffraction data under applied fields (ORNL, HB2A) and reveal the complex magnetic phase diagrams of frustrated S=5/2 triangular lattices with axial and XY-anisotropy, respectively.

Study of the influence of surface anisotropy and lattice structure on the behaviour of a small magnetic cluster

International Nuclear Information System (INIS)

Hernandez, Laura; Pinettes, Claire

2005-01-01

We have studied by Monte Carlo simulations the thermal behaviour of a small (N=13 particles) cluster described by a Heisenberg model, including nearest-neighbour ferromagnetic interactions and radial surface anisotropy, in an applied magnetic field. We have studied three different lattice structures: hexagonal close packed, face centered cubic and icosahedral. We show that the zero-field thermal behaviour depends not only on the value of the anisotropy constant but also on the lattice structure. The behaviour in an applied field, additionally depends, on the different orientations of the field with respect to the crystal axes. According to these relative orientations, hysteresis cycles show different step-like characteristics

Study of the influence of surface anisotropy and lattice structure on the behaviour of a small magnetic cluster

Energy Technology Data Exchange (ETDEWEB)

Hernandez, Laura [Laboratoire de Physique Theorique et Modelisation, CNRS-UMR 8089, Universite de Cergy-Pontoise, 5 mail Gay Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise, Cedex (France)]. E-mail: Laura.Hernandez@ptm.u-cergy.fr; Pinettes, Claire [Laboratoire de Physique Theorique et Modelisation, CNRS-UMR 8089, Universite de Cergy-Pontoise, 5 mail Gay Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise, Cedex (France)

2005-08-15

We have studied by Monte Carlo simulations the thermal behaviour of a small (N=13 particles) cluster described by a Heisenberg model, including nearest-neighbour ferromagnetic interactions and radial surface anisotropy, in an applied magnetic field. We have studied three different lattice structures: hexagonal close packed, face centered cubic and icosahedral. We show that the zero-field thermal behaviour depends not only on the value of the anisotropy constant but also on the lattice structure. The behaviour in an applied field, additionally depends, on the different orientations of the field with respect to the crystal axes. According to these relative orientations, hysteresis cycles show different step-like characteristics.

Linear independence of localized magnon states

International Nuclear Information System (INIS)

Schmidt, Heinz-Juergen; Richter, Johannes; Moessner, Roderich

2006-01-01

At the magnetic saturation field, certain frustrated lattices have a class of states known as 'localized multi-magnon states' as exact ground states. The number of these states scales exponentially with the number N of spins and hence they have a finite entropy also in the thermodynamic limit N → ∞ provided they are sufficiently linearly independent. In this paper, we present rigorous results concerning the linear dependence or independence of localized magnon states and investigate special examples. For large classes of spin lattices, including what we call the orthogonal type and the isolated type, as well as the kagome, the checkerboard and the star lattice, we have proven linear independence of all localized multi-magnon states. On the other hand, the pyrochlore lattice provides an example of a spin lattice having localized multi-magnon states with considerable linear dependence

Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

CERN Document Server

Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

2002-01-01

The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

Investigation of electronic lattice structure by positron annihilation in some insulators

International Nuclear Information System (INIS)

Coussot, Gerard

1970-01-01

The angular distribution of gamma quanta resulting from positron annihilation in single insulator crystals was measured with long slit geometry apparatus for intense positron sources ( 64 Cu ≅ 1 Ci). Two new phenomena were observed in the angular correlation curves. In the f. c. c. MgO, UO 2 , CaF 2 crystals, modulations appeared at angles corresponding to the limit of the first Brillouin zone in relation to the crystallographic direction studied. In SiO 2 , F 2 Mg, F 2 Mn crystals, a narrow peak at 0 mrad and a fine structure superimposed on the broad distribution, were resolved. The fine structure which is correlated with the narrow component is characterized by modulations appearing at angles corresponding to the projection of reciprocal lattice vectors along the crystallographic direction investigated. The narrow peak at p ≅ 0 suggests the formation of a bound state (positron-electron). If this bound state is described by a Bloch wave, the modulations observed correspond to the Fourier components which contribute to every reciprocal lattice vector p = G ('Umklapp' process). This model predicts that the 'Umklapp' process in polycrystals must produce a change in slope which can be experimentally observed. A systematic research of optimal observation conditions shows that the intensity of the narrow component is closely correlated with the purity and the perfection of the crystal where p-Ps is presumably formed as suggested by magnetic experiments. (author) [fr

Observation of Bloch oscillations in complex PT-symmetric photonic lattices

Science.gov (United States)

Wimmer, Martin; Miri, Mohammed-Ali; Christodoulides, Demetrios; Peschel, Ulf

2015-01-01

Light propagation in periodic environments is often associated with a number of interesting and potentially useful processes. If a crystalline optical potential is also linearly ramped, light can undergo periodic Bloch oscillations, a direct outcome of localized Wannier-Stark states and their equidistant eigenvalue spectrum. Even though these effects have been extensively explored in conservative settings, this is by no means the case in non-Hermitian photonic lattices encompassing both amplification and attenuation. Quite recently, Bloch oscillations have been predicted in parity-time-symmetric structures involving gain and loss in a balanced fashion. While in a complex bulk medium, one intuitively expects that light will typically follow the path of highest amplification, in a periodic system this behavior can be substantially altered by the underlying band structure. Here, we report the first experimental observation of Bloch oscillations in parity-time-symmetric mesh lattices. We show that these revivals exhibit unusual properties like secondary emissions and resonant restoration of PT symmetry. In addition, we present a versatile method for reconstructing the real and imaginary components of the band structure by directly monitoring the light evolution during a cycle of these oscillations. PMID:26639941

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

Science.gov (United States)

Bedoya-Martínez, Natalia; Schrode, Benedikt; Jones, Andrew O F; Salzillo, Tommaso; Ruzié, Christian; Demitri, Nicola; Geerts, Yves H; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland

2017-08-03

A combined experimental and theoretical approach, consisting of lattice phonon Raman spectroscopy and density functional theory (DFT) calculations, is proposed as a tool for lattice dynamics characterization and polymorph phase identification. To illustrate the reliability of the method, the lattice phonon Raman spectra of two polymorphs of the molecule 2,7-dioctyloxy[1]benzothieno[3,2-b]benzothiophene are investigated. We show that DFT calculations of the lattice vibrations based on the known crystal structures, including many-body dispersion van der Waals (MBD-vdW) corrections, predict experimental data within an accuracy of ≪5 cm -1 (≪0.6 meV). Due to the high accuracy of the simulations, they can be used to unambiguously identify different polymorphs and to characterize the nature of the lattice vibrations and their relationship to the structural properties. More generally, this work implies that DFT-MBD-vdW is a promising method to describe also other physical properties that depend on lattice dynamics like charge transport.

Structural and Optothermal Properties of Iron Ditelluride Layered Structures in the Framework of the Lattice Compatibility Theory

Directory of Open Access Journals (Sweden)

K. Ben Messaoud

2014-01-01

Full Text Available This study concerns structural and optothermal properties of iron ditelluride layered structures which were fabricated via a low-cost protocol. The main precursors were FeCl3 · 6H2O and Fe2O3. After a heat treatment within a tellurium-rich medium at various temperatures (470°C, 500°C, and 530°C during 24 h, classical analyses have been applied to the iron ditelluride layered structures. A good crystalline state with a preferential orientation of the crystallites along (111 direction has been recorded. Moreover, additional opto-thermal investigation and analyses within the framework of the Lattice Compatibility Theory gave plausible explanation for prompt temperature-dependent incorporation of tellurium element inside hematite elaborated matrices.

q Breathers in Finite Lattices: Nonlinearity and Weak Disorder

Science.gov (United States)

Ivanchenko, M. V.

2009-05-01

Nonlinearity and disorder are the recognized ingredients of the lattice vibrational dynamics, the factors that could be diminished, but never excluded. We generalize the concept of q breathers—periodic orbits in nonlinear lattices, exponentially localized in the linear mode space—to the case of weak disorder, taking the Fermi-Pasta-Ulan chain as an example. We show that these nonlinear vibrational modes remain exponentially localized near the central mode and stable, provided the disorder is sufficiently small. The instability threshold depends sensitively on a particular realization of disorder and can be modified by specifically designed impurities. Based on this sensitivity, an approach to controlling the energy flow between the modes is proposed. The relevance to other model lattices and experimental miniature arrays is discussed.

Lattice worldline representation of correlators in a background field

International Nuclear Information System (INIS)

Epelbaum, Thomas; Gelis, François; Wu, Bin

2015-01-01

We use a discrete worldline representation in order to study the continuum limit of the one-loop expectation value of dimension two and four local operators in a background field. We illustrate this technique in the case of a scalar field coupled to a non-Abelian background gauge field. The first two coefficients of the expansion in powers of the lattice spacing can be expressed as sums over random walks on a d-dimensional cubic lattice. Using combinatorial identities for the distribution of the areas of closed random walks on a lattice, these coefficients can be turned into simple integrals. Our results are valid for an anisotropic lattice, with arbitrary lattice spacings in each direction.

Lattices for the TRIUMF KAON factory

International Nuclear Information System (INIS)

Servranckx, R.V.; Craddock, M.K.

1989-09-01

Separated-function racetrack lattices have been developed for the KAON Factory accelerators that have more flexibility than the old circular lattices. The arcs of the large rings have a regular FODO structure with a superimposed six-fold symmetric modulation of the betafunction in order to raise γ t to infinity. Straight sections with zero dispersion are provided for rf cavities and fast injection and extraction, and with controlled dispersion for H - injection and slow extraction. For the small rings, sixfold symmetric circular lattices with high γ t are retained. In the Accumulator lattice, a straight section with double waist and controlled η function allows for H - injection and phase-space painting. The ion-optical properties of the lattices and the results from tracking studies are discussed

Phase diagram of the Shastry-Sutherland Kondo lattice model with classical localized spins: a variational calculation study

Science.gov (United States)

Shahzad, Munir; Sengupta, Pinaki

2017-08-01

We study the Shastry-Sutherland Kondo lattice model with additional Dzyaloshinskii-Moriya (DM) interactions, exploring the possible magnetic phases in its multi-dimensional parameter space. Treating the local moments as classical spins and using a variational ansatz, we identify the parameter ranges over which various common magnetic orderings are potentially stabilized. Our results reveal that the competing interactions result in a heightened susceptibility towards a wide range of spin configurations including longitudinal ferromagnetic and antiferromagnetic order, coplanar flux configurations and most interestingly, multiple non-coplanar configurations including a novel canted-flux state as the different Hamiltonian parameters like electron density, interaction strengths and degree of frustration are varied. The non-coplanar and non-collinear magnetic ordering of localized spins behave like emergent electromagnetic fields and drive unusual transport and electronic phenomena.

Lattice formulations of supersymmetric gauge theories with matter fields

International Nuclear Information System (INIS)

Joseph, Anosh

2014-12-01

Certain classes of supersymmetric gauge theories, including the well known N=4 supersymmetric Yang-Mills theory, that takes part in the AdS/CFT correspondence, can be formulated on a Euclidean spacetime lattice using the techniques of exact lattice supersymmetry. Great ideas such as topological field theories, Dirac-Kaehler fermions, geometric discretization all come together to create supersymmetric lattice theories that are gauge-invariant, doubler free, local and exact supersymmetric. We discuss the recent lattice constructions of supersymmetric Yang-Mills theories in two and three dimensions coupled to matter fields in various representations of the color group.

Towards structural controllability of local-world networks

International Nuclear Information System (INIS)

Sun, Shiwen; Ma, Yilin; Wu, Yafang; Wang, Li; Xia, Chengyi

2016-01-01

Controlling complex networks is of vital importance in science and engineering. Meanwhile, local-world effect is an important ingredient which should be taken into consideration in the complete description of real-world complex systems. In this letter, structural controllability of a class of local-world networks is investigated. Through extensive numerical simulations, firstly, effects of local world size M and network size N on structural controllability are examined. For local-world networks with sparse topological configuration, compared to network size, local-world size can induce stronger influence on controllability, however, for dense networks, controllability is greatly affected by network size and local-world effect can be neglected. Secondly, relationships between controllability and topological properties are analyzed. Lastly, the robustness of local-world networks under targeted attacks regarding structural controllability is discussed. These results can help to deepen the understanding of structural complexity and connectivity patterns of complex systems. - Highlights: • Structural controllability of a class of local-world networks is investigated. • For sparse local-world networks, compared to network size, local-world size can bring stronger influence on controllability. • For dense networks, controllability is greatly affected by network size and the effect of local-world size can be neglected. • Structural controllability against targeted node attacks is discussed.

