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Sample records for 3d triangular lattice

  1. RNA folding on the 3D triangular lattice

    PubMed Central

    2009-01-01

    Background Difficult problems in structural bioinformatics are often studied in simple exact models to gain insights and to derive general principles. Protein folding, for example, has long been studied in the lattice model. Recently, researchers have also begun to apply the lattice model to the study of RNA folding. Results We present a novel method for predicting RNA secondary structures with pseudoknots: first simulate the folding dynamics of the RNA sequence on the 3D triangular lattice, next extract and select a set of disjoint base pairs from the best lattice conformation found by the folding simulation. Experiments on sequences from PseudoBase show that our prediction method outperforms the HotKnot algorithm of Ren, Rastegari, Condon and Hoos, a leading method for RNA pseudoknot prediction. Our method for RNA secondary structure prediction can be adapted into an efficient reconstruction method that, given an RNA sequence and an associated secondary structure, finds a conformation of the sequence on the 3D triangular lattice that realizes the base pairs in the secondary structure. We implemented a suite of computer programs for the simulation and visualization of RNA folding on the 3D triangular lattice. These programs come with detailed documentation and are accessible from the companion website of this paper at http://www.cs.usu.edu/~mjiang/rna/DeltaIS/. Conclusion Folding simulation on the 3D triangular lattice is effective method for RNA secondary structure prediction and lattice conformation reconstruction. The visualization software for the lattice conformations of RNA structures is a valuable tool for the study of RNA folding and is a great pedagogic device. PMID:19891777

  2. Experimental study of photonic crystal triangular lattices

    NASA Astrophysics Data System (ADS)

    Qin, Ruhu; Qin, Bo; Jin, Chongjun

    1999-06-01

    Triangular lattice photonic crystal behaving in the electromagnetic zones constructed from fused silica cylinders in styrofoam is fabricated. The transmission spectra of the photonic crystal with and without defects are measured. On this basis, the defect modes of photonic crystal were studied, and the potential applications of the photonic crystal are discussed.

  3. Ultracold quantum gases in triangular optical lattices

    NASA Astrophysics Data System (ADS)

    Becker, C.; Soltan-Panahi, P.; Kronjäger, J.; Dörscher, S.; Bongs, K.; Sengstock, K.

    2010-06-01

    Over recent years, exciting developments in the field of ultracold atoms confined in optical lattices have led to numerous theoretical proposals devoted to the quantum simulation of problems e.g. known from condensed matter physics. Many of those ideas demand experimental environments with non-cubic lattice geometries. In this paper, we report on the implementation of a versatile three-beam lattice allowing for the generation of triangular as well as hexagonal optical lattices. As an important step, the superfluid-Mott insulator (SF-MI) quantum phase transition has been observed and investigated in detail in this lattice geometry for the first time. In addition to this, we study the physics of spinor Bose-Einstein condensates (BEC) in the presence of the triangular optical lattice potential, especially spin changing dynamics across the SF-MI transition. Our results suggest that, below the SF-MI phase transition, a well-established mean-field model describes the observed data when renormalizing the spin-dependent interaction. Interestingly, this opens up new perspectives for a lattice-driven tuning of a spin dynamics resonance occurring through the interplay of the quadratic Zeeman effect and spin-dependent interaction. Finally, we discuss further lattice configurations that can be realized with our setup.

  4. Visualization of 3D optical lattices

    NASA Astrophysics Data System (ADS)

    Lee, Hoseong; Clemens, James

    2016-05-01

    We describe the visualization of 3D optical lattices based on Sisyphus cooling implemented with open source software. We plot the adiabatic light shift potentials found by diagonalizing the effective Hamiltonian for the light shift operator. Our program incorporates a variety of atomic ground state configurations with total angular momentum ranging from j = 1 / 2 to j = 4 and a variety of laser beam configurations including the two-beam lin ⊥ lin configuration, the four-beam umbrella configuration, and four beams propagating in two orthogonal planes. In addition to visualizing the lattice the program also evaluates lattice parameters such as the oscillation frequency for atoms trapped deep in the wells. The program is intended to help guide experimental implementations of optical lattices.

  5. Maximum independent set on diluted triangular lattices.

    PubMed

    Fay, C W; Liu, J W; Duxbury, P M

    2006-05-01

    Core percolation and maximum independent set on random graphs have recently been characterized using the methods of statistical physics. Here we present a statistical physics study of these problems on bond diluted triangular lattices. Core percolation critical behavior is found to be consistent with the standard percolation values, though there are strong finite size effects. A transfer matrix method is developed and applied to find accurate values of the density and degeneracy of the maximum independent set on lattices of limited width but large length. An extrapolation of these results to the infinite lattice limit yields high precision results, which are tabulated. These results are compared to results found using both vertex based and edge based local probability recursion algorithms, which have proven useful in the analysis of hard computational problems, such as the satisfiability problem. PMID:16803003

  6. Thermodynamic Properties in Triangular-Lattice Superconductors

    NASA Astrophysics Data System (ADS)

    Ma, Xixiao; Qin, Ling; Zhao, Huaisong; Lan, Yu; Feng, Shiping

    2016-06-01

    The study of superconductivity arising from doping a Mott insulator has become a central issue in the area of superconductivity. Within the framework of the kinetic-energy-driven superconducting (SC) mechanism, we discuss the thermodynamic properties in the triangular-lattice cobaltate superconductors. It is shown that a sharp peak in the specific heat appears at the SC transition temperature T_c, and then the specific heat varies exponentially as a function of temperature for temperatures T

  7. Sznajd Sociophysics Model on a Triangular Lattice

    NASA Astrophysics Data System (ADS)

    Chang, Iksoo

    The Sznajd sociophysics model is generalized on the triangular lattice with pure antiferromagnetic opinion and also with both ferromagnetic and antiferromagnetic opinions. The slogan of the trade union ``united we stand, divided we fall'' can be realized via the propagation of ferromagnetic opinion of adjacent people in the union, but the propagation of antiferromagnetic opinion can be observed among the third countries between two big super powers or among the family members of conflicting parents. Fixed points are found in both models. The distributions of relaxation time of the mixed model are dispersed and become closer to log-normal as the initial concentration of down spins approaches 0.5, whereas for pure antiferromagnetic spins, they are collapsed into one master curve, which is roughly log-normal. We do not see the phase transition in the model.

  8. Triangular framework mesh generation of 3D geological structure

    NASA Astrophysics Data System (ADS)

    Meng, Xianhai; Zhou, Kun; Li, Jigang; Yang, Qin

    2013-03-01

    The dynamic simulation of oil migration and accumulation is an important issue on the research of petroleum exploration, and it is a numerical simulation process with special requirement on the framework mesh of 3D geological models, which means that the mesh should have same geometry and topology relation near the intersected part of geological surfaces. In this paper, basing on the conforming Delaunay triangulation algorithm to construct mesh of individual geological stratum or fault, a novel link-Delaunay-triangulation method is presented to achieve the geometric and topological consistency in the intersected line between two surfaces, also with the analysis of termination of our algorithm. Finally, some examples of the geological framework mesh are provided and the experimental result proved that the algorithm's effectiveness in engineering practice.