Towards structural controllability of local-world networks

Energy Technology Data Exchange (ETDEWEB)

Sun, Shiwen, E-mail: sunsw80@126.com [Tianjin Key Laboratory of Intelligence Computing and Novel Software Technology, Tianjin University of Technology, Tianjin 300384 (China); Key Laboratory of Computer Vision and System (Tianjin University of Technology), Ministry of Education, Tianjin 300384 (China); Ma, Yilin; Wu, Yafang; Wang, Li; Xia, Chengyi [Tianjin Key Laboratory of Intelligence Computing and Novel Software Technology, Tianjin University of Technology, Tianjin 300384 (China); Key Laboratory of Computer Vision and System (Tianjin University of Technology), Ministry of Education, Tianjin 300384 (China)

2016-05-20

Controlling complex networks is of vital importance in science and engineering. Meanwhile, local-world effect is an important ingredient which should be taken into consideration in the complete description of real-world complex systems. In this letter, structural controllability of a class of local-world networks is investigated. Through extensive numerical simulations, firstly, effects of local world size M and network size N on structural controllability are examined. For local-world networks with sparse topological configuration, compared to network size, local-world size can induce stronger influence on controllability, however, for dense networks, controllability is greatly affected by network size and local-world effect can be neglected. Secondly, relationships between controllability and topological properties are analyzed. Lastly, the robustness of local-world networks under targeted attacks regarding structural controllability is discussed. These results can help to deepen the understanding of structural complexity and connectivity patterns of complex systems. - Highlights: • Structural controllability of a class of local-world networks is investigated. • For sparse local-world networks, compared to network size, local-world size can bring stronger influence on controllability. • For dense networks, controllability is greatly affected by network size and the effect of local-world size can be neglected. • Structural controllability against targeted node attacks is discussed.

Ground state structure of U2Mo: static and lattice dynamics study

International Nuclear Information System (INIS)

Mukherjee, D.; Sahoo, B.D.; Joshi, K.D.; Kaushik, T.C.

2016-01-01

According to experimental reports, the ground state stable structure of U 2 Mo is tetragonal. However, various theoretical studies performed in past do not get tetragonal phase as the stable structure at ambient conditions. Therefore, the ground state structure of U 2 Mo is still unresolved. In an attempt to understand the ground state properties of this system, we have carried out first principle electronic band structure calculations. The structural stability analysis carried out using evolutionary structure search algorithm in conjunction with ab-inito method shows that a hexagonal structure (space group P6/mmm) is the lowest enthalpy structure at ambient condition and remains stable upto 200 GPa. The elastic and lattice dynamical stability further supports the stability of this phase at ambient condition. Further, using the 0 K calculations in conjunction with finite temperature corrections, we have derived the isotherm and shock adiabat (Hugoniot) of this material. Various equilibrium properties such as ambient pressure volume, bulk modulus, pressure derivative of bulk modulus etc. are derived from equation of state. (author)

Compact lattice QED with Wilson fermions

International Nuclear Information System (INIS)

Hoferichter, A.

1994-08-01

We study the phase structure and the chiral limit of 4d compact lattice QED with Wilson fermions (both dynamical and quenched). We use the standard Wilson gauge action and also a modified one suppressing lattice artifacts. Different techniques and observables to locate the chiral limit are discussed. (orig.)

On the Wiener Polarity Index of Lattice Networks.

Science.gov (United States)

Chen, Lin; Li, Tao; Liu, Jinfeng; Shi, Yongtang; Wang, Hua

2016-01-01

Network structures are everywhere, including but not limited to applications in biological, physical and social sciences, information technology, and optimization. Network robustness is of crucial importance in all such applications. Research on this topic relies on finding a suitable measure and use this measure to quantify network robustness. A number of distance-based graph invariants, also known as topological indices, have recently been incorporated as descriptors of complex networks. Among them the Wiener type indices are the most well known and commonly used such descriptors. As one of the fundamental variants of the original Wiener index, the Wiener polarity index has been introduced for a long time and known to be related to the cluster coefficient of networks. In this paper, we consider the value of the Wiener polarity index of lattice networks, a common network structure known for its simplicity and symmetric structure. We first present a simple general formula for computing the Wiener polarity index of any graph. Using this formula, together with the symmetric and recursive topology of lattice networks, we provide explicit formulas of the Wiener polarity index of the square lattices, the hexagonal lattices, the triangular lattices, and the 33 ⋅ 42 lattices. We also comment on potential future research topics.

Discrete breathers in classical ferromagnetic lattices with easy-plane anisotropy

DEFF Research Database (Denmark)

Khalack, J. M.; Zolotaryuk, Yaroslav; Christiansen, Peter Leth

2003-01-01

Discrete breathers (nonlinear localized modes) have been shown to exist in various nonlinear Hamiltonian lattice systems. This paper is devoted to the investigation of a classical d-dimensional ferromagnetic lattice with easy plane anisotropy. Its dynamics is described via the Heisenberg model...

The coupled cluster theory of quantum lattice systems

International Nuclear Information System (INIS)

Bishop, R.; Xian, Yang

1994-01-01

The coupled cluster method is widely recognized nowadays as providing an ab initio method of great versatility, power, and accuracy for handling in a fully microscopic and systematic way the correlations between particles in quantum many-body systems. The number of successful applications made to date within both chemistry and physics is impressive. In this article, the authors review recent extensions of the method which now provide a unifying framework for also dealing with strongly interacting infinite quantum lattice systems described by a Hamiltonian. Such systems include both spin-lattice models (such as the anisotropic Heisenberg or XXZ model) exhibiting interesting magnetic properties, and electron lattice models (such as the tJ and Hubbard models), where the spins or fermions are localized on the sites of a regular lattice; as well as lattice gauge theories [such as the Abelian U(1) model of quantum electrodynamics and non-Abelian SU(n) models]. Illustrative results are given for both the XXZ spin lattice model and U(1) lattice gauge theory

DAFS study of local structure of ordered nanodomains in PbMg1/3Nb2/3O3

International Nuclear Information System (INIS)

Frenkel, A.I.; Robinson, I.K.; Robinson, I.K.; Adler, D.L.; Cross, J.O.

1998-01-01

We have performed a Diffraction Anomalous Fine Structure (DAFS) study of a single crystal of the relaxor ferroelectric PbMg 1/3 Nb 2/3 O 3 . DAFS measurements were performed at the Nb K edge on a half-order Bragg reflection originating from the 1:1 ordered nanodomains. DAFS data analysis provided us with the local structure around Nb atoms in the ordered nanodomains. The Nb-O distance in the ordered region was determined to be 0.052(10) Angstrom shorter than half the lattice parameter of the bulk crystal, in good agreement with one model of the ferroelectric phase transition broadening [JETP 84, 994 (1997)]. copyright 1998 American Institute of Physics

Fields on a random lattice

International Nuclear Information System (INIS)

Itzykson, C.

1983-10-01

We review the formulation of field theory and statistical mechanics on a Poissonian random lattice. Topics discussed include random geometry, the construction of field equations for arbitrary spin, the free field spectrum and the question of localization illustrated in the one dimensional case

On the effects of geometry, defects, and material asymmetry on the mechanical response of shape memory alloy cellular lattice structures

International Nuclear Information System (INIS)

Ravari, M R Karamooz; Kadkhodaei, M; Ghaei, A; Esfahani, S Nasr; Andani, M Taheri; Elahinia, M; Karaca, H

2016-01-01

Shape memory alloy (such as NiTi) cellular lattice structures are a new class of advanced materials with many potential applications. The cost of fabrication of these structures however is high. It is therefore necessary to develop modeling methods to predict the functional behavior of these alloys before fabrication. The main aim of the present study is to assess the effects of geometry, microstructural imperfections and material asymmetric response of dense shape memory alloys on the mechanical response of cellular structures. To this end, several cellular and dense NiTi samples are fabricated using a selective laser melting process. Both cellular and dense specimens were tested in compression in order to obtain their stress–strain response. For modeling purposes, a three -dimensional (3D) constitutive model based on microplane theory which is able to describe the material asymmetry was employed. Five finite element models based on unit cell and multi-cell methods were generated to predict the mechanical response of cellular lattices. The results show the considerable effects of the microstructural imperfections on the mechanical response of the cellular lattice structures. The asymmetric material response of the bulk material also affects the mechanical response of the corresponding cellular structure. (paper)

Investigating the topological structure of quenched lattice QCD with overlap fermions using a multi-probing approximation

Science.gov (United States)

Zou, You-Hao; Zhang, Jian-Bo; Xiong, Guang-Yi; Chen, Ying; Liu, Chuan; Liu, Yu-Bin; Ma, Jian-Ping

2017-10-01

The topological charge density and topological susceptibility are determined by a multi-probing approximation using overlap fermions in quenched SU(3) gauge theory. Then we investigate the topological structure of the quenched QCD vacuum, and compare it with results from the all-scale topological density. The results are consistent. Random permuted topological charge density is used to check whether these structures represent underlying ordered properties. The pseudoscalar glueball mass is extracted from the two-point correlation function of the topological charge density. We study 3 ensembles of different lattice spacing a with the same lattice volume 163×32. The results are compatible with the results of all-scale topological charge density, and the topological structures revealed by multi-probing are much closer to all-scale topological charge density than those from eigenmode expansion. Supported by National Natural Science Foundation of China (NSFC) (11335001, 11275169, 11075167), It is also supported in part by the DFG and the NSFC (11261130311) through funds provided to the Sino-German CRC 110 "Symmetries and the Emergence of Structure in QCD". This work was also funded in part by National Basic Research Program of China (973 Program) (2015CB856700)

Making sense of nanocrystal lattice fringes

International Nuclear Information System (INIS)

Fraundorf, P.; Qin Wentao; Moeck, Peter; Mandell, Eric

2005-01-01

The orientation dependence of thin-crystal lattice fringes can be gracefully quantified using fringe-visibility maps, a direct-space analog of Kikuchi maps [Nishikawa and Kikuchi, Nature (London) 121, 1019 (1928)]. As in navigation of reciprocal space with the aid of Kikuchi lines, fringe-visibility maps facilitate acquisition of crystallographic information from lattice images. In particular, these maps can help researchers to determine the three-dimensional lattice of individual nanocrystals, to 'fringe-fingerprint' collections of randomly oriented particles, and to measure local specimen thickness with only a modest tilt. Since the number of fringes in an image increases with maximum spatial-frequency squared, these strategies (with help from more precise goniometers) will be more useful as aberration correction moves resolutions into the subangstrom range

Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yanhui, E-mail: yanhui.z@hotmail.com [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials-Applied Materials Physics (IAM-AWP), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); High-performance Ceramics Division, Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016, Shenyang (China); Franke, Peter; Li, Dajian; Seifert, Hans Jürgen [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials-Applied Materials Physics (IAM-AWP), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2016-12-01

Reliable lattice stability of cubic AlN with rock-salt structure (rs-AlN) is the prerequisite of accurate thermodynamic modeling of cubic (M, Al)N solid solutions (M = Ti, Zr, Cr etc.). In order to derive the Gibbs energy of metastable rs-AlN, and then its lattice stability, we did the pressure-temperature (P-T) assessment of AlN phases by equations-of-state modeling. Meanwhile, the molar volumes and the heat capacities of wurtzite and rock-salt AlN, as well as the wurtzite-to-rock-salt structural transition at high P&T were successfully incorporated in CALPHAD-type database by integrating thermodynamic data from experiments and ab-initio calculations. These results promise subsequent investigations on phase stabilities and transitions of solid solutions with AlN component and the development of novel multicomponent coatings. - Highlights: • Phase stability investigation for novel multi-component metastable coatings. • Structural transition at high temperature and high pressure. • Integrating thermodynamic data from ab-initio calculations and experiments. • Thermal expansion, isothermal compressibility and heat capacity of w-AlN and rs-AlN.

Nucleon Structure on a Lattice at the Physical Point

International Nuclear Information System (INIS)

Syritsyn, Sergey

2015-01-01

We report initial nucleon structure results computed on lattices with 2+1 dynamical Mobius domain wall fermions at the physical point generated by the RBC and UKQCD collaborations. At this stage, we evaluate only connected quark contributions. In particular, we discuss the nucleon vector and axial-vector form factors, nucleon axial charge and the isovector quark momentum fraction. From currently available statistics, we estimate the stochastic accuracy of the determination of g A and 〈x〉 u-d to be around 10%, and we expect to reduce that to 5% within the next year. To reduce the computational cost of our calculations, we extensively use acceleration techniques such as low-eigenmode deflation and all-mode-averaging (AMA). We present a method for choosing optimal AMA parameters. (paper)

Influence of Boundary Conditions on the Simulation of a Diamond-Type Lattice Structure: A Preliminary Study

Directory of Open Access Journals (Sweden)

Patrick Terriault

2017-01-01

Full Text Available Emergent additive manufacturing processes allow the use of metallic porous structures in various industrial applications. Because these structures comprise a large number of ordered unit cells, their design using conventional modeling approaches, such as finite elements, becomes a real challenge. A homogenization technique, in which the lattice structure is simulated as a fully dense volume having equivalent material properties, can then be employed. To determine these equivalent material properties, numerical simulations can be performed on a single unit cell of the lattice structure. However, a critical aspect to consider is the boundary conditions applied to the external faces of the unit cell. In the literature, different types of boundary conditions are used, but a comparative study is definitely lacking. In this publication, a diamond-type unit cell is studied in compression by applying different boundary conditions. If the porous structure’s boundaries are free to deform, then the periodic boundary condition is found to be the most representative, but constraint equations must be introduced in the model. If, instead, the porous structure is inserted in a rigid enclosure, it is then better to use frictionless boundary conditions. These preliminary results remain to be validated for other types of unit cells loaded beyond the yield limit of the material.

Scattering theory for lattice phi4sub(D+1) theory

International Nuclear Information System (INIS)

Garczynski, W.

1983-01-01

Feynman rules are derived for a lattice version of the phi 4 sub(D+1) theory. The lattice values are transcribed, via a quasicontinual representation, into a continuous, non-local in spatial variables field theory, which is then quantized by the path integral method. (orig.)

An efficient Korringa-Kohn-Rostoker method for ''complex'' lattices

International Nuclear Information System (INIS)

Yussouff, M.; Zeller, R.

1980-10-01

We present a modification of the exact KKR-band structure method which uses (a) a new energy expansion for structure constants and (b) only the reciprocal lattice summation. It is quite efficient and particularly useful for 'complex' lattices. The band structure of hexagonal-close-packed Beryllium at symmetry points is presented as an example of this method. (author)

Comparing the results of lattice and off-lattice simulations for the melt of nonconcatenated rings

International Nuclear Information System (INIS)

Halverson, Jonathan D; Kremer, Kurt; Grosberg, Alexander Y

2013-01-01

To study the conformational properties of unknotted and nonconcatenated ring polymers in the melt, we present a detailed qualitative and quantitative comparison of simulation data obtained by molecular dynamics simulation using an off-lattice bead-spring model and by Monte Carlo simulation using a lattice model. We observe excellent, and sometimes even unexpectedly good, agreement between the off-lattice and lattice results for many quantities measured including the gyration radii of the ring polymers, gyration radii of their subchains, contact probabilities, surface characteristics, number of contacts between subchains, and the static structure factors of the rings and their subchains. These results are, in part, put in contrast to Moore curves, and the open, linear polymer counterparts. While our analysis is extensive, our understanding of the ring melt conformations is still rather preliminary. (paper)

LATTICE: The Lower ATmosphere-Thermosphere-Ionosphere Coupling Experiment

Science.gov (United States)

Mlynczak, M. G.; Yee, J. H.

2017-12-01

We present the Lower Atmosphere-Thermosphere-Ionosphere Coupling Experiment (LATTICE), which is a candidate mission for proposal to a future NASA Announcement of Opportunity. LATTICE will make the first consistent measurements of global kinetic temperature from the tropopause up to at least 160 km, along with global vector winds from 100 to 160 km at all local times. LATTICE thus provides, for the first time, a consistent picture of the coupling of the terrestrial lower atmosphere to the thermosphere-ionosphere system, which is a major scientific goal outlined in the 2012 Heliophysics Decadal Survey. The core instruments on LATTICE are the Terahertz Limb Sounder (TLS) and the Sounding of the Atmosphere using Broadband Emission Radiometry-II (SABER-II) instrument. The TLS instrument measures the 147 µm (2.04 THz) fine structure line of atomic oxygen. From these measurements TLS will provide kinetic temperature, atomic oxygen density, and vector wind from 100 to at least 160 km altitude. SABER-II is an infrared radiometer and is optically identical to the legacy SABER instrument on the current TIMED satellite. SABER-II is half the mass, half the power, and one-third the volume of the legacy instrument, and expects the same radiometric performance. SABER-II will again measure kinetic temperature from 15 to 110 km and will make measurements of key parameters in the thermosphere-ionosphere system including NO+, the green line and red line emissions, as well as continuing legacy measurements of ozone, water vapor, atomic oxygen, and atomic hydrogen in the mesosphere and lower thermosphere. We will describe the LATTICE mission in detail including other potential instruments for diagnosing thermospheric composition and high latitude energy inputs, and for measuring solar ultraviolet irradiance.

Temperature dependent electronic structure and magnetism of metallic systems with localized moments. Application on gadolinium; Temperaturabhaengige elektronische Struktur und Magnetismus von metallischen Systemen mit lokalisierten Momenten. Anwendung auf Gadolinium

Energy Technology Data Exchange (ETDEWEB)

Santos, C.A.M. dos

2005-06-24

This thesis focuses on the theoretical investigation of the temperature dependent electronic and magnetic properties of metallic 4f-systems with localized magnetic moments. The presented theory is based on the Kondo-lattice model, which describes the interaction between a system of 4f-localized magnetic moments and the itinerant conduction band electrons. This interaction is responsible for a remarkable temperature dependence of the electronic structure mainly induced by the subsystem of 4f-localized moments. The many-body problem provoked by the Kondo-lattice model is solved by using a moment conserving Green function technique, which takes care of several special limiting cases. This method reproduces the T=0-exact solvable limiting case of the ferromagnetically saturated semiconductor. The temperature dependent magnetic properties of the 4f-localized subsystem are evaluated by means of a modified Rudermann-Kittel-Kasuya-Yosida (RKKY) type procedure, which together with the solution of the electronic part allows for a self-consistent calculation of all the electronic and magnetic properties of the model. Results of model calculations allow to deduce the conditions for ferromagnetism in dependence of the electron density n, exchange coupling J and temperature T. The self-consistently calculated Curie temperature T{sub C} is presented and discussed in dependence of relevant parameters (J, n, and W) of the model. The second part of the thesis is concerned with the investigation of the temperature dependence of the electronic and magnetic properties of the rare-earth metal Gadolinium (Gd). The original Kondo-lattice model is extended to a multi-band Kondo-lattice model and combined with an ab-initio band structure calculation to take into account for the multi-bands in real systems. The single-particle energies of the model are taken from an augmented spherical wave (ASW) band structure calculation. The proposed method avoids the double counting of relevant

Quantum tunneling of Bose-Einstein condensates in optical lattices

CERN Document Server

Fan Wen Bin

2003-01-01

In quantum tunneling a particle with energy E can pass through a high potential barrier V(>E) due to the wave character of the particle. Bose-Einstein condensates can display very strong tunneling depending on the structure of the trap, which may be a double-well or optical lattices. The employed for the first time to our knowledge the periodic instanton method to investigate tunneling of Bose-Einstein condensates in optical lattices. The results show that there are two kinds of tunneling in this system, Landau-Zener tunneling between extended states of the system and Wannier-Stark tunneling between localized states of the system, and that the latter is 1000 times faster than the former. The also obtain the total decay rate for a wide range of temperature, including classical thermal activation, thermally assisted tunneling and quantum tunneling. The results agree with experimental data in references. Finally, the propose an experimental protocol to observe this new phenomenon in future experiments

Anomaly cancellation condition in abelian lattice gauge theories

International Nuclear Information System (INIS)

Suzuki, Hiroshi

1999-11-01

We analyze the general solution of the Wess-Zumino consistency condition in abelian lattice gauge theories, without taking the classical continuum limit. We find that, if the anomaly density is a local pseudo-scalar field on the lattice, the non-trivial anomaly is always proportional to the anomaly coefficient in the continuum theory. The possible extension of this result to non-abelian theories is briefly discussed. (author)

The electronic structure of the F-center in alkali-halides-The Bethe cluster - lattice

International Nuclear Information System (INIS)

Queiroz, S.L.A. de.

1977-07-01

The electronic structure of the F-center in alkali-halides with the NaCl structure has been studied using the Bethe Cluster lattice method. The central cluster has been taken as constituted by the vacancy and the nearest- and second-neighbors to it, respectively cations and anions. The optical transitions have been calculated and compared to experimental data on the location of the peak of the F-absorption band. The agreement obtained indicates that this method may be used to study properties of this defect in alkali halides. (Author) [pt

On the effect of the lattice asymmetry parameter on the phase structure of SU(N) pure gauge theories

International Nuclear Information System (INIS)

Averchenkova, L.A.; Petrov, K.V.; Petrov, V.K.; Zinovjev, G.M.

1998-01-01

The role of the lattice asymmetry parameter ξ in the phase structure description of the SU(2) and SU(3) gluodynamics at finite temperature has been studied analytically in the SU(N)∼Z(N) approach. The properties of thermodynamic quantities have been investigated near the physical border. The effective action which includes the first non-trivial order from the space-like part allows estimates to be made of the phase structure not only close to the physical border but in the whole area of couplings. We find that thermodynamic quantities depend on ξ and this dependence may be strong enough, up to discontinuity over this parameter for some of them. The Hamiltonian formulation of the SU(2) gauge theory on the asymmetric lattice is presented. (orig.)

Towards a lattice-matching solid-state battery: synthesis of a new class of lithium-ion conductors with the spinel structure.

Science.gov (United States)

Rosciano, Fabio; Pescarmona, Paolo P; Houthoofd, Kristof; Persoons, Andre; Bottke, Patrick; Wilkening, Martin

2013-04-28

Lithium ion batteries have conquered most of the portable electronics market and are now on the verge of deployment in large scale applications. To be competitive in the automotive and stationary sectors, however, they must be improved in the fields of safety and energy density (W h L(-1)). Solid-state batteries with a ceramic electrolyte offer the necessary advantages to significantly improve the current state-of-the-art technology. The major limit towards realizing a practical solid-state lithium-ion battery lies in the lack of viable ceramic ionic conductors. Only a few candidate materials are available, each carrying a difficult balance between advantages and drawbacks. Here we introduce a new class of possible solid-state lithium-ion conductors with the spinel structure. Such compounds could be coupled with spinel-type electrode materials to obtain a "lattice matching" solid device where low interfacial resistance could be achieved. Powders were prepared by wet chemistry, their structure was studied by means of diffraction techniques and magic angle spinning NMR, and Li(+) self-diffusion was estimated by static NMR line shape measurements. Profound differences in the Li(+) diffusion properties were observed depending on the composition, lithium content and cationic distribution. Local Li(+) hopping in the spinel materials is accompanied by a low activation energy of circa 0.35 eV being comparable with that of, e.g., LLZO-type garnets, which represent the current benchmark in this field. We propose these novel materials as a building block for a lattice-matching all-spinel solid-state battery with low interfacial resistance.

Local hydrodynamic characteristics of regular triangular lattice of rods

International Nuclear Information System (INIS)

Mantlik, F.; Hejna, J.; Cervenka, J.

1976-06-01

Results are presented of an experimental investigation of the friction factor, velocity fields and shear stress distribution around a wetted perimeter in a rod bundle of a triangular lattice with a pitch-to-diameter ratio of 1.17. Measurements were made on 19-rod aerodynamical model at the Reynolds number of 42 300 and 211 000. The results indicated a highly significant effect of secondary flow. (author)

Fermion doubling on a lattice and topological aspects of chiral anomaly

International Nuclear Information System (INIS)

Goswami, G.; Bandyopadhyay, P.

1997-01-01

The problem of fermion doubling on a lattice has been discussed here from the specific geometrical properties of a lattice structure and topological aspects of chiral anomaly. It is argued that there cannot be chiral anomaly on a lattice and as such there cannot be any conserved charge. This unveils the root cause of fermion doubling, and the unwanted fermions just reflect the geometrical properties of a lattice and may be viewed as to represent the open-quotes fictitiousclose quotes chiral spinors associated with the lattice structure which make chiral fermions anomaly free. copyright 1997 American Institute of Physics

Local structure of gallate proton conductors

International Nuclear Information System (INIS)

Giannici, F; Messana, D; Martorana, A; Longo, A; Sciortino, L

2009-01-01

Lanthanum barium gallate proton conductors are based on disconnected GaO 4 groups. The insertion of hydroxyls in the LaBaGaO 4 network proceeds through self-doping with Ba 2+ , consequent O 2- vacancy formation to fulfill charge neutrality. With a structural investigation on self-doped LaBaGaO 4 oxides using synchrotron XRD and EXAFS on the Ga K-edge, we find that: (a) the GaO 4 tetrahedra retain their size throughout the whole series; (b) the GaO 4 tetrahedra rotate as rigid bodies on hydration, leading to the formation of a network of shorter O-O configurations that are stabilized by hydrogen bonds; (c) contraction of the lattice occurs along the a unit cell axis, as a consequence of an overall structural rearrangement of the hydrated solid.

Local structure of gallate proton conductors

Science.gov (United States)

Giannici, F.; Messana, D.; Longo, A.; Sciortino, L.; Martorana, A.

2009-11-01

Lanthanum barium gallate proton conductors are based on disconnected GaO4 groups. The insertion of hydroxyls in the LaBaGaO4 network proceeds through self-doping with Ba2+, consequent O2- vacancy formation to fulfill charge neutrality. With a structural investigation on self-doped LaBaGaO4 oxides using synchrotron XRD and EXAFS on the Ga K-edge, we find that: (a) the GaO4 tetrahedra retain their size throughout the whole series; (b) the GaO4 tetrahedra rotate as rigid bodies on hydration, leading to the formation of a network of shorter O-O configurations that are stabilized by hydrogen bonds; (c) contraction of the lattice occurs along the a unit cell axis, as a consequence of an overall structural rearrangement of the hydrated solid.

Lattice gauge theory for QCD

International Nuclear Information System (INIS)

DeGrand, T.

1997-01-01

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 α s (M z ), and B-anti B mixing. 67 refs., 36 figs

On Traveling Waves in Lattices: The Case of Riccati Lattices

Science.gov (United States)

Dimitrova, Zlatinka

2012-09-01

The method of simplest equation is applied for analysis of a class of lattices described by differential-difference equations that admit traveling-wave solutions constructed on the basis of the solution of the Riccati equation. We denote such lattices as Riccati lattices. We search for Riccati lattices within two classes of lattices: generalized Lotka-Volterra lattices and generalized Holling lattices. We show that from the class of generalized Lotka-Volterra lattices only the Wadati lattice belongs to the class of Riccati lattices. Opposite to this many lattices from the Holling class are Riccati lattices. We construct exact traveling wave solutions on the basis of the solution of Riccati equation for three members of the class of generalized Holling lattices.

Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube

Science.gov (United States)

Sein, Lawrence T., Jr.; Sein, Sarajane E.