  9. Mechanical Properties of 3-D Printed Cellular Foams with triangular cells

    NASA Astrophysics Data System (ADS)

    Bunga, Pratap Kumar

    In the present work, poly lactic acid (PLA) is used as a model system to investigate the mechanical behavior of 3-D printed foams with triangular cells. Solid PLA tension and compression specimens and foams made of PLA were fabricated using fused deposition 3-D printing technique. The solid PLA tension specimens were characterized for their densities and found to be about 10% lower in density as compared to their bulk counter parts. The triangular foams had a relative density of about 64%. The relationships between the structure of the foams and its deformation behavior under compression along two in-plane directions were characterized. Furthermore, simple finite element models were developed to understand the observed deformation behavior of triangular foams.

  10. Feature edge extraction from 3D triangular meshes using a thinning algorithm

    NASA Astrophysics Data System (ADS)

    Nomura, Masaru; Hamada, Nozomu

    2001-11-01

    Highly detailed geometric models, which are represented as dense triangular meshes are becoming popular in computer graphics. Since such 3D meshes often have huge information, we require some methods to treat them efficiently in the 3D mesh processing such as, surface simplification, subdivision surface, curved surface approximation and morphing. In these applications, we often extract features of 3D meshes such as feature vertices and feature edges in preprocessing step. An automatic extraction method of feature edges is treated in this study. In order to realize the feature edge extraction method, we first introduce the concavity and convexity evaluation value. Then the histogram of the concavity and convexity evaluation value is used to separate the feature edge region. We apply a thinning algorithm, which is used in 2D binary image processing. It is shown that the proposed method can extract appropriate feature edges from 3D meshes.

  11. Lattice Boltzmann Method for 3-D Flows with Curved Boundary

    NASA Technical Reports Server (NTRS)

    Mei, Renwei; Shyy, Wei; Yu, Dazhi; Luo, Li-Shi

    2002-01-01

    In this work, we investigate two issues that are important to computational efficiency and reliability in fluid dynamics applications of the lattice, Boltzmann equation (LBE): (1) Computational stability and accuracy of different lattice Boltzmann models and (2) the treatment of the boundary conditions on curved solid boundaries and their 3-D implementations. Three athermal 3-D LBE models (D3QI5, D3Ql9, and D3Q27) are studied and compared in terms of efficiency, accuracy, and robustness. The boundary treatment recently developed by Filippova and Hanel and Met et al. in 2-D is extended to and implemented for 3-D. The convergence, stability, and computational efficiency of the 3-D LBE models with the boundary treatment for curved boundaries were tested in simulations of four 3-D flows: (1) Fully developed flows in a square duct, (2) flow in a 3-D lid-driven cavity, (3) fully developed flows in a circular pipe, and (4) a uniform flow over a sphere. We found that while the fifteen-velocity 3-D (D3Ql5) model is more prone to numerical instability and the D3Q27 is more computationally intensive, the 63Q19 model provides a balance between computational reliability and efficiency. Through numerical simulations, we demonstrated that the boundary treatment for 3-D arbitrary curved geometry has second-order accuracy and possesses satisfactory stability characteristics.

  12. Mott Insulating Ground State on a Triangular Surface Lattice

    SciTech Connect

    Weitering, H.; Shi, X.; Weitering, H.; Johnson, P.; Chen, J.; DiNardo, N.; DiNardo, N.; Kempa, K.

    1997-02-01

    Momentum-resolved direct and inverse photoemission spectra of the K/Si(111)-({radical}(3){times}{radical}(3))R30{degree}-B interface reveals the presence of strongly localized surface states. The K overlayer remains nonmetallic up to the saturation coverage. This system most likely presents the first experimental realization of a frustrated spin 1/2 Heisenberg antiferromagnet on a two-dimensional triangular lattice. {copyright} {ital 1997} {ital The American Physical Society}

  13. Generic remeshing of 3D triangular meshes with metric-dependent discrete voronoi diagrams.

    PubMed

    Valette, Sebastien; Chassery, Jean Marc; Prost, Rémy

    2008-01-01

    In this paper, we propose a generic framework for 3D surface remeshing. Based on a metric-driven Discrete Voronoi Diagram construction, our output is an optimized 3D triangular mesh with a user defined vertex budget. Our approach can deal with a wide range of applications, from high quality mesh generation to shape approximation. By using appropriate metric constraints the method generates isotropic or anisotropic elements. Based on point-sampling, our algorithm combines the robustness and theoretical strength of Delaunay criteria with the efficiency of entirely discrete geometry processing . Besides the general described framework, we show experimental results using isotropic, quadric-enhanced isotropic and anisotropic metrics which prove the efficiency of our method on large meshes, for a low computational cost. PMID:18192716

  14. Supersolid Phase with Cold Polar Molecules on a Triangular Lattice

    SciTech Connect

    Pollet, L.; Picon, J. D.; Buechler, H. P.; Troyer, M.

    2010-03-26

    We study a system of heteronuclear molecules on a triangular lattice and analyze the potential of this system for the experimental realization of a supersolid phase. The ground state phase diagram contains superfluid, solid, and supersolid phases. At finite temperatures and strong interactions there is an additional emulsion region, in contrast with similar models with short-range interactions. We derive the maximal critical temperature T{sub c} and the corresponding entropy S/N=0.04(1) for supersolidity and find feasible experimental conditions for its realization.

  15. Low-cost Triangular Lattice Towers for Small Wind Turbines

    NASA Astrophysics Data System (ADS)

    Adhikari, Ram Chandra

    This thesis focuses on the study of low-cost steel and bamboo triangular lattice towers for small wind turbines. The core objective is to determine the material properties of bamboo and assess the feasibility of bamboo towers. Using the experimentally determined buckling resistance, elastic modulus, and Poisson's ratio, a 12 m high triangular lattice tower for a 500W wind turbine has been modeled as a tripod to formulate the analytical solutions for the stresses and tower deflections, which enables design of the tower based on buckling strength of tower legs. The tripod formulation combines the imposed loads, the base distance between the legs and tower height, and cross-sectional dimensions of the tower legs. The tripod model was used as a reference for the initial design of the bamboo tower and extended to finite element analysis. A 12 m high steel lattice tower was also designed for the same turbine to serve as a comparison to the bamboo tower. The primary result of this work indicates that bamboo is a valid structural material. The commercial software package ANSYS APDL was used to carry out the tower analysis, evaluate the validity of the tripod model, and extend the analysis for the tower design. For this purpose, a 12 m high steel lattice tower for a 500 W wind turbine was examined. Comparison of finite element analysis and analytical solution has shown that tripod model can be accurately used in the design of lattice towers. The tower designs were based on the loads and safety requirements of international standard for small wind turbine safety, IEC 61400-2. For connecting the bamboo sections in the lattice tower, a steel-bamboo adhesive joint combined with conventional lashing has been proposed. Also, considering the low durability of bamboo, periodic replacement of tower members has been proposed. The result of this study has established that bamboo could be used to construct cost-effective and lightweight lattice towers for wind turbines of 500 Watt