2015-01-01

A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall three-dimensional structure. Students and instructors can view the models in use on the popular…

Mechanical Properties of Optimized Diamond Lattice Structure for Bone Scaffolds Fabricated via Selective Laser Melting

Science.gov (United States)

Zhang, David Z.; Zhang, Peng; Zhao, Miao; Jafar, Salman

2018-01-01

Developments in selective laser melting (SLM) have enabled the fabrication of periodic cellular lattice structures characterized by suitable properties matching the bone tissue well and by fluid permeability from interconnected structures. These multifunctional performances are significantly affected by cell topology and constitutive properties of applied materials. In this respect, a diamond unit cell was designed in particular volume fractions corresponding to the host bone tissue and optimized with a smooth surface at nodes leading to fewer stress concentrations. There were 33 porous titanium samples with different volume fractions, from 1.28 to 18.6%, manufactured using SLM. All of them were performed under compressive load to determine the deformation and failure mechanisms, accompanied by an in-situ approach using digital image correlation (DIC) to reveal stress–strain evolution. The results showed that lattice structures manufactured by SLM exhibited comparable properties to those of trabecular bone, avoiding the effects of stress-shielding and increasing longevity of implants. The curvature of optimized surface can play a role in regulating the relationship between density and mechanical properties. Owing to the release of stress concentration from optimized surface, the failure mechanism of porous titanium has been changed from the pattern of bottom-up collapse by layer (or cell row) to that of the diagonal (45°) shear band, resulting in the significant enhancement of the structural strength. PMID:29510492

Mechanical Properties of Optimized Diamond Lattice Structure for Bone Scaffolds Fabricated via Selective Laser Melting.

Science.gov (United States)

Liu, Fei; Zhang, David Z; Zhang, Peng; Zhao, Miao; Jafar, Salman

2018-03-03

Developments in selective laser melting (SLM) have enabled the fabrication of periodic cellular lattice structures characterized by suitable properties matching the bone tissue well and by fluid permeability from interconnected structures. These multifunctional performances are significantly affected by cell topology and constitutive properties of applied materials. In this respect, a diamond unit cell was designed in particular volume fractions corresponding to the host bone tissue and optimized with a smooth surface at nodes leading to fewer stress concentrations. There were 33 porous titanium samples with different volume fractions, from 1.28 to 18.6%, manufactured using SLM. All of them were performed under compressive load to determine the deformation and failure mechanisms, accompanied by an in-situ approach using digital image correlation (DIC) to reveal stress-strain evolution. The results showed that lattice structures manufactured by SLM exhibited comparable properties to those of trabecular bone, avoiding the effects of stress-shielding and increasing longevity of implants. The curvature of optimized surface can play a role in regulating the relationship between density and mechanical properties. Owing to the release of stress concentration from optimized surface, the failure mechanism of porous titanium has been changed from the pattern of bottom-up collapse by layer (or cell row) to that of the diagonal (45°) shear band, resulting in the significant enhancement of the structural strength.

Lattice solitons in Bose-Einstein condensates

International Nuclear Information System (INIS)

Efremidis, Nikolaos K.; Christodoulides, Demetrios N.

2003-01-01

We systematically study the properties of lattice solitons in Bose-Einstein condensates with either attractive or repulsive atom interactions. This is done, by exactly solving the mean-field Gross-Pitaevskii equation in the presence of a periodic potential. We find new families of lattice soliton solutions that are characterized by the position of the energy eigenvalue within the associated band structure. These include lattice solitons in condensates with either attractive or repulsive atom interactions that exist in finite or semi-infinite gaps, as well as nonlinear modes that exhibit atomic population cutoffs

Lattice sigma models with exact supersymmetry

International Nuclear Information System (INIS)

Simon Catterall; Sofiane Ghadab

2004-01-01

We show how to construct lattice sigma models in one, two and four dimensions which exhibit an exact fermionic symmetry. These models are discretized and twisted versions of conventional supersymmetric sigma models with N=2 supersymmetry. The fermionic symmetry corresponds to a scalar BRST charge built from the original supercharges. The lattice theories possess local actions and exhibit no fermion doubling. In the two and four dimensional theories we show that these lattice theories are invariant under additional discrete symmetries. We argue that the presence of these exact symmetries ensures that no fine tuning is required to achieve N=2 supersymmetry in the continuum limit. As a concrete example we show preliminary numerical results from a simulation of the O(3) supersymmetric sigma model in two dimensions. (author)

LATTICE: an interactive lattice computer code

International Nuclear Information System (INIS)

Staples, J.

1976-10-01

LATTICE is a computer code which enables an interactive user to calculate the functions of a synchrotron lattice. This program satisfies the requirements at LBL for a simple interactive lattice program by borrowing ideas from both TRANSPORT and SYNCH. A fitting routine is included

Nonlinear lattice waves in heterogeneous media

International Nuclear Information System (INIS)

Laptyeva, T V; Ivanchenko, M V; Flach, S

2014-01-01

We discuss recent advances in the understanding of the dynamics of nonlinear lattice waves in heterogeneous media, which enforce complete wave localization in the linear wave equation limit, especially Anderson localization for random potentials, and Aubry–André localization for quasiperiodic potentials. Additional nonlinear terms in the wave equations can either preserve the phase-coherent localization of waves, or destroy it through nonintegrability and deterministic chaos. Spreading wave packets are observed to show universal features in their dynamics which are related to properties of nonlinear diffusion equations. (topical review)

Unravelling the local structure of topological crystalline insulators using hyperfine interactions

CERN Multimedia

Phenomena emerging from relativistic electrons in solids have become one the main topical subjects in condensed matter physics. Among a wealth of intriguing new phenomena, several classes of materials have emerged including graphene, topological insulators and Dirac semi-metals. This project is devoted to one such class of materials, in which a subtle distortion of the crystalline lattice drives a material through different topological phases: Z$_{2}$ topological insulator (Z$_{2}$-TI), topological crystalline insulator (TCI), or ferroelectric Rashba semiconductor (FERS). We propose to investigate the local structure of Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te (with $\\textit{x}$ from 0 to 1) using a combination of experimental techniques based on hyperfine interactions: emission Mössbauer spectroscopy (eMS) and perturbed angular correlation spectroscopy (PAC). In particular, we propose to study the effect of composition ($\\textit{x}$ in Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te) on: \\\\ \\\\(1) the mag...

Multigrid for Staggered Lattice Fermions

Energy Technology Data Exchange (ETDEWEB)

Brower, Richard C. [Boston U.; Clark, M. A. [Unlisted, US; Strelchenko, Alexei [Fermilab; Weinberg, Evan [Boston U.

2018-01-23

Critical slowing down in Krylov methods for the Dirac operator presents a major obstacle to further advances in lattice field theory as it approaches the continuum solution. Here we formulate a multi-grid algorithm for the Kogut-Susskind (or staggered) fermion discretization which has proven difficult relative to Wilson multigrid due to its first-order anti-Hermitian structure. The solution is to introduce a novel spectral transformation by the K\\"ahler-Dirac spin structure prior to the Galerkin projection. We present numerical results for the two-dimensional, two-flavor Schwinger model, however, the general formalism is agnostic to dimension and is directly applicable to four-dimensional lattice QCD.

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.

Renormalization transformation of periodic and aperiodic lattices

International Nuclear Information System (INIS)

Macia, Enrique; Rodriguez-Oliveros, Rogelio

2006-01-01

In this work we introduce a similarity transformation acting on transfer matrices describing the propagation of elementary excitations through either periodic or Fibonacci lattices. The proposed transformation can act at two different scale lengths. At the atomic scale the transformation allows one to express the systems' global transfer matrix in terms of an equivalent on-site model one. Correlation effects among different hopping terms are described by a series of local phase factors in that case. When acting on larger scale lengths, corresponding to short segments of the original lattice, the similarity transformation can be properly regarded as describing an effective renormalization of the chain. The nature of the resulting renormalized lattice significantly depends on the kind of order (i.e., periodic or quasiperiodic) of the original lattice, expressing a delicate balance between chemical complexity and topological order as a consequence of the renormalization process

Lattice gauge theory for QCD

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.

Strong coupling constant from Adler function in lattice QCD

Science.gov (United States)

Hudspith, Renwick J.; Lewis, Randy; Maltman, Kim; Shintani, Eigo

2016-09-01

We compute the QCD coupling constant, αs, from the Adler function with vector hadronic vacuum polarization (HVP) function. On the lattice, Adler function can be measured by the differential of HVP at two different momentum scales. HVP is measured from the conserved-local vector current correlator using nf = 2 + 1 flavor Domain Wall lattice data with three different lattice cutoffs, up to a-1 ≈ 3.14 GeV. To avoid the lattice artifact due to O(4) symmetry breaking, we set the cylinder cut on the lattice momentum with reflection projection onto vector current correlator, and it then provides smooth function of momentum scale for extracted HVP. We present a global fit of the lattice data at a justified momentum scale with three lattice cutoffs using continuum perturbation theory at 𝒪(αs4) to obtain the coupling in the continuum limit at arbitrary scale. We take the running to Z boson mass through the appropriate thresholds, and obtain αs(5)(MZ) = 0.1191(24)(37) where the first is statistical error and the second is systematic one.

Mixed-symmetry localized modes and breathers in binary mixtures of Bose-Einstein condensates in optical lattices

International Nuclear Information System (INIS)

Cruz, H. A.; Brazhnyi, V. A.; Konotop, V. V.; Alfimov, G. L.; Salerno, M.

2007-01-01

We study localized modes in binary mixtures of Bose-Einstein condensates embedded in one-dimensional optical lattices. We report a diversity of asymmetric modes and investigate their dynamics. We concentrate on the cases where one of the components is dominant, i.e., has a much larger number of atoms than the other one, and where both components have the numbers of atoms of the same order but different symmetries. In the first case we propose a method of systematically obtaining the modes, considering the ''small'' component as bifurcating from the continuum spectrum. A generalization of this approach combined with the use of the symmetry of the coupled Gross-Pitaevskii equations allows for obtaining breather modes, which are also presented

A cluster-bethe-lattice approach to spin-waves in dilute ferromagnets

International Nuclear Information System (INIS)

Salzberg, J.B.; Silva, C.E.T.G. da; Falicov, L.M.

1975-01-01

The spin-wave spectra of a dilute ferromagnet within the cluster-bethe-lattice approximation is studied. Short range order effects for the alloy are included. A study of finite size clusters connected at their edges to Bethe lattices of the same coordination number allows one to determine:(i) the stability condition for the magnetic system; (ii) the continuum spin-wave local density of states and (iii) the existence of localized states below and above the continuum states

Amplitude-dependent topological edge states in nonlinear phononic lattices

Science.gov (United States)

Pal, Raj Kumar; Vila, Javier; Leamy, Michael; Ruzzene, Massimo

2018-03-01

This work investigates the effect of nonlinearities on topologically protected edge states in one- and two-dimensional phononic lattices. We first show that localized modes arise at the interface between two spring-mass chains that are inverted copies of each other. Explicit expressions derived for the frequencies of the localized modes guide the study of the effect of cubic nonlinearities on the resonant characteristics of the interface, which are shown to be described by a Duffing-like equation. Nonlinearities produce amplitude-dependent frequency shifts, which in the case of a softening nonlinearity cause the localized mode to migrate to the bulk spectrum. The case of a hexagonal lattice implementing a phononic analog of a crystal exhibiting the quantum spin Hall effect is also investigated in the presence of weakly nonlinear cubic springs. An asymptotic analysis provides estimates of the amplitude dependence of the localized modes, while numerical simulations illustrate how the lattice response transitions from bulk-to-edge mode-dominated by varying the excitation amplitude. In contrast with the interface mode of the first example studies, this occurs both for hardening and softening springs. The results of this study provide a theoretical framework for the investigation of nonlinear effects that induce and control topologically protected wave modes through nonlinear interactions and amplitude tuning.

The Electronic Structure of Coupled Semiconductor Quantum Dots Arranged as a Graphene Hexagonal Lattice under a Magnetic Field

International Nuclear Information System (INIS)

Peng Juan; Li Shu-Shen

2012-01-01

We study the electronic spectrum of coupled quantum dots (QDs) arranged as a graphene hexagonal lattice in the presence of an external perpendicular magnetic field. In our tight-binding model, the effect of the magnetic field is included in both the Peierls phase of the Hamiltonian and the tight-binding basis Wannier function. The energy of the system is analyzed when the magnetic flux through the lattice unit cell is a rational fraction of the quantum flux. The calculated spectrum has recursive properties, similar to those of the classical Hofstadter butterfly. However, unlike the ideal Hofstadter butterfly structure, our result is asymmetric since the impacts of the specific material and the magnetic field on the wavefunctions are included, making the results more realistic. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

Science.gov (United States)

Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple

Localized surface plasmon polariton resonance in holographically structured Al-doped ZnO

Energy Technology Data Exchange (ETDEWEB)

George, David; Lowell, David; Mao, Michelle; Hassan, Safaa; Philipose, Usha [Department of Physics and Center for Advanced Research and Technology, University of North Texas, Denton, Texas 76203 (United States); Li, Li; Jiang, Yan; Cui, Jingbiao [Department of Physics and Materials Science, University of Memphis, Memphis, Tennessee 38152 (United States); Ding, Jun; Zhang, Hualiang [Department of Electrical and Computer Engineering, University of Massachusetts Lowell, Lowell, Massachusetts 01854 (United States); Lin, Yuankun [Department of Physics and Center for Advanced Research and Technology, University of North Texas, Denton, Texas 76203 (United States); Department of Electrical Engineering, University of North Texas, Denton, Texas 76203 (United States)

2016-07-28

In this paper, we studied the localized surface plasmon polariton (SPP) resonance in hole arrays in transparent conducting aluminum-doped zinc oxide (AZO). CMOS-compatible fabrication process was demonstrated for the AZO devices. The localized SPP resonance was observed and confirmed by electromagnetic simulations. Using a standing wave model, the observed SPP was dominated by the standing-wave resonance along (1,1) direction in square lattices. This research lays the groundwork for a fabrication technique that can contribute to the core technology of future integrated photonics through its extension into tunable conductive materials.