  16. Design of Chern and Mott insulators in buckled 3 d oxide honeycomb lattices

    NASA Astrophysics Data System (ADS)

    Doennig, David; Baidya, Santu; Pickett, Warren E.; Pentcheva, Rossitza

    2016-04-01

    Perovskite (La X O3 )2/(LaAlO3)4(111) superlattices with X spanning the entire 3 d transition-metal series combine the strongly correlated, multiorbital nature of electrons in transition-metal oxides with a honeycomb lattice as a key feature. Based on density functional theory calculations including strong interaction effects, we establish trends in the evolution of electronic states as a function of several control parameters: band filling, interaction strength, spin-orbit coupling (SOC), and lattice instabilities. Competition between local pseudocubic and global trigonal symmetry as well as the additional flexibility provided by the magnetic and spin degrees of freedom of 3 d ions lead to a broad array of distinctive broken-symmetry ground states not accessible for the (001)-growth direction, offering a platform to design two-dimensional electronic functionalities. Constraining the symmetry between the two triangular sublattices causes X =Mn , Co, and Ti to emerge as Chern insulators driven by SOC. For X =Mn we illustrate how interaction strength and lattice distortions can tune these systems between a Dirac semimetal, a Chern and a trivial Mott insulator.

  17. DC characterization and 3D modelling of a triangular, epoxy-impregnated high temperature superconducting coil

    NASA Astrophysics Data System (ADS)

    Hu, D.; Ainslie, M. D.; Rush, J. P.; Durrell, J. H.; Zou, J.; Raine, M. J.; Hampshire, D. P.

    2015-06-01

    The direct current (dc) characterization of high temperature superconducting (HTS) coils is important for applications, such as electric machines, superconducting magnetic energy storage and transformers. In this paper, the dc characterization of a triangular-shaped, epoxy-impregnated HTS coil wound with YBCO coated conductor intended for use in an axial-flux HTS motor is presented. Voltage was measured at several points along the coil to provide detailed information of its dc characteristics. The coil is modelled based on the H -formulation using a new three-dimensional (3D) technique that utilizes the real superconducting layer thickness, and this model allows simulation of the actual geometrical layout of the HTS coil structure. Detailed information on the critical current density’s dependence on the magnitude and orientation of the magnetic flux density, Jc(B,θ), determined from experimental measurement of a short sample of the coated conductor comprising the coil is included directly in the numerical model by a two-variable direct interpolation to avoid developing complicated equations for data fitting and greatly improve the computational speed. Issues related to meshing the finite elements of the real thickness 3D model are also discussed in detail. Based on a comparison of the measurement and simulation results, it is found that non-uniformity along the length exists in the coil, which implies imperfect superconducting properties in the coated conductor, and hence, coil. By evaluating the current-voltage (I-V) curves using the experimental data, and after taking into account a more practical n value and critical current for the non-uniform region, the modelling results show good agreement with the experimental results, validating this model as an appropriate tool to estimate the dc I-V relationship of a superconducting coil. This work provides a further step towards effective and efficient 3D modelling of superconducting devices for large

  18. Quantum Paramagnet in a π Flux Triangular Lattice Hubbard Model.

    PubMed

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-04-24

    We propose the π flux triangular lattice Hubbard model (π THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π THM that we identify for intermediate Hubbard U is framed by a Dirac semimetal for weak coupling and by 120° Néel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π THM maps to a Hubbard model which corresponds to the (J_{H},J_{K})=(-1,2) Heisenberg-Kitaev model in its strong coupling limit. The π THM provides a promising microscopic testing ground for exotic finite-U spin liquid ground states amenable to numerical investigation. PMID:25955072

  19. Spin Fluctuations from Hertz to Terahertz on a Triangular Lattice.

    PubMed

    Nambu, Yusuke; Gardner, Jason S; MacLaughlin, Douglas E; Stock, Chris; Endo, Hitoshi; Jonas, Seth; Sato, Taku J; Nakatsuji, Satoru; Broholm, Collin

    2015-09-18

    The temporal magnetic correlations of the triangular-lattice antiferromagnet NiGa_{2}S_{4} are examined through 13 decades (10^{-13}-1 sec) using ultrahigh-resolution inelastic neutron scattering, muon spin relaxation, and ac and nonlinear susceptibility measurements. Unlike the short-ranged spatial correlations, the temperature dependence of the temporal correlations show distinct anomalies. The spin fluctuation rate decreases precipitously upon cooling towards T^{*}=8.5 K, but fluctuations on the microsecond time scale then persist in an anomalous dynamical regime for 4 K

  20. Spin Liquid in the Triangular Lattice Heisenberg Model

    NASA Astrophysics Data System (ADS)

    McCulloch, Ian; Saadatmand, Seyed

    We report the results of a large-scale numerical study of the spin-1/2 Heisenberg model on the triangular lattice, with nearest- and next-nearest neighbor interactions. Using SU(2)-invariant iDMRG for infinite cylinders, we focus on the YC12 structure (with a circumference of 12 sites), and obtain 4 candidate groundstates, corresponding to even/odd spinon sectors, each with linear and projective representations of the cylinder geometry. The momentum-resolved entanglement spectrum reveals the structure of the low-lying spinon excitations. Contrary to some recent works, we find no evidence for chiral symmetry breaking. Supported by the ARC Centre for Engineered Quantum Systems.

  1. Triangular lattice of carbon nanotube arrays for negative index of refraction and subwavelength lensing effect

    SciTech Connect

    Wang, Y.; Wang, X.; Rybczynski, J.; Wang, D.Z.; Kempa, K.; Ren, Z.F.

    2005-04-11

    Self-assembly of polystyrene microspheres has been utilized in a two-step masking technique to prepare triangular lattices of catalytic nanodots at low cost. Subsequent triangular lattices of aligned carbon nanotubes on a silicon substrate are achieved by plasma-enhanced chemical vapor deposition. Nickel is used both in the nanodots and in the secondary mask. The triangular lattices of carbon nanotube arrays as two-dimensional photonic crystals show higher geometrical symmetry than the hexagonal lattices previously reported, enabling broader applications including negative index of refraction and subwavelength lensing effect.

  2. Design of Mott and topological phases on buckled 3d-oxide honeycomb lattices

    NASA Astrophysics Data System (ADS)

    Pentcheva, Rossitza

    The honeycomb lattice, as realized e.g. in graphene, has rendered a robust platform for innovative science and potential applications. A much richer generalization of this lattice arises in (111)-oriented bilayers of perovskites, adding the complexity of the strongly correlated, multiorbital nature of electrons in transition metal oxides. Based on first principles calculations with an on-site Coulomb repulsion, here we provide trends in the evolution of ground states versus band filling in (111)-oriented (La XO3)2 /(LaAlO3)4 superlattices, with X spanning the entire 3d transition metal series. The competition between local quasi-cubic and global triangular symmetry triggers unanticipated broken symmetry phases, with mechanisms ranging from Jahn-Teller distortion, to charge-, spin-, and orbital-ordering. LaMnO3 and LaCoO3 bilayers, where spin-orbit coupling opens a sizable gap in the Dirac-point Fermi surface, emerge as much desired oxide-based Chern insulators, the latter displaying a gap capable of supporting room-temperature applications Further realizations of the honeycomb lattice and geometry patterns beyond the perovskite structure will be addressed. Research supported by the DFG, SFB/TR80.

  3. Quantum electric-dipole liquid on a triangular lattice

    PubMed Central

    Shen, Shi-Peng; Wu, Jia-Chuan; Song, Jun-Da; Sun, Xue-Feng; Yang, Yi-Feng; Chai, Yi-Sheng; Shang, Da-Shan; Wang, Shou-Guo; Scott, James F.; Sun, Young

    2016-01-01

    Geometric frustration and quantum fluctuations may prohibit the formation of long-range ordering even at the lowest temperature, and therefore liquid-like ground states could be expected. A good example is the quantum spin liquid in frustrated magnets. Geometric frustration and quantum fluctuations can happen beyond magnetic systems. Here we propose that quantum electric-dipole liquids, analogues of quantum spin liquids, could emerge in frustrated dielectrics where antiferroelectrically coupled electric dipoles reside on a triangular lattice. The quantum paraelectric hexaferrite BaFe12O19 with geometric frustration represents a promising candidate for the proposed electric-dipole liquid. We present a series of experimental lines of evidence, including dielectric permittivity, heat capacity and thermal conductivity measured down to 66 mK, to reveal the existence of an unusual liquid-like quantum phase in BaFe12O19, characterized by itinerant low-energy excitations with a small gap. The possible quantum liquids of electric dipoles in frustrated dielectrics open up a fresh playground for fundamental physics. PMID:26843363

  4. Agglomerative percolation on the Bethe lattice and the triangular cactus

    NASA Astrophysics Data System (ADS)

    Chae, Huiseung; Yook, Soon-Hyung; Kim, Yup

    2013-08-01

    Agglomerative percolation (AP) on the Bethe lattice and the triangular cactus is studied to establish the exact mean-field theory for AP. Using the self-consistent simulation method based on the exact self-consistent equations, the order parameter P∞ and the average cluster size S are measured. From the measured P∞ and S, the critical exponents βk and γk for k = 2 and 3 are evaluated. Here, βk and γk are the critical exponents for P∞ and S when the growth of clusters spontaneously breaks the Zk symmetry of the k-partite graph. The obtained values are β2 = 1.79(3), γ2 = 0.88(1), β3 = 1.35(5) and γ3 = 0.94(2). By comparing these exponents with those for ordinary percolation (β∞ = 1 and γ∞ = 1), we also find β∞ < β3 < β2 and γ∞ > γ3 > γ2. These results quantitatively verify the conjecture that the AP model belongs to a new universality class if the Zk symmetry is broken spontaneously, and the new universality class depends on k.

  5. Quantum electric-dipole liquid on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Shen, Shi-Peng; Wu, Jia-Chuan; Song, Jun-Da; Sun, Xue-Feng; Yang, Yi-Feng; Chai, Yi-Sheng; Shang, Da-Shan; Wang, Shou-Guo; Scott, James F.; Sun, Young

    2016-02-01

    Geometric frustration and quantum fluctuations may prohibit the formation of long-range ordering even at the lowest temperature, and therefore liquid-like ground states could be expected. A good example is the quantum spin liquid in frustrated magnets. Geometric frustration and quantum fluctuations can happen beyond magnetic systems. Here we propose that quantum electric-dipole liquids, analogues of quantum spin liquids, could emerge in frustrated dielectrics where antiferroelectrically coupled electric dipoles reside on a triangular lattice. The quantum paraelectric hexaferrite BaFe12O19 with geometric frustration represents a promising candidate for the proposed electric-dipole liquid. We present a series of experimental lines of evidence, including dielectric permittivity, heat capacity and thermal conductivity measured down to 66 mK, to reveal the existence of an unusual liquid-like quantum phase in BaFe12O19, characterized by itinerant low-energy excitations with a small gap. The possible quantum liquids of electric dipoles in frustrated dielectrics open up a fresh playground for fundamental physics.

  6. Extended particle swarm optimisation method for folding protein on triangular lattice.

    PubMed

    Guo, Yuzhen; Wu, Zikai; Wang, Ying; Wang, Yong

    2016-02-01

    In this study, the authors studied the protein structure prediction problem by the two-dimensional hydrophobic-polar model on triangular lattice. Particularly the non-compact conformation was modelled to fold the amino acid sequence into a relatively larger triangular lattice, which is more biologically realistic and significant than the compact conformation. Then protein structure prediction problem was abstracted to match amino acids to lattice points. Mathematically, the problem was formulated as an integer programming and they transformed the biological problem into an optimisation problem. To solve this problem, classical particle swarm optimisation algorithm was extended by the single point adjustment strategy. Compared with square lattice, conformations on triangular lattice are more flexible in several benchmark examples. They further compared the authors' algorithm with hybrid of hill climbing and genetic algorithm. The results showed that their method was more effective in finding solution with lower energy and less running time. PMID:26816397

  7. Multiple-Relaxation-Time Lattice Boltzmann Models in 3D

    NASA Technical Reports Server (NTRS)

    dHumieres, Dominique; Ginzburg, Irina; Krafczyk, Manfred; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    This article provides a concise exposition of the multiple-relaxation-time lattice Boltzmann equation, with examples of fifteen-velocity and nineteen-velocity models in three dimensions. Simulation of a diagonally lid-driven cavity flow in three dimensions at Re=500 and 2000 is performed. The results clearly demonstrate the superior numerical stability of the multiple-relaxation-time lattice Boltzmann equation over the popular lattice Bhatnagar-Gross-Krook equation.

  8. Triangular step instability and 2D/3D transition during the growth of strained Ge films on Si(100)

    SciTech Connect

    Chen, K.M.; Jesson, D.E.; Pennycook, S.J.; Mostoller, M.; Kaplan, T.; Thundat, T.; Warmack, R.J.