Symmetry of semi-reduced lattices.

Science.gov (United States)

Stróż, Kazimierz

2015-05-01

derivable via geometric information (Himes & Mighell, 1987; Le Page, 1982). It is illustrated that corresponding arithmetic and geometric holohedries share space distribution of symmetry elements. Moreover, completeness of the s.r.d. types reveals their combinatorial structure and simplifies the crystallographic description of structural phase transitions, especially those observed with the use of powder diffraction. The research proves that there are excellent theoretical and practical reasons for looking at crystal lattice symmetry from an entirely new and surprising point of view - the combinatorial set {\\bb V} of matrices, their semi-reduced lattice context and their geometric properties.

Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling

International Nuclear Information System (INIS)

Li Yingwai; Landau, David P; Wüst, Thomas

2012-01-01

Wang-Landau sampling has been applied to investigate the thermodynamics and structural properties of a lattice hydrophobic-polar heteropolymer (the HP protein model) interacting with an attractive substrate. For simplicity, we consider a short HP sequence consisting of only 36 monomers interacting with a substrate which attracts all monomers in the sequence. The conformational “phase transitions” have been identified by a canonical analysis of the specific heat and suitable structural observables. Three major “transitions”, namely, adsorption, hydrophobic core formation and “flattening” of adsorbed structures, are observed. Depending on the surface attractive strength relative to the intra-protein attraction among the H monomers, these processes take place in different sequences upon cooling.

Local structure of gallate proton conductors

Energy Technology Data Exchange (ETDEWEB)

Giannici, F; Messana, D; Martorana, A [Universita degli Studi di Palermo, Dipartimento di Chimica Inorganica ed Analitica, Viale delle Scienze, I-90128 Palermo (Italy); Longo, A [CNR, Istituto per lo studio dei materiali nanostrutturati, Via Ugo La Malfa 153, I-90146 Palermo (Italy); Sciortino, L, E-mail: sciortino@pa.ismn.cnr.i

2009-11-15

Lanthanum barium gallate proton conductors are based on disconnected GaO{sub 4} groups. The insertion of hydroxyls in the LaBaGaO{sub 4} network proceeds through self-doping with Ba{sup 2+}, consequent O{sup 2-} vacancy formation to fulfill charge neutrality. With a structural investigation on self-doped LaBaGaO{sub 4} oxides using synchrotron XRD and EXAFS on the Ga K-edge, we find that: (a) the GaO{sub 4} tetrahedra retain their size throughout the whole series; (b) the GaO{sub 4} tetrahedra rotate as rigid bodies on hydration, leading to the formation of a network of shorter O-O configurations that are stabilized by hydrogen bonds; (c) contraction of the lattice occurs along the a unit cell axis, as a consequence of an overall structural rearrangement of the hydrated solid.

Interacting Fermi gases in disordered one-dimensional lattices

International Nuclear Information System (INIS)

Xianlong, Gao; Polini, M.; Tosi, M. P.; Tanatar, B.

2006-01-01

Interacting two-component Fermi gases loaded in a one-dimensional (1D) lattice and subject to harmonic trapping exhibit intriguing compound phases in which fluid regions coexist with local Mott-insulator and/or band-insulator regions. Motivated by experiments on cold atoms inside disordered optical lattices, we present a theoretical study of the effects of a random potential on these ground-state phases. Within a density-functional scheme we show that disorder has two main effects: (i) it destroys the local insulating regions if it is sufficiently strong compared with the on-site atom-atom repulsion, and (ii) it induces an anomaly in the compressibility at low density from quenching of percolation

Spontaneous structural distortion of the metallic Shastry-Sutherland system Dy B4 by quadrupole-spin-lattice coupling

Science.gov (United States)

Sim, Hasung; Lee, Seongsu; Hong, Kun-Pyo; Jeong, Jaehong; Zhang, J. R.; Kamiyama, T.; Adroja, D. T.; Murray, C. A.; Thompson, S. P.; Iga, F.; Ji, S.; Khomskii, D.; Park, Je-Geun

2016-11-01

Dy B4 has a two-dimensional Shastry-Sutherland (Sh-S) lattice with strong Ising character of the Dy ions. Despite the intrinsic frustrations, it undergoes two successive transitions: a magnetic ordering at TN=20 K and a quadrupole ordering at TQ=12.5 K . From high-resolution neutron and synchrotron x-ray powder diffraction studies, we have obtained full structural information on this material in all phases and demonstrate that structural modifications occurring at quadrupolar transition lead to the lifting of frustrations inherent in the Sh-S model. Our paper thus provides a complete experimental picture of how the intrinsic frustration of the Sh-S lattice can be lifted by the coupling to quadrupole moments. We show that two other factors, i.e., strong spin-orbit coupling and long-range Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in metallic Dy B4 , play an important role in this behavior.

Characteristic analysis on the deformation behaviour of shell-like lattice structures subjected to follower forces; Judo kaju wo ukeru kosa arch kozo no daihenkei kyodo ni kansuru kenkyu

Energy Technology Data Exchange (ETDEWEB)

Fukuchi, N.; Okada, K. [Kyushu University, Fukuoka (Japan); Fujii, M. [Namura Shipbuilding Co. Ltd., Osaka (Japan); Shiraki, M. [Toyota Motor Corp., Aichi (Japan)

1998-09-04

The deformation mechanisms of submerged shell-like lattice structures with membrane are in principle of a non-conservative nature since the follower type hydrostatic pressure. In the region of large deformations, especially in the case of geometrically deep shell-like lattice structures, the system could be much more accurately defined in a mono-clinically convected coordinate description than the conventional spatial description. Also, a complete analysis of a non-conservative system requires a criterion since the system can have multiple ranges of stability and instability involving buckling and snapping. This paper presents the development of the governing equations for the finite deformations of shell-like lattices defined in a mono-clincally convected coordinate description and applies the same to different cases of lattice deformations. The validity of the formulations is verified for finite deformation. The examples of some geometrically special shell-like lattice structures are presented as well to show the feasibility of the present formulation. 5 refs., 11 figs.

Partial rotational lattice order–disorder in stefin B crystals

International Nuclear Information System (INIS)

Renko, Miha; Taler-Verčič, Ajda; Mihelič, Marko; Žerovnik, Eva; Turk, Dušan

2014-01-01

Crystal lattice disorders are a phenomenon which may hamper the determination of macromolecular crystal structures. Using the case of the crystal structure of stefin B, identification of rotational order–disorder and structure determination are described. At present, the determination of crystal structures from data that have been acquired from twinned crystals is routine; however, with the increasing number of crystal structures additional crystal lattice disorders are being discovered. Here, a previously undescribed partial rotational order–disorder that has been observed in crystals of stefin B is described. The diffraction images revealed normal diffraction patterns that result from a regular crystal lattice. The data could be processed in space groups I4 and I422, yet one crystal exhibited a notable rejection rate in the higher symmetry space group. An explanation for this behaviour was found once the crystal structures had been solved and refined and the electron-density maps had been inspected. The lattice of stefin B crystals is composed of five tetramer layers: four well ordered layers which are followed by an additional layer of alternatively placed tetramers. The presence of alternative positions was revealed by the inspection of electron-density score maps. The well ordered layers correspond to the crystal symmetry of space group I422. In addition, the positions of the molecules in the additional layer are related by twofold rotational axes which correspond to space group I422; however, these molecules lie on the twofold axis and can only be related in a statistical manner. When the occupancies of alternate positions and overlapping are equal, the crystal lattice indeed fulfills the criteria of space group I422; when these occupancies are not equal, the lattice only fulfills the criteria of space group I4

Vortex Lattices in the Bose-Fermi Superfluid Mixture.

Science.gov (United States)

Jiang, Yuzhu; Qi, Ran; Shi, Zhe-Yu; Zhai, Hui

2017-02-24

In this Letter we show that the vortex lattice structure in the Bose-Fermi superfluid mixture can undergo a sequence of structure transitions when the Fermi superfluid is tuned from the BCS regime to the BEC regime. This is due to the difference in the vortex core structure of a Fermi superfluid in the BCS regime and in the BEC regime. In the BCS regime the vortex core is nearly filled, while the density at the vortex core gradually decreases until it empties out in the BEC regime. Therefore, with the density-density interaction between the Bose and the Fermi superfluids, interaction between the two sets of vortex lattices gets stronger in the BEC regime, which yields the structure transition of vortex lattices. In view of the recent realization of this superfluid mixture and vortices therein, our theoretical predication can be verified experimentally in the near future.

Simulations of relativistic quantum plasmas using real-time lattice scalar QED

Science.gov (United States)

Shi, Yuan; Xiao, Jianyuan; Qin, Hong; Fisch, Nathaniel J.

2018-05-01

Real-time lattice quantum electrodynamics (QED) provides a unique tool for simulating plasmas in the strong-field regime, where collective plasma scales are not well separated from relativistic-quantum scales. As a toy model, we study scalar QED, which describes self-consistent interactions between charged bosons and electromagnetic fields. To solve this model on a computer, we first discretize the scalar-QED action on a lattice, in a way that respects geometric structures of exterior calculus and U(1)-gauge symmetry. The lattice scalar QED can then be solved, in the classical-statistics regime, by advancing an ensemble of statistically equivalent initial conditions in time, using classical field equations obtained by extremizing the discrete action. To demonstrate the capability of our numerical scheme, we apply it to two example problems. The first example is the propagation of linear waves, where we recover analytic wave dispersion relations using numerical spectrum. The second example is an intense laser interacting with a one-dimensional plasma slab, where we demonstrate natural transition from wakefield acceleration to pair production when the wave amplitude exceeds the Schwinger threshold. Our real-time lattice scheme is fully explicit and respects local conservation laws, making it reliable for long-time dynamics. The algorithm is readily parallelized using domain decomposition, and the ensemble may be computed using quantum parallelism in the future.

Spectral tunneling of lattice nonlocal solitons

International Nuclear Information System (INIS)

Kartashov, Yaroslav V.; Torner, Lluis; Vysloukh, Victor A.

2010-01-01

We address spectral tunneling of walking spatial solitons in photorefractive media with nonlocal diffusion component of the nonlinear response and an imprinted shallow optical lattice. In contrast to materials with local nonlinearities, where solitons traveling across the lattice close to the Bragg angle suffer large radiative losses, in photorefractive media with diffusion nonlinearity resulting in self-bending, solitons survive when their propagation angle approaches and even exceeds the Bragg angle. In the spatial frequency domain this effect can be considered as tunneling through the band of spatial frequencies centered around the Bragg frequency where the spatial group velocity dispersion is positive.

Role of lattice inhomogeneities on the electronic properties of selenium deficient Bi2Se3

Science.gov (United States)

Tayal, Akhil; Kumar, Devendra; Lakhani, Archana

2017-11-01

Inter-layer coupling is widely considered to play a crucial role in tuning electronic properties of 3D topological insulators. The aim of this study is to evaluate the role of crystallographic defects on inter-layer coupling in the Se deficient Bi2Se3 (0 0 3) crystal using extended x-ray absorption fine structure spectroscopy (EXAFS) technique. EXAFS measurements at Se-K and Bi-L3 edges reveal distinct local geometry around these atomic sites. It has been observed that short inter-layer Bi-Se and Se-Se bonds emerge in the sample. This additional structural motif coexists with the conventional crystallographic arrangement. Within the quintuple layer Bi-Se bonds are preserved with slight compression in intra-planer Bi-Bi and Se-Se distance and overall reduction in c/a ratio. These findings suggest formation of deformed lattice region, localized and dispersed inhomogeneously within the sample. Such inhomogeneities have also resulted in interesting transport properties such as quantum Hall effect (QHE), large linear magnetoresistance and π-Berry phase in Shubnikov-de Haas (SdH) oscillations of bulk crystals. Detailed analyses of magnetotransport measurements suggest that tuning of inter-layer coupling by local lattice deformation is the key factor for unusual transport properties. Role of axial strain, and stacking faults generated due to defects and charged Se vacancies are discussed to understand the observed electronic properties.

3D Metallic Lattices for Accelerator Applications

CERN Document Server

Shapiro, Michael A; Sirigiri, Jagadishwar R; Temkin, Richard J

2005-01-01

We present the results of research on 3D metallic lattices operating at microwave frequencies for application in (1) accelerator structures with higher order mode suppression, (2) Smith-Purcell radiation beam diagnostics, and (3) polaritonic materials for laser acceleration. Electromagnetic waves in a 3D simple cubic lattice formed by metal wires are calculated using HFSS. The bulk modes in the lattice are determined using single cell calculations with different phase advances in all three directions. The Brillouin diagram for the bulk modes is presented and indicates the absence of band gaps in simple lattices except the band below the cutoff. Lattices with thin wires as well as with thick wires have been analyzed. The Brillouin diagram also indicates the presence of low frequency 3D plasmon mode as well as the two degenerate photon modes analogous to those in a 2D lattice. Surface modes for a semi-infinite cubic lattice are modeled as a stack of cells with different phase advances in the two directions alon...