    1995-04-01

    We show that an activation energy barrier exists to the formation of wavy step edges due to stress-driven 2D instability. The barrier height and the barrier width depend sensitively on the surface stress anisotropy and step free energy. The large misfit strain of Ge films significantly reduces the barrier by lowering the S{sub B} step energy, inducing S{sub A} steps to undergo a triangular instability even during low temperature growth of Ge on Si(100). The step instability results in a novel arrangement of stress domains, and the interaction between the domains causes a spatial variation of surface strain with a surprisingly large influence on the energy barrier for island nucleation. Calculations indicate a dramatic enhancement in the nucleation of 3D islands at the apex regions of triangular steps, in good agreement with our experimental measurements.

  9. Modeling of Triangular Lattice Space Structures with Curved Battens

    NASA Technical Reports Server (NTRS)

    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.

  10. Local rules for protein folding on a triangular lattice and generalized hydrophobicity in the HP model

    SciTech Connect

    Agarwala, R.; Batzoglou, S.; Dancik, V.

    1997-06-01

    We consider the problem of determining the three-dimensional folding of a protein given its one-dimensional amino acid sequence. We use the HP model for protein folding proposed by Dill, which models protein as a chain of amino acid residues that are either hydrophobic or polar, and hydrophobic interactions are the dominant initial driving force for the protein folding. Hart and Istrail gave approximation algorithms for folding proteins on the cubic lattice under HP model. In this paper, we examine the choice of a lattice by considering its algorithmic and geometric implications and argue that triangular lattice is a more reasonable choice. We present a set of folding rules for a triangular lattice and analyze the approximation ratio which they achieve. In addition, we introduce a generalization of the HP model to account for residues having different levels of hydrophobicity. After describing the biological foundation for this generalization, we show that in the new model we are able to achieve similar constant factor approximation guarantees on the triangular lattice as were achieved in the standard HP model. While the structures derived from our folding rules are probably still far from biological reality, we hope that having a set of folding rules with different properties will yield more interesting folds when combined.

  11. Z2-vortex lattice in the ground state of the triangular Kitaev-Heisenberg model

    NASA Astrophysics Data System (ADS)

    Daghofer, Maria; Rousochatzakis, Ioannis; Roessler, Ulrich K.; van den Brink, Jeroen

    2013-03-01

    Investigating the classical Kitaev-Heisenberg Hamiltonian on a triangular lattice, we establish the presence of an incommensurate non-coplanar magnetic phase, which is identified as a lattice of Z2 vortices. The vortices, topological point defects in the SO(3) order parameter of the nearby Heisenberg antiferromagnet, are not thermally excited but due to the spin-orbit coupling and arise at temperature T --> 0 . This Z2-vortex lattice is stable in a parameter regime relevant to iridates. We show that in the other, strongly anisotropic, limit a robust nematic phase emerges. Sponsored by the DFG (Emmy-Noether program).

  12. A lattice-Boltzmann scheme of the Navier-Stokes equations on a 3D cuboid lattice

    NASA Astrophysics Data System (ADS)

    Min, Haoda; Peng, Cheng; Wang, Lian-Ping

    2015-11-01

    The standard lattice-Boltzmann method (LBM) for fluid flow simulation is based on a square (in 2D) or cubic (in 3D) lattice grids. Recently, two new lattice Boltzmann schemes have been developed on a 2D rectangular grid using the MRT (multiple-relaxation-time) collision model, by adding a free parameter in the definition of moments or by extending the equilibrium moments. Here we developed a lattice Boltzmann model on 3D cuboid lattice, namely, a lattice grid with different grid lengths in different spatial directions. We designed our MRT-LBM model by matching the moment equations from the Chapman-Enskog expansion with the Navier-Stokes equations. The model guarantees correct hydrodynamics. A second-order term is added to the equilibrium moments in order to restore the isotropy of viscosity on a cuboid lattice. The form and the coefficients of the extended equilibrium moments are determined through an inverse design process. An additional benefit of the model is that the viscosity can be adjusted independent of the stress-moment relaxation parameter, thus improving the numerical stability of the model. The resulting cuboid MRT-LBM model is then validated through benchmark simulations using laminar channel flow, turbulent channel flow, and the 3D Taylor-Green vortex flow.

  13. Twisted 3D N=4 supersymmetric YM on deformed A{sub 3}{sup *} lattice

    SciTech Connect

    Saidi, El Hassan

    2014-01-15

    We study a class of twisted 3D N=4 supersymmetric Yang-Mills (SYM) theory on particular 3-dimensional lattice L{sub 3D} formally denoted as L{sub 3D}{sup su{sub 3}×u{sub 1}} and given by non-trivial fibration L{sub 1D}{sup u{sub 1}}×L{sub 2D}{sup su{sub 3}} with base L{sub 2D}{sup su{sub 3}}=A{sub 2}{sup *}, the weight lattice of SU(3). We first, develop the twisted 3D N=4 SYM in continuum by using superspace method where the scalar supercharge Q is manifestly exhibited. Then, we show how to engineer the 3D lattice L{sub 3D}{sup su{sub 3}×u{sub 1}} that host this theory. After that we build the lattice action S{sub latt} invariant under the following three points: (i) U(N) gauge invariance, (ii) BRST symmetry, (iii) the S{sub 3} point group symmetry of L{sub 3D}{sup su{sub 3}×u{sub 1}}. Other features such as reduction to twisted 2D supersymmetry with 8 supercharges living on L{sub 2D}≡L{sub 2D}{sup su{sub 2}×u{sub 1}}, the extension to twisted maximal 5D SYM with 16 supercharges on lattice L{sub 5D}≡L{sub 5D}{sup su{sub 4}×u{sub 1}} as well as the relation with known results are also given.

  14. The Quantum Dynamics of a Dilute Gas in a 3D BCC Optical Lattice

    NASA Astrophysics Data System (ADS)

    Reichl, Linda; Boretz, Yingyue

    2015-03-01

    The classical and quantum dynamics of a dilute gas of rubidium atoms, in a 3D body-centered cubic optical lattice, is studied for a range of polarizations of the laser beams forming the lattice. The relative polarization of the lasers determines the the structure of the potential energy seen by the rubidium atoms. If three pairs of in-phase mutually perpendicular laser beams, with the same wavelength, form the lattice, only a limited range of possible couplings can be realized in the lab. We have determined the band structure of the BCC optical lattice for all theoretically possible couplings, and find that the band structure for lattices realizable in the lab, differs significantly from that expected for a BCC crystal. As coupling is increased, the lattice becomes increasingly chaotic and it becomes possible to produce band structure that has qualitative similarity to a BCC. Welch Foundation

  15. Symmetric Z2 spin liquids and their neighboring phases on triangular lattice

    NASA Astrophysics Data System (ADS)

    Lu, Yuan-Ming

    2016-04-01

    Motivated by recent numerical discovery of a gapped spin liquid phase in spin-1 /2 triangular-lattice J1-J2 Heisenberg model, we classify symmetric Z2 spin liquids on triangular lattice in the Abrikosov-fermion representation. We find 20 phases with distinct spinon symmetry quantum numbers, eight of which have their counterparts in the Schwinger-boson representation. Among them we identify two promising candidates (#1 and #20), which can realize a gapped Z2 spin liquid with up to next nearest neighbor mean-field amplitudes. We analyze their neighboring magnetic orders and valence bond solid patterns, and find one state (#20) that is connected to 120-degree Neel order by a continuous quantum phase transition. We also identify gapped nematic Z2 spin liquids in the neighborhood of the symmetric states and find three promising candidates (#1, #6, and #20).

  16. Light trapping at Dirac point in 2D triangular Archimedean-like lattice photonic crystal.

    PubMed

    Mao, Qiuping; Xie, Kang; Hu, Lei; Li, Qian; Zhang, Wei; Jiang, Haiming; Hu, Zhijia; Wang, Erlei

    2016-04-20

    Optical cavities and waveguides are critical parts of modern optical devices. Traditionally, optical cavities and waveguides rely on photonic bandgaps, or total internal reflection, to achieve light trapping. It has been reported that a novel light trapping, which exists in triangular and honeycomb lattices, is attributed to the so-called Dirac point. Our analysis reveals that 2D triangular Archimedean-like lattice photonic crystals also can support this Dirac mode with similar characteristics. This is a new type of localized mode with a different algebraic field profile at a different specified Dirac frequency, which is also beyond any complete photonic bandgap. The new wave localization has different features and can be applied to the design of new optical devices. PMID:27140119

  17. Spin-Chirality-Driven Ferroelectricity on a Perfect Triangular Lattice Antiferromagnet

    SciTech Connect

    Mitamura, H.; Watanuki, R.; Kaneko, Koji; Onozaki, N.; Amou, Y.; Kittaka, S.; Kobayashi, Riki; Shimura, Y.; Yamamoto, I.; Suzuki, K.; Chi, Songxue; Sakakibara, T.

    2014-10-01

    Magnetic field (B) variation of the electrical polarization Pc ( ∥c) of the perfect triangular lattice antiferromagnet RbFe(MoO4)2 is examined up to the saturation point of the magnetization for B⊥c. Pc is observed only in phases for which chirality is predicted in the in-plane magnetic structures. No strong anomaly is observed in Pc at the field at which the spin modulation along the c axis, and hence the spin helicity, exhibits a discontinuity to the commensurate state. These results indicate that the ferroelectricity in this compound originates predominantly from the spin chirality, the explanation of which would require a new mechanism for magnetoferroelectricity. Lastly, the obtained field-temperature phase diagrams of ferroelectricity well agree with those theoretically predicted for the spin chirality of a Heisenberg spin triangular lattice antiferromagnet.

  18. Spin-Chirality-Driven Ferroelectricity on a Perfect Triangular Lattice Antiferromagnet

    DOE PAGESBeta

    Mitamura, H.; Watanuki, R.; Kaneko, Koji; Onozaki, N.; Amou, Y.; Kittaka, S.; Kobayashi, Riki; Shimura, Y.; Yamamoto, I.; Suzuki, K.; et al

    2014-10-01

    Magnetic field (B) variation of the electrical polarization Pc ( ∥c) of the perfect triangular lattice antiferromagnet RbFe(MoO4)2 is examined up to the saturation point of the magnetization for B⊥c. Pc is observed only in phases for which chirality is predicted in the in-plane magnetic structures. No strong anomaly is observed in Pc at the field at which the spin modulation along the c axis, and hence the spin helicity, exhibits a discontinuity to the commensurate state. These results indicate that the ferroelectricity in this compound originates predominantly from the spin chirality, the explanation of which would require a newmore » mechanism for magnetoferroelectricity. Lastly, the obtained field-temperature phase diagrams of ferroelectricity well agree with those theoretically predicted for the spin chirality of a Heisenberg spin triangular lattice antiferromagnet.« less

  19. Topological phase transitions on a triangular optical lattice with non-Abelian gauge fields

    NASA Astrophysics Data System (ADS)

    Iskin, M.

    2016-03-01

    We study the mean-field BCS-BEC evolution of a uniform Fermi gas on a single-band triangular lattice and construct its ground-state phase diagrams, showing a wealth of topological quantum phase transitions between gapped and gapless superfluids that are induced by the interplay of an out-of-plane Zeeman field and a generic non-Abelian gauge field.

  20. Increasing the filling of ultracold KRb molecules in a 3D optical lattice

    NASA Astrophysics Data System (ADS)

    Moses, Steven; Covey, Jacob; Gadway, Bryce; Yan, Bo; Miecnikowski, Matthew; Ye, Jun; Jin, Deborah

    2015-05-01

    Ultracold polar molecules, with their long-range electric dipolar interactions, offer new opportunities for studying quantum magnetism and many-body physics. Recently, our group observed spin exchange interactions between KRb molecules in a 3D optical lattice, which is one of the first steps towards studying lattice spin models with polar molecules. The lattice fillings were about 10% or less in these experiments. Future experiments will benefit greatly from lower entropies and higher lattice fillings. Here, we have investigated the molecular creation process in a 3D optical lattice with the goal of maximizing the filling fraction. We start by loading a BEC of Rb and a degenerate Fermi gas of K into a 3D optical lattice. In the absence of K, Rb is a Mott insulator. We study how the Mott insulator and the filling of Rb are affected by the presence of K and develop a strategy to maintain high Rb filling throughout the molecule production process. We also find that we can convert a large fraction of these Rb to molecules when we operate with low Rb numbers. We acknowledge funding from DARPA, DOE, NIST, NSF, AFOSR, and the NDSEG Graduate Fellowship.

  1. Ising antiferromagnet on a finite triangular lattice with free boundary conditions

    NASA Astrophysics Data System (ADS)

    Kim, Seung-Yeon

    2015-11-01

    The exact integer values for the density of states of the Ising model on an equilateral triangular lattice with free boundary conditions are evaluated up to L = 24 spins on a side for the first time by using the microcanonical transfer matrix. The total number of states is 2 N s = 2300 ≈ 2.037 × 1090 for L = 24, where N s = L( L+1)/2 is the number of spins. Classifying all 2300 spin states according to their energy values is an enormous work. From the density of states, the exact partition function zeros in the complex temperature plane of the triangular-lattice Ising model are evaluated. Using the density of states and the partition function zeros, we investigate the properties of the triangularlattice Ising antiferromagnet. The scaling behavior of the ground-state entropy and the form of the correlation length at T = 0 are studied for the triangular-lattice Ising antiferromagnet with free boundary conditions. Also, the scaling behavior of the Fisher edge singularity is investigated.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

    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.