Structure and degeneracy of vortex lattice domains in pure superconducting niobium: A small-angle neutron scattering study

DEFF Research Database (Denmark)

Laver, M.; Bowell, C.J.; Forgan, E.M.

2009-01-01

High-purity niobium exhibits a surprisingly rich assortment of vortex lattice (VL) structures for fields applied parallel to a fourfold symmetry axis, with all observed VL phases made up of degenerate domains that spontaneously break some crystal symmetry. Yet a single regular hexagonal VL domain...

Cellular automata in cytoskeletal lattices

Energy Technology Data Exchange (ETDEWEB)

Smith, S A; Watt, R C; Hameroff, S R

1984-01-01

Cellular automata (CA) activities could mediate biological regulation and information processing via nonlinear electrodynamic effects in cytoskeletal lattice arrays. Frohlich coherent oscillations and other nonlinear mechanisms may effect discrete 10/sup -10/ to 10/sup -11/ s interval events which result in dynamic patterns in biolattices such as cylindrical protein polymers: microtubules (MT). Structural geometry and electrostatic forces of MT subunit dipole oscillations suggest neighbor rules among the hexagonally packed protein subunits. Computer simulations using these suggested rules and MT structural geometry demonstrate CA activities including dynamical and stable self-organizing patterns, oscillators, and traveling gliders. CA activities in MT and other cytoskeletal lattices may have important biological regulatory functions. 23 references, 6 figures, 1 table.

Spin Solid versus Magnetic Charge Ordered State in Artificial Honeycomb Lattice of Connected Elements

Science.gov (United States)

Glavic, Artur; Summers, Brock; Dahal, Ashutosh; Kline, Joseph; Van Herck, Walter; Sukhov, Alexander; Ernst, Arthur

2018-01-01

Abstract The nature of magnetic correlation at low temperature in two‐dimensional artificial magnetic honeycomb lattice is a strongly debated issue. While theoretical researches suggest that the system will develop a novel zero entropy spin solid state as T → 0 K, a confirmation to this effect in artificial honeycomb lattice of connected elements is lacking. This study reports on the investigation of magnetic correlation in newly designed artificial permalloy honeycomb lattice of ultrasmall elements, with a typical length of ≈12 nm, using neutron scattering measurements and temperature‐dependent micromagnetic simulations. Numerical modeling of the polarized neutron reflectometry data elucidates the temperature‐dependent evolution of spin correlation in this system. As temperature reduces to ≈7 K, the system tends to develop novel spin solid state, manifested by the alternating distribution of magnetic vortex loops of opposite chiralities. Experimental results are complemented by temperature‐dependent micromagnetic simulations that confirm the dominance of spin solid state over local magnetic charge ordered state in the artificial honeycomb lattice with connected elements. These results enable a direct investigation of novel spin solid correlation in the connected honeycomb geometry of 2D artificial structure. PMID:29721429

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice.

Science.gov (United States)

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects.

Polarized Raman study on the lattice structure of BiFeO3 films prepared by pulsed laser deposition

KAUST Repository

Yang, Yang; Yao, Yingbang; Zhang, Q.; Zhang, Xixiang

2014-01-01

Polarized Raman spectroscopy was used to study the lattice structure of BiFeO3 films on different substrates prepared by pulsed laser deposition. Interestingly, the Raman spectra of BiFeO3 films exhibit distinct polarization dependences

Steady-State Anderson Accelerated Coupling of Lattice Boltzmann and Navier–Stokes Solvers

KAUST Repository

Atanasov, Atanas

2016-10-17

We present an Anderson acceleration-based approach to spatially couple three-dimensional Lattice Boltzmann and Navier–Stokes (LBNS) flow simulations. This allows to locally exploit the computational features of both fluid flow solver approaches to the fullest extent and yields enhanced control to match the LB and NS degrees of freedom within the LBNS overlap layer. Designed for parallel Schwarz coupling, the Anderson acceleration allows for the simultaneous execution of both Lattice Boltzmann and Navier–Stokes solver. We detail our coupling methodology, validate it, and study convergence and accuracy of the Anderson accelerated coupling, considering three steady-state scenarios: plane channel flow, flow around a sphere and channel flow across a porous structure. We find that the Anderson accelerated coupling yields a speed-up (in terms of iteration steps) of up to 40% in the considered scenarios, compared to strictly sequential Schwarz coupling.

Stripes and honeycomb lattice of quantized vortices in rotating two-component Bose-Einstein condensates

Science.gov (United States)

Kasamatsu, Kenichi; Sakashita, Kouhei

2018-05-01

We study numerically the structure of a vortex lattice in rotating two-component Bose-Einstein condensates with equal atomic masses and equal intra- and intercomponent coupling strengths. The numerical simulations of the Gross-Pitaevskii equation show that the quantized vortices in this situation form lattice configuration accompanying vortex stripes, honeycomb lattices, and their complexes. This is a result of the degeneracy of the system for the SU(2) symmetric operation, which causes a continuous transformation between the above structures. In terms of the pseudospin representation, the complex lattice structures are identified as a hexagonal lattice of doubly winding half skyrmions.

Lattice dynamics of thorium

Energy Technology Data Exchange (ETDEWEB)

Kumar, J [Agra Coll. (India). Dept. of Physics

1977-03-01

In the present work, a local model pseudopotential has been proposed to study the lattice dynamics of thorium. The model potential depends on the core and ionic radii, and accounts for the s-d-f hybridization effects in a phenomenological way. When this form of potential is applied to derive the photon dispersion curves of Th, sufficiently good agreement is found between the computed and experimental results.

Complex 3D Vortex Lattice Formation by Phase-Engineered Multiple Beam Interference

Directory of Open Access Journals (Sweden)

Jolly Xavier

2012-01-01

Full Text Available We present the computational results on the formation of diverse complex 3D vortex lattices by a designed superposition of multiple plane waves. Special combinations of multiples of three noncoplanar plane waves with a designed relative phase shift between one another are perturbed by a nonsingular beam to generate various complex 3D vortex lattice structures. The formation of complex gyrating lattice structures carrying designed vortices by means of relatively phase-engineered plane waves is also computationally investigated. The generated structures are configured with both periodic as well as transversely quasicrystallographic basis, while these whirling complex lattices possess a long-range order of designed symmetry in a given plane. Various computational analytical tools are used to verify the presence of engineered geometry of vortices in these complex 3D vortex lattices.

Suppression of superconductivity in La1.85Sr0.15Cu1-yNiyO4: The relevance of local lattice distortions

International Nuclear Information System (INIS)

Haskel, D.; Stern, E.A.; Polinger, V.; Dogan, F.

2001-01-01

The effect of Ni substitution upon the local structure of La 1.85 Sr 0.15 Cu 1-y Ni y O 4 is commonly neglected when addressing the Ni-induced destruction of the superconducting state at y≅0.03 and a metal-insulator transition at y≅0.05. It is also sometimes assumed that direct substitution of a dopant into the CuO 2 planes has a detrimental effect on superconductivity due to in-plane lattice distortions around the dopants. We present here results from angular-dependent x-ray absorption fine structure (XAFS) measurements at the Ni, La and Sr K-edges of oriented powders of La 1.85 Sr 0.15 Cu 1-y Ni y O 4 with y=0.01, 0.03, 0.06. A special magnetic alignment geometry allowed us to measure pure c and (subform(ab)) oriented XAFS at the Ni K-edge in identical fluorescence geometries. Both the near-edge absorption spectra (XANES) and the XAFS unequivocally show that the NiO 6 octahedra are largely contracted along the c-axis, by ≅ 0.16 Aa. Surprisingly, the Ni-O planar bonds and the Ni-O-Cu/Ni planar buckling angle are nearly identical to their Cu counterparts. The NiO 6 octahedral contraction drives the macroscopic c-axis contraction observed with Ni-doping. The local c-axis strongly fluctuates, due to the different NiO 6 and CuO 6 octahedral configurations and the much stronger bonding of a La +3 ion than a Sr +2 ion to the O(2) apical oxygens. We discuss the relevance of these findings to the mechanisms of T c suppresion and hole-localization by Ni dopants

Lattice vibrations and thermal properties of carbon nitride with defect ZnS structure from first-principles calculations

NARCIS (Netherlands)

Fang, C.M.; Wijs, G.A. de

2004-01-01

The phonon spectrum Of C3N4 with defect zincblende-type structure (deltaC(3)N(4)) was calculated by density functional theory (DFT) techniques. The results permit an assessment of important mechanical and thermodynamical properties such as the bulk modulus, lattice specific heat, vibration energy,

A lattice-valued linguistic decision model for nuclear safeguards applications

International Nuclear Information System (INIS)

Ruan, D.; Liu, J.; Carchon, R.

2001-01-01

In this study, we focus our attention on decision making models to process uncertainty-based information directly without transforming them into any particular membership function, i.e., directly using linguistic information (linguistic values) instead of numbers (numerical values). By analyzing the feature of linguistic values ordered by their means of common usage, we argue that the set of linguistic values should be characterized by a lattice structure. We propose the lattice structure based on a logical algebraic structure i.e., lattice implication algebra. Finally, we obtain a multi-objective decision-making model by extending Yager's multi-objective model from the following aspects: (1) extension of linguistic information: from a set of linear ordered linguistic labels (values) to that of lattice-valued linguistic labels; (2) extension of the combination function M, which is used to combine the individual ratings with the weights of criteria. We propose an implication operation form of M. The implication operation can be drawn from lattice implication algebra. As an illustration, we will finally apply this decision model to the evaluation problem in safeguard relevant information. (orig.)

Lattice parameters guide superconductivity in iron-arsenides

Science.gov (United States)

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.

Percolation of polyatomic species on site diluted lattices

International Nuclear Information System (INIS)

Cornette, V.; Ramirez-Pastor, A.J.; Nieto, F.

2006-01-01

In this Letter, the percolation of (a) linear segments of size k and (b) k-mers (particles occupying k adjacent sites) of different structures and forms deposited on a diluted square lattice have been studied. The diluted lattice is built by randomly selecting a fraction of sites which are considered forbidden for deposition. The analysis of the obtained results is made in the framework of the finite size scaling theory. The characteristic parameters of the percolation problem are dependent not only on the form and structure of the k-mers but also on the properties of the lattice where they are deposited. A phase diagram separating a percolating from a non-percolating region is determined and discussed

Lattice QCD

International Nuclear Information System (INIS)

Hasenfratz, P.

1983-01-01

The author presents a general introduction to lattice gauge theories and discusses non-perturbative methods in the gauge sector. He then shows how the lattice works in obtaining the string tension in SU(2). Lattice QCD at finite physical temperature is discussed. Universality tests in SU(2) lattice QCD are presented. SU(3) pure gauge theory is briefly dealt with. Finally, fermions on the lattice are considered. (Auth.)

Statistical mechanics view of quantum chromodynamics: Lattice gauge theory

International Nuclear Information System (INIS)

Kogut, J.B.

1984-01-01

Recent developments in lattice gauge theory are discussed from a statistial mechanics viewpoint. The basic physics problems of quantum chromodynamics (QCD) are reviewed for an audience of critical phenomena theorists. The idea of local gauge symmetry and color, the connection between statistical mechanics and field theory, asymptotic freedom and the continuum limit of lattice gauge theories, and the order parameters (confinement and chiral symmetry) of QCD are reviewed. Then recent developments in the field are discussed. These include the proof of confinement in the lattice theory, numerical evidence for confinement in the continuum limit of lattice gauge theory, and perturbative improvement programs for lattice actions. Next, we turn to the new challenges facing the subject. These include the need for a better understanding of the lattice Dirac equation and recent progress in the development of numerical methods for fermions (the pseudofermion stochastic algorithm and the microcanonical, molecular dynamics equation of motion approach). Finally, some of the applications of lattice gauge theory to QCD spectrum calculations and the thermodynamics of QCD will be discussed and a few remarks concerning future directions of the field will be made

Structural imitation and lattice vibration of R{sub 2}Co{sub 17-x}Mn{sub x} (R=Dy, Ho)

Energy Technology Data Exchange (ETDEWEB)

Qian Ping [Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083 (China)]. E-mail: qianpinghu@sohu.com; Chen Nanxian [Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083 (China); Department of Physics, Tsinghua University, Beijing 100084 (China); Shen Jiang [Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083 (China)

2005-02-21

The intermetallics R{sub 2}Co{sub 17-x}Mn{sub x} (R=Dy, Ho) have been studied to ascertain the effect of partial replacement of Co by Mn on their phase stability and site preference. Calculation is based on a series of interatomic pair potentials related to the rare earth and transition metals, which are obtained by a strict lattice inversion method. Our results indicate that the Mn atom can stabilize R{sub 2}Co{sub 17-x}Mn{sub x} with Th{sub 2}Zn{sub 17}-type structure. And Mn atom preferentially substitutes for Co in the 6c site and randomly substitutes in the 18f and 18h site. The differences of lattice constants between the calculated and the experimental values are about or even smaller than 2%. The properties related to lattice vibration, such as phonon density of states and Debye temperature, are also evaluated for these materials. The method utilized in the present investigation offers a rather easy and direct way to study the structural and vibrational properties of R{sub 2}Co{sub 17-x}Mn{sub x}.