  3. Ferromagnetism and d+id superconductivity in 1/2 doped correlated systems on triangular lattice

    NASA Astrophysics Data System (ADS)

    Ye, Bing; Mesaros, Andrej; Ran, Ying

    We investigate the quantum phase diagrams of t-J model on triangular lattice at 1/2 doping with various lattice sizes by using a combination of density matrix renormalization group (DMRG), variational Monte Carlo and quantum field theories. To sharply distinguish different phases, we calculated the symmetry quantum numbers of the ground state wave functions, and the results are further confirmed by looking into correlation functions. Our results show there is a first order phase transition from ferromagnetism to d+id superconductor, with the transition taking place at J / t = 0 . 4 +/- 0 . 2 .

  4. Hofstadter problem on the honeycomb and triangular lattices: Bethe ansatz solution

    NASA Astrophysics Data System (ADS)

    Kohmoto, M.; Sedrakyan, A.

    2006-06-01

    We consider Bloch electrons on the honeycomb lattice under a uniform magnetic field with 2πp/q flux per cell. It is shown that the problem factorizes to two triangular lattices. Treating magnetic translations as a Heisenberg-Weyl group and by the use of its irreducible representation on the space of theta functions, we find a nested set of Bethe equations, which determine the eigenstates and energy spectrum. The Bethe equations have simple form which allows us to consider them further in the limit p,q→∞ by the technique of thermodynamic Bethe ansatz and analyze the Hofstadter problem for the irrational flux.

  5. Exact results for the site-dilute antiferromagnetic Ising model on finite triangular lattices

    NASA Astrophysics Data System (ADS)

    Farach, H. A.; Creswick, R. J.; Poole, C. P., Jr.

    1988-04-01

    Exact analytical and numerical results for the site-diluted antiferromagnetic Ising model on the triangular lattice (AFIT) are presented. For infinitesimal dilution the change in the free energy of the system is related to the distribution of local fields, and it is shown that for a frustrated system such as the AFIT, dilution lowers the entropy per spin. For lattices of finite size and dilution the transfer matrix for the partition function is evaluated numerically. The entropy per spin shows a marked minimum near a concentration of spins x=0.70, in some disagreement with earlier transfer-matrix results.

  6. Spontaneous formation of kagome network and Dirac half-semimetal on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Akagi, Yutaka; Motome, Yukitoshi

    2015-04-01

    In spin-charge coupled systems, geometrical frustration of underlying lattice structures can give rise to nontrivial magnetic orders and electronic states. Here we explore such a possibility in the Kondo lattice model with classical localized spins on a triangular lattice by using a variational calculation and simulated annealing. We find that the system exhibits a four-sublattice collinear ferrimagnetic phase at 5/8 filling for a large Hund's-rule coupling. In this state, the system spontaneously differentiates into the up-spin kagome network and the isolated down-spin sites, which we call the kagome network formation. In the kagome network state, the system becomes Dirac half-semimetallic: The electronic structure shows a massless Dirac node at the Fermi level, and the Dirac electrons are almost fully spin polarized due to the large Hund's-rule coupling. We also study the effect of off-site Coulomb repulsion in the kagome network phase where the system is effectively regarded as a 1/3-filling spinless fermion system on the kagome lattice. We find that, at the level of the mean-field approximation, a √{3 }×√{3 } -type charge order occurs in the kagome network state, implying the possibility of fractional charge excitations in this triangular lattice system. Moreover, we demonstrate that the kagome network formation with fully polarized Dirac electrons are controllable by an external magnetic field.

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

    NASA Astrophysics Data System (ADS)

    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.

  8. Increasing the filling fraction of ultracold polar KRb molecules in a 3D optical lattice

    NASA Astrophysics Data System (ADS)

    Moses, Steven; Gadway, Bryce; Yan, Bo; Covey, Jacob; Jin, Deborah; Ye, Jun

    2013-05-01

    Gases of ultracold polar molecules with sufficiently low entropy are an ideal experimental scenario to look for signatures of long-range many-body interactions. Having a high filling fraction in a 3D lattice is one way to achieve a low entropy state. In earlier work, we showed that preformed pairs of K and Rb in a 3D lattice (sites that have exactly one K and one Rb) are converted to KRb Feshbach molecules with nearly 100% efficiency. Since the STIRAP transfer from Feshbach molecules to ground-state molecules is 90-100% efficient, loading a 3D lattice with a large fraction of preformed pairs will lead to a large filling fraction of ground-state molecules. Our scheme is to load a Mott insulator of Rb and band insulator of K. After we have loaded a lattice with a high filling fraction, we will investigate effects of dipolar interactions in a many-body system. We acknowledge funding from NIST, NSF, AFOSR-MURI, and the NDSEG Graduate Fellowship.

  9. Partially disordered state and spin-lattice coupling in an S=3/2 triangular lattice antiferromagnet Ag2CrO2

    SciTech Connect

    Matsuda, Masaaki; Yoshida, H.; Isobe, M.; De la cruz, Clarina; Fishman, Randy Scott

    2012-01-01

    Ag{sub 2}CrO{sub 2} is an S = 3/2 frustrated triangular lattice antiferromagnet without an orbital degree of freedom. With decreasing temperature, a four-sublattice spin state develops. However, a long-range partially disordered state with five sublattices abruptly appears at T{sub N} = 24 K, accompanied by a structural distortion, and persists at least down to 2 K. The spin-lattice coupling stabilizes the anomalous state, which is expected to appear only in limited ranges of further-neighbor interactions and temperature. It was found that the spin-lattice coupling is a common feature in triangular lattice antiferromagnets with multiple-sublattice spin states, since the triangular lattice is elastic.

  10. Multicritical point of Ising spin glasses on triangular and honeycomb lattices

    NASA Astrophysics Data System (ADS)

    de Queiroz, S. L. A.

    2006-02-01

    The behavior of two-dimensional Ising spin glasses at the multicritical point on triangular and honeycomb lattices is investigated with the help of finite-size scaling and conformal-invariance concepts. We use transfer-matrix methods on long strips to calculate domain-wall energies, uniform susceptibilities, and spin-spin correlation functions. Accurate estimates are provided for the location of the multicritical point on both lattices, which lend strong support to a conjecture recently advanced by Takeda, Sasamoto, and Nishimori. Correlation functions are shown to obey rather strict conformal-invariance requirements, once suitable adaptations are made to account for geometric aspects of the transfer-matrix description of triangular and honeycomb lattices. The universality class of critical behavior upon crossing the ferro-para-magnetic phase boundary is probed, with the following estimates for the associated critical indices: ν=1.49(2) , γ=2.71(4) , η1=0.183(3) , which are distinctly different from the percolation values.