SFM-FDTD analysis of triangular-lattice AAA structure: Parametric study of the TEM mode

Science.gov (United States)

Hamidi, M.; Chemrouk, C.; Belkhir, A.; Kebci, Z.; Ndao, A.; Lamrous, O.; Baida, F. I.

2014-05-01

This theoretical work reports a parametric study of enhanced transmission through annular aperture array (AAA) structure arranged in a triangular lattice. The effect of the incidence angle in addition to the inner and outer radii values on the evolution of the transmission spectra is carried out. To this end, a 3D Finite-Difference Time-Domain code based on the Split Field Method (SFM) is used to calculate the spectral response of the structure for any angle of incidence. In order to work through an orthogonal unit cell which presents the advantage to reduce time and space of computation, special periodic boundary conditions are implemented. This study provides a new modeling of AAA structures useful for producing tunable ultra-compact devices.

Dipolar local field in homogeneously magnetized quasi-two-dimensional crystals

International Nuclear Information System (INIS)

Leon, H; Estevez-Rams, E

2009-01-01

A formalism to calculate the dipolar local field in homogeneously magnetized quasi-two-dimensional (Q2D) crystals is comprehensively presented. Two fundamental tests for this formalism are accomplished: the transition from the Q2D quantities to the corresponding 3D ones; and the recovering of the macroscopic quantities of the 3D continuum theory. The additive separation between lattice and shape contributions to the local field allows an unambiguous interpretation of the respective effects. Calculated demagnetization tensors for square and circular lateral geometries of dipole layers show that for a single crystal layer an extremely thin film, but still with a finite thickness, is a better physical representation than a strictly 2D plane. Distinct close-packed structures are simulated and calculations of the local field at the nodes of the stacked 2D lattices allow one to establish the number of significantly coupled dipole layers, depending on the ratio between the interlayer distance and the 2D lattice constant. The conclusions drawn are of interest for the study of the dipolar interaction in magnetic ultrathin films and other nanostructured materials, where magnetic nanoparticles are embedded in non-magnetic matrices.

Magnetic structure and resonance properties of hexagonal antidot lattice

International Nuclear Information System (INIS)

Marchenko, A.I.; Krivoruchko, V.N.

2012-01-01

Static and resonance properties of ferromagnetic films with an antidot lattice (pores in the film) are studied. The description of the system is based on micromagnetic modeling and analytical solution of the Landau-Lifshitz equation. The dependences of ferromagnetic resonance spectra on the in-plane direction of applied magnetic field and on the lattice parameters are investigated. The dependences of a dynamic system response on frequency at fixed magnetic field and on field at fixed frequency, when the field changes cause the static magnetic order to change are explored. It is found that the specific peculiarities of the system dynamics leave unchange for both of these experimental conditions. Namely, for low damping the resonance spectra contain three quasi-homogeneous modes which are due to the resonance of different regions (domains) of the antidot lattice cell. It is shown the angular field dependences of each mode are characterized by a twofold symmetry and the related easy axes are mutually rotated by 60 degrees. As the result, a hexagonal symmetry of the system static and dynamic magnetic characteristics is realized. The existence in the resonance spectrum of several quasi-homogeneous modes related to different regions of the unit cell could be fundamental for working elements of magnonic devices.

Electronic structure and lattice properties of metastable III-(N,V) semiconductor systems; Elektronische Struktur und Kristallgittereigenschaften von metastabilen III-(N,V)-Halbleitersystemen

Energy Technology Data Exchange (ETDEWEB)

Guengerich, M.

2007-12-18

This thesis gives an overview of these influences for Ga-V semiconductors (V=P,As,Sb). Lattice vibrations of the ternary alloys Ga(N,P), Ga(N,As) und Ga(N,Sb) are studied and analyzed with respect to the local binding of the N atoms in the host lattices. For the first time, pressure coefficients of the extended host phonons as well as of the N local vibrational modes in Ga(N,As) und Ga(N,P) are determined by Raman spectroscopy under hydrostatic pressure. The relationship between the force constant of the Ga-N bond and the bond length is determined. A central aspect of the thesis is the concentration dependence of optical transitions in Ga(N,P) and Ga(N,As), studied by spectroscopic methods. The impurity levels in both materials are determined by the spatial statistics of the N atoms. (orig.)

Ab initio localized basis set study of structural parameters and elastic properties of HfO2 polymorphs

International Nuclear Information System (INIS)

Caravaca, M A; Casali, R A

2005-01-01

The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2 1 /c, Pbca, Pnma, Fm3m, P4 2 nmc and Pa3 phases of HfO 2 . Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2 1 /c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2 1 /c → Pbca and Pbca → Pnma, respectively, in accordance with different high pressure experimental values

Dynamic behavior of acoustic metamaterials and metaconfigured structures with local oscillators

Science.gov (United States)

Manimala, James Mathew

in locally dissipative AM with various damped oscillator microstructures was studied using mechanical lattice models. The presence of damping was represented by a complex effective-mass. Analytical transmissibilities and numerical verifications were obtained for Kelvin-Voigt-type, Maxwell-type and Zener-type oscillators. Although peak attenuation at resonance is diminished, broadband attenuation was found to be achievable without increasing mass ratio, obviating the bandgap width limitations of locally resonant AM. Static and frequency-dependent measures of optimal damping that maximize the attenuation characteristics were established. A transitional value for the excitation frequency was identified within the locally resonant bandgap, above which there always exists an optimal amount of damping that renders the attenuation for the dissipative AM greater than that for the locally resonant case. AM with nonlinear stiffnesses were also investigated. For a base-excited two degree of freedom system consisting of a master structure and a Duffing-type oscillator, approximate transmissibility was derived, verified using simulations and compared to its equivalent damped model. Analytical solutions for dispersion curve shifts in nonlinear chains with linear resonators and in linear chains with nonlinear oscillators were obtained using perturbation analysis and first order approximations for cubic hardening and softening cases. Amplitude-activated alterations in bandgap width and the possibility of phenomena such as branch curling and overtaking were observed. Device implications of nonlinear AM as amplitude-dependent filters and direction-biased waveguides were examined using simulations.

Entropy favours open colloidal lattices

Science.gov (United States)

Mao, Xiaoming; Chen, Qian; Granick, Steve

2013-03-01

Burgeoning experimental and simulation activity seeks to understand the existence of self-assembled colloidal structures that are not close-packed. Here we describe an analytical theory based on lattice dynamics and supported by experiments that reveals the fundamental role entropy can play in stabilizing open lattices. The entropy we consider is associated with the rotational and vibrational modes unique to colloids interacting through extended attractive patches. The theory makes predictions of the implied temperature, pressure and patch-size dependence of the phase diagram of open and close-packed structures. More generally, it provides guidance for the conditions at which targeted patchy colloidal assemblies in two and three dimensions are stable, thus overcoming the difficulty in exploring by experiment or simulation the full range of conceivable parameters.

Lattice thermal conductivity in layered BiCuSeO

KAUST Repository

Kumar, S.; Schwingenschlö gl, Udo

2016-01-01

structure of the phonon dispersion. For example, at room temperature the optical phonons account for an enormous 42% of the lattice thermal conductivity. We also quantify the anisotropy of the lattice thermal conductivity and determine the distribution

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....... Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer...... 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....

Multilayer DNA origami packed on hexagonal and hybrid lattices.

Science.gov (United States)

Ke, Yonggang; Voigt, Niels V; Gothelf, Kurt V; Shih, William M

2012-01-25

"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. Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer 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. © 2011 American Chemical Society

Chiral symmetry on the lattice

International Nuclear Information System (INIS)

Creutz, M.

1994-11-01

The author reviews some of the difficulties associated with chiral symmetry in the context of a lattice regulator. The author discusses the structure of Wilson Fermions when the hopping parameter is in the vicinity of its critical value. Here one flavor contrasts sharply with the case of more, where a residual chiral symmetry survives anomalies. The author briefly discusses the surface mode approach, the use of mirror Fermions to cancel anomalies, and finally speculates on the problems with lattice versions of the standard model

A lattice calculation of the nucleon's spin-dependent structure function g2 revisited

International Nuclear Information System (INIS)

Goeckeler, M.; Rakow, P.E.L.; Schaefer, A.; Schierholz, G.

2000-11-01

Our previous calculation of the spin-dependent structure function g 2 is revisited. The interest in this structure function is to a great extent motivated by the fact that it receives contributions from twist-two as well as from twist-three operators already in leading order of 1/Q 2 thus offering the unique possibility of directly assessing higher-twist effects. In our former calculation the lattice operators were renormalized perturbatively and mixing with lower-dimensional operators was ignored. However, the twist-three operator which gives rise to the matrix element d 2 mixes non-perturbatively with an operator of lower dimension. Taking this effect into account leads to a considerably smaller value of d 2 , which is consistent with the experimental data. (orig.)

Introduction to Louis Michel's lattice geometry through group action

CERN Document Server

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 ...

Topology in dynamical lattice QCD simulations

International Nuclear Information System (INIS)

Gruber, Florian

2012-01-01

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.

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.

Synthetic magnetic fluxes on the honeycomb lattice

Energy Technology Data Exchange (ETDEWEB)

Gorecka, Agnieszka [Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543 (Singapore); Gremaud, Benoit [Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543 (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Laboratoire Kastler Brossel, Ecole Normale Superieure, CNRS, UPMC, 4 Place Jussieu, FR-75005 Paris (France); Miniatura, Christian [Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543 (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Institut Non Lineaire de Nice, UMR 6618, UNS, CNRS, 1361 Route des Lucioles, FR-06560 Valbonne (France); Institute of Advanced Studies, Nanyang Technological university, 60 Nanyang View, Singapore 639673 (Singapore)

2011-08-15

We devise experimental schemes that are able to mimic uniform and staggered magnetic fluxes acting on ultracold two-electron atoms, such as ytterbium atoms, propagating in a honeycomb lattice. The atoms are first trapped into two independent state-selective triangular lattices and then further exposed to a suitable configuration of resonant Raman laser beams. These beams induce hops between the two triangular lattices and make atoms move in a honeycomb lattice. Atoms traveling around each unit cell of this honeycomb lattice pick up a nonzero phase. In the uniform case, the artificial magnetic flux sustained by each cell can reach about two flux quanta, thereby realizing a cold-atom analog of the Harper model with its notorious Hofstadter's butterfly structure. Different condensed-matter phenomena such as the relativistic integer and fractional quantum Hall effects, as observed in graphene samples, could be targeted with this scheme.

Group lattices with applications to the molecule C60

International Nuclear Information System (INIS)

Stuart, S.

1993-01-01

A brief introduction to group lattices and their application to the electronic structure of C 6 0 is presented. Group lattice methods with experimental results yield a fairly clear picture of the electronic energy levels. (Author) 7 refs

Entire solutions for bistable lattice differential equations with obstacles

CERN Document Server

Hoffman, Aaron; Vleck, E S Van

2018-01-01

The authors consider scalar lattice differential equations posed on square lattices in two space dimensions. Under certain natural conditions they show that wave-like solutions exist when obstacles (characterized by "holes") are present in the lattice. Their work generalizes to the discrete spatial setting the results obtained in Berestycki, Hamel, and Matuno (2009) for the propagation of waves around obstacles in continuous spatial domains. The analysis hinges upon the development of sub and super-solutions for a class of discrete bistable reaction-diffusion problems and on a generalization of a classical result due to Aronson and Weinberger that concerns the spreading of localized disturbances.

Electron backscatter diffraction characterization of laser-induced periodic surface structures on nickel surface

Energy Technology Data Exchange (ETDEWEB)

Sedao, Xxx, E-mail: sedao.xxx@gmail.com [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Maurice, Claire [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Garrelie, Florence; Colombier, Jean-Philippe; Reynaud, Stéphanie [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Quey, Romain; Blanc, Gilles [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Pigeon, Florent [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France)

2014-05-01

Graphical abstract: -- Highlight: •Lattice rotation and its distribution in laser-induced periodic surface structures (LIPSS) and the subsurface region on a nickel substrate are revealed using electron backscatter diffraction (EBSD). -- Abstract: We report on the structural investigation of laser-induced periodic surface structures (LIPSS) generated in polycrystalline nickel target after multi-shot irradiation by femtosecond laser pulses. Electron backscatter diffraction (EBSD) is used to reveal lattice rotation caused by dislocation storage during LIPSS formation. Localized crystallographic damages in the LIPSS are detected from both surface and cross-sectional EBSD studies. A surface region (up to 200 nm) with 1–3° grain disorientation is observed in localized areas from the cross-section of the LIPSS. The distribution of the local disorientation is inhomogeneous across the LIPSS and the subsurface region.

The analysis of space-time structure in QCD vacuum, I: localization vs global behavior in local observables and Dirac eigenmodes

International Nuclear Information System (INIS)

Horvath, Ivan

2005-01-01

The structure of QCD vacuum can be studied from first principles using lattice-regularized theory. This line of research entered a qualitatively new phase recently, wherein the space-time structure (at least for some quantities) can be directly observed in configurations dominating the QCD path integral, i.e., without any subjective processing of typical configurations. This approach to QCD vacuum structure does not rely on any proposed picture of QCD vacuum but rather attempts to characterize this structure in a model-independent manner, so that a coherent physical picture of the vacuum can emerge when such unbiased numerical information accumulates to a sufficient degree. An important part of this program is to develop a set of suitable quantitative characteristics describing the space-time structure in a meaningful and physically relevant manner. One of the basic pertinent issues here is whether QCD vacuum dynamics can be understood in terms of localized vacuum objects, or whether such objects behave as inherently global entities. The first direct studies of vacuum structure strongly support the latter. In this paper, we develop a formal framework which allows to answer this question in a quantitative manner. We discuss in detail how to apply this approach to Dirac eigenmodes and to basic scalar and pseudoscalar composites of gauge fields (action density and topological charge density). The approach is illustrated numerically on overlap Dirac zero modes and near-zero modes. This illustrative data provides direct quantitative evidence supporting our earlier arguments for the global nature of QCD Dirac eigenmodes

Upper bound on the cutoff in lattice electroweak theory

International Nuclear Information System (INIS)

Veselov, A.I.; Zubkov, M.A.

2008-01-01

We investigate numerically lattice Weinberg-Salam model without fermions for realistic values of the fine structure constant and the Weinberg angle. We also analyze the data of the previous numerical investigations of lattice Electroweak theory. We have found that moving along the line of constant physics when the lattice spacing a is decreased, one should leave the physical Higgs phase of the theory at a certain value of a. Our estimate of the minimal value of the lattice spacing is a c = [430 ± 40 GeV] -1 .

Order and disorder in the local and long-range structure of the spin-glass pyrochlore, Tb{sub 2}Mo{sub 2}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Jiang, Yu; Huq, Ashfia; Booth, Corwin H.; Ehlers, Georg; Greedan, John E.; Gardner, Jason S.

2011-02-11

To understand the origin of the spin-glass state in molybdate pyrochlores, the structure of Tb{sub 2}Mo{sub 2}O{sub 7} is investigated using two techniques: the long-range lattice structure was measured using neutron powder diffraction (NPD), and local structure information was obtained from the extended x-ray absorption fine structure (EXAFS) technique. While the long-range structure appears generally well ordered, enhanced mean-squared site displacements on the O(1) site and the lack of temperature dependence of the strongly anisotropic displacement parameters for both the Mo and O(1) sites indicate some disorder exists. Likewise, the local structure measurements indicate some Mo-Mo and Tb-O(1) nearest-neighbor disorder exists, similar to that found in the related spin-glass pyrochlore, Y{sub 2}Mo{sub 2}O{sub 7}. Although the freezing temperature in Tb{sub 2}Mo{sub 2}O{sub 7}, 25 K, is slightly higher than in Y{sub 2}Mo{sub 2}O{sub 7}, 22 K, the degree of local pair distance disorder is actually less in Tb{sub 2}Mo{sub 2}O{sub 7}. This apparent contradiction is considered in light of the interactions involved in the freezing process.

Differential geometry of group lattices

International Nuclear Information System (INIS)

Dimakis, Aristophanes; Mueller-Hoissen, Folkert

2003-01-01

In a series of publications we developed ''differential geometry'' on discrete sets based on concepts of noncommutative geometry. In particular, it turned out that first-order differential calculi (over the algebra of functions) on a discrete set are in bijective correspondence with digraph structures where the vertices are given by the elements of the set. A particular class of digraphs are Cayley graphs, also known as group lattices. They are determined by a discrete group G and a finite subset S. There is a distinguished subclass of ''bicovariant'' Cayley graphs with the property ad(S)S subset of S. We explore the properties of differential calculi which arise from Cayley graphs via the above correspondence. The first-order calculi extend to higher orders and then allow us to introduce further differential geometric structures. Furthermore, we explore the properties of ''discrete'' vector fields which describe deterministic flows on group lattices. A Lie derivative with respect to a discrete vector field and an inner product with forms is defined. The Lie-Cartan identity then holds on all forms for a certain subclass of discrete vector fields. We develop elements of gauge theory and construct an analog of the lattice gauge theory (Yang-Mills) action on an arbitrary group lattice. Also linear connections are considered and a simple geometric interpretation of the torsion is established. By taking a quotient with respect to some subgroup of the discrete group, generalized differential calculi associated with so-called Schreier diagrams are obtained

Pressure-induced structural change from hexagonal to fcc metal lattice in scandium trihydride

International Nuclear Information System (INIS)

Ohmura, A.; Machida, A.; Watanuki, T.; Aoki, K.; Nakano, S.; Takemura, K.

2007-01-01

We synthesized scandium hydrides by hydrogenation of a scandium foil with hydrogen fluid under high pressure at ambient temperature. Scandium dihydride (ScH 2 ) and trihydride (ScH 3 ) were prepared near 4 and 5 GPa, respectively. The hydrogenation process and pressure-induced structural changes in ScH 3 were investigated by synchrotron radiation X-ray diffraction measurements up to 54.7 GPa. A structural transition from hexagonal to the fcc lattice began at 30 GPa and was completed at 46 GPa via an intermediate state similar to those reported for other hexagonal trihydrides. The intermediate state was not interpreted in terms of a coexisting state for the low-pressure hexagonal and the high-pressure fcc structures. The onset transition pressure of ScH 3 supported the previously proposed relation that the hexagonal-fcc transition pressure is inversely proportional to the ionic radius of the trihydride

[Lattice degeneration of the retina].

Science.gov (United States)

Boĭko, E V; Suetov, A A; Mal'tsev, D S

2014-01-01

Lattice degeneration of the retina is a clinically important type of peripheral retinal dystrophies due to its participation in the pathogenesis of rhegmatogenous retinal detachment. In spite of extensive epidemiological, morphological, and clinical data, the question on causes of this particular type of retinal dystrophies currently remains debatable. Existing hypotheses on pathogenesis of retinal structural changes in lattice degeneration explain it to a certain extent. In clinical ophthalmology it is necessary to pay close attention to this kind of degenerations and distinguish between cases requiring preventive treatment and those requiring monitoring.

Vortex lattices in different configurations of periodic pinning line-arrays

International Nuclear Information System (INIS)

Lima, Clessio Leao S.; Cabral, Leonardo R.E.; Souza Silva, Clecio C. de; Aguiar, J. Albino

2006-01-01

The vortex lattice (VL) ground-state configurations are found using Monte Carlo (MC) simulated annealing with a local molecular dynamics (MD) in the London limit. We study the field dependence of the melting temperature for commensurate and incommensurate vortex lattices interacting with different periodic arrays of pinning. We also investigated the proliferation of topological defects and its dependence on the periodic pinning array symmetry and temperature

Lattice-induced nonadiabatic frequency shifts in optical lattice clocks

International Nuclear Information System (INIS)

Beloy, K.

2010-01-01

We consider the frequency shift in optical lattice clocks which arises from the coupling of the electronic motion to the atomic motion within the lattice. For the simplest of three-dimensional lattice geometries this coupling is shown to affect only clocks based on blue-detuned lattices. We have estimated the size of this shift for the prospective strontium lattice clock operating at the 390-nm blue-detuned magic wavelength. The resulting fractional frequency shift is found to be on the order of 10 -18 and is largely overshadowed by the electric quadrupole shift. For lattice clocks based on more complex geometries or other atomic systems, this shift could potentially be a limiting factor in clock accuracy.

Global/local methods for probabilistic structural analysis

Science.gov (United States)

Millwater, H. R.; Wu, Y.-T.

1993-04-01

A probabilistic global/local method is proposed to reduce the computational requirements of probabilistic structural analysis. A coarser global model is used for most of the computations with a local more refined model used only at key probabilistic conditions. The global model is used to establish the cumulative distribution function (cdf) and the Most Probable Point (MPP). The local model then uses the predicted MPP to adjust the cdf value. The global/local method is used within the advanced mean value probabilistic algorithm. The local model can be more refined with respect to the g1obal model in terms of finer mesh, smaller time step, tighter tolerances, etc. and can be used with linear or nonlinear models. The basis for this approach is described in terms of the correlation between the global and local models which can be estimated from the global and local MPPs. A numerical example is presented using the NESSUS probabilistic structural analysis program with the finite element method used for the structural modeling. The results clearly indicate a significant computer savings with minimal loss in accuracy.

Potential role for MATER in cytoplasmic lattice formation in murine oocytes.

Directory of Open Access Journals (Sweden)

Boram Kim

2010-09-01

Full Text Available Mater and Padi6 are maternal effect genes that are first expressed during oocyte growth and are required for embryonic development beyond the two-cell stage in the mouse. We have recently found that PADI6 localizes to, and is required for the formation of, abundant fibrillar Triton X-100 (Triton insoluble structures termed the oocyte cytoplasmic lattices (CPLs. Given their similar expression profiles and mutant mouse phenotypes, we have been testing the hypothesis that MATER also plays a role in CPL formation and/or function.Herein, we show that PADI6 and MATER co-localize throughout the oocyte cytoplasm following Triton extraction, suggesting that MATER co-localizes with PADI6 at the CPLs. Additionally, the solubility of PADI6 was dramatically increased in Mater(tm/tm oocytes following Triton extraction, suggesting that MATER is involved in CPL nucleation. This prediction is supported by transmission electron microscopic analysis of Mater(+/+ and Mater(tm/tm germinal vesicle stage oocytes which illustrated that volume fraction of CPLs was reduced by 90% in Mater(tm/tm oocytes compared to Mater(+/+ oocytes.Taken together, these results suggest that, similar to PADI6, MATER is also required for CPL formation. Given that PADI6 and MATER are essential for female fertility, these results not only strengthen the hypothesis that the lattices play a critical role in mediating events during the oocyte-to-embryo transition but also increase our understanding of the molecular nature of the CPLs.

Hybridization in Kondo lattice heavy fermions via quasiparticle scattering spectroscopy (QPS)

Science.gov (United States)

Narasiwodeyar, Sanjay; Dwyer, Matt; Greene, Laura; Park, Wan Kyu; Bauer, Eric; Tobash, Paul; Baumbach, Ryan; Ronning, Filip; Sarrao, John; Thompson, Joe; Canfield, Paul

2014-03-01

Band renormalization in a Kondo lattice via hybridization of the conduction band with localized states has been a hot topic over the last several years. In part, this has to do with recently reignited interest in the hidden order problem in URu2Si2. Despite recent developments regarding the electronic structure in this compound, it remains to be resolved whether the hidden order phase transition is related to the opening of a hybridization gap. Our quasiparticle scattering spectroscopy (QPS) has shown they are not related directly. This can be understood naturally since in principle band renormalization does not involve symmetry breaking. To deepen our understanding, we extend to other Kondo lattice compounds. For instance, when applied to YbAl3, a vegetable heavy-fermion system, QPS reveals conductance signatures for hybridization in a Kondo lattice such as asymmetric Fano background along with characteristic energy scales. Presenting new results on these materials, we will discuss a broader picture. The work at UIUC is supported by the NSF DMR 12-06766, the work at LANL is carried out under the auspices of the U.S. DOE, Office of Science, and the work done at Ames Lab. was supported under Contract No. DE-AC02-07CH11358.

Atomic interferometers in an optical lattice

International Nuclear Information System (INIS)

Pelle, Bruno

2013-01-01

The aim of the ForCa-G project, for Casimir force and short range Gravitation, lies into the measurement of short range forces between atoms and a mirror using atomic interferometry techniques. Particularly, the Casimir-Polder force and the pursuit of short range gravitational tests in the frame of potential deviations of Newton's law are aimed. This experiment is based on the trapping of neutral atoms in a 1D vertical optical lattice, where the energy eigenvalues of the Hamiltonian describing this system is the so-called Wannier-Stark ladder of discrete energy states localized in each lattice well. This work constitutes a demonstration of principle of this project with atoms set far from the mirror. Each energy state is thus separated from the one of the adjacent well by the potential energy increment between those two wells, called the Bloch frequency ν B . Then, atomic interferometers are realized in the lattice using Raman or microwave pulses where the trapped atomic wave functions are placed, and then recombined, in a superposition of states between different energy states localized either in the same well, either in adjacent wells. This work presents the study of different kinds of atomic interferometers in this optical lattice, characterized in terms of sensibility and systematic effects on the Bloch frequency measurement. One of the studied interferometers accessed to a sensitivity on the Bloch frequency of σ δ ν B /ν B =9.0x10 -6 at 1∼s in relative, which integrates until σ δ ν B /ν B =1. 10 -7 in 2800∼s. This corresponds to a state-of-the-art measurement of the gravity acceleration g for a trapped atomic gravimeter. (author)

Lattice Waves, Spin Waves, and Neutron Scattering

Science.gov (United States)

Brockhouse, Bertram N.

1962-03-01

Use of neutron inelastic scattering to study the forces between atoms in solids is treated. One-phonon processes and lattice vibrations are discussed, and experiments that verified the existence of the quantum of lattice vibrations, the phonon, are reviewed. Dispersion curves, phonon frequencies and absorption, and models for dispersion calculations are discussed. Experiments on the crystal dynamics of metals are examined. Dispersion curves are presented and analyzed; theory of lattice dynamics is considered; effects of Fermi surfaces on dispersion curves; electron-phonon interactions, electronic structure influence on lattice vibrations, and phonon lifetimes are explored. The dispersion relation of spin waves in crystals and experiments in which dispersion curves for spin waves in Co-Fe alloy and magnons in magnetite were obtained and the reality of the magnon was demonstrated are discussed. (D.C.W)