  11. Global Stability and the Magnetic Phase Diagram of a Geometrically-Frustrated Triangular Lattice Antiferromagnet

    SciTech Connect

    Fishman, Randy Scott; Haraldsen, Jason T

    2011-01-01

    While a magnetic phase may be both locally stable and globally unstable, global stability always implies local stability. The distinction between local and global stability is studied on a geometrically-frustrated triangular lattice antiferromagnet with easy axis, single-ion anisotropy D along the z axis. Whereas the critical value Dloc c for local stability may be discontinuous across a phase boundary, the critical value Dglo c Dloc c for global stability must be continuous. We demonstrate this behavior across the phase boundary between collinear 3 and 4 sublattice phases that are stable for large D.

  12. Topological Aspects of Symmetry Breaking in Triangular-Lattice Ising Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Smerald, Andrew; Korshunov, Sergey; Mila, Frédéric

    2016-05-01

    Using a specially designed Monte Carlo algorithm with directed loops, we investigate the triangular lattice Ising antiferromagnet with coupling beyond the nearest neighbors. We show that the first-order transition from the stripe state to the paramagnet can be split, giving rise to an intermediate nematic phase in which algebraic correlations coexist with a broken symmetry. Furthermore, we demonstrate the emergence of several properties of a more topological nature such as fractional edge excitations in the stripe state, the proliferation of double domain walls in the nematic phase, and the Kasteleyn transition between them. Experimental implications are briefly discussed.

  13. Numerical simulation of polarization beam splitter with triangular lattice of multi-walled carbon nanotube arrays

    NASA Astrophysics Data System (ADS)

    Wu, Xingxing; Yun, Maojin; Wang, Mei; Liu, Chao; Li, Kai; Qin, Xiheng; Kong, Weijin; Dong, Lifeng

    2015-12-01

    A kind of polarization beam splitter with triangular lattice of multi-walled carbon nanotube arrays is designed and simulated. In the employed structure transverse-electric (TE) light is confined in the line defect with photonic band gap effect, while transverse-magnetic (TM) light is guided through it with extremely low diffraction. The performance of the designed polarization beam splitter is evaluated by utilizing optical properties of multi-walled carbon nanotubes, finite element modeling of wave propagation and transmission through periodic arrays. Simulation results indicate that the designed polarization beam splitter has low loss and less cross talk, and thereby may have practical applications in the integrated optical field.

  14. Phase Diagram of a Geometrically-Frustrated Triangular-Lattice Antiferromagnet in a Magnetic Field

    SciTech Connect

    Fishman, Randy Scott

    2011-01-01

    The magnetic phase diagram of a geometrically-frustrated triangular-lattice antiferromagnet is evaluated as a function of external magnetic field and anisotropy using a trial spin state built from harmonics of a fundamental ordering wavevector. A non-collinear incommensurate state, observed to be chiral and ferroelectric in CuFeO2, is sandwiched between a collinear state with 4 sublattices (SLs) and a 5-SL state. Chiral and non-collinear 5-SL states are predicted to appear at fields above and below the collinear 5-SL states.

  15. Enhanced hybrid search algorithm for protein structure prediction using the 3D-HP lattice model.

    PubMed

    Zhou, Changjun; Hou, Caixia; Zhang, Qiang; Wei, Xiaopeng

    2013-09-01

    The problem of protein structure prediction in the hydrophobic-polar (HP) lattice model is the prediction of protein tertiary structure. This problem is usually referred to as the protein folding problem. This paper presents a method for the application of an enhanced hybrid search algorithm to the problem of protein folding prediction, using the three dimensional (3D) HP lattice model. The enhanced hybrid search algorithm is a combination of the particle swarm optimizer (PSO) and tabu search (TS) algorithms. Since the PSO algorithm entraps local minimum in later evolution extremely easily, we combined PSO with the TS algorithm, which has properties of global optimization. Since the technologies of crossover and mutation are applied many times to PSO and TS algorithms, so enhanced hybrid search algorithm is called the MCMPSO-TS (multiple crossover and mutation PSO-TS) algorithm. Experimental results show that the MCMPSO-TS algorithm can find the best solutions so far for the listed benchmarks, which will help comparison with any future paper approach. Moreover, real protein sequences and Fibonacci sequences are verified in the 3D HP lattice model for the first time. Compared with the previous evolutionary algorithms, the new hybrid search algorithm is novel, and can be used effectively to predict 3D protein folding structure. With continuous development and changes in amino acids sequences, the new algorithm will also make a contribution to the study of new protein sequences. PMID:23824509

  16. Comparable studies of magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices

    NASA Astrophysics Data System (ADS)

    Masrour, R.; Jabar, A.; Benyoussef, A.; Hamedoun, M.

    2016-07-01

    In this work, we have studied and compared the magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices using the Monte Carlo simulations. The transition temperature of the two-dimensional decorated square and triangular lattices has been obtained. The effect of the exchange interactions and crystal field on the magnetization is investigated. The magnetic coercive field and saturation magnetization of the two-dimensional decorated square and triangular lattices have been obtained.

  17. Hexagonal RMnO3: a model system for two-dimensional triangular lattice antiferromagnets.

    PubMed

    Sim, Hasung; Oh, Joosung; Jeong, Jaehong; Le, Manh Duc; Park, Je Geun

    2016-02-01

    The hexagonal RMnO3(h-RMnO3) are multiferroic materials, which exhibit the coexistence of a magnetic order and ferroelectricity. Their distinction is in their geometry that both results in an unusual mechanism to break inversion symmetry and also produces a two-dimensional triangular lattice of Mn spins, which is subject to geometrical magnetic frustration due to the antiferromagnetic interactions between nearest-neighbor Mn ions. This unique combination makes the h-RMnO3 a model system to test ideas of spin-lattice coupling, particularly when both the improper ferroelectricity and the Mn trimerization that appears to determine the symmetry of the magnetic structure arise from the same structure distortion. In this review we demonstrate how the use of both neutron and X-ray diffraction and inelastic neutron scattering techniques have been essential to paint this comprehensive and coherent picture of h-RMnO3. PMID:26830792

  18. Topological states of non-Dirac electrons on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Liang, Qi-Feng; Yu, Rui; Zhou, Jian; Hu, Xiao

    2016-01-01

    We demonstrate possible nontrivial topology of non-Dirac electrons. In particular we show that, because of the C3 crystal symmetry and time-reversal symmetry, multiple p orbitals accommodated on a triangular lattice exhibit a degeneracy and quadratic non-Dirac band dispersions at the Γ point. When the atomic spin-orbit coupling (SOC) is taken into account, a quantum spin Hall effect state is realized. As revealed explicitly by a k .p model, the nontrivial topology is associated with a meron structure with double vorticity in the pseudospin texture, a mechanism different from that on honeycomb lattice and the band inversion. One possible realization of this scheme is the Si[111] surface adapted by heavy elements with strong atomic SOC, with symmetry and orbitals selected by choosing coverage and auxiliary elements. In terms of first-principles calculations on 1/3 regular coverage of Bi a topological gap of ˜0.15 eV is derived.

  19. Q-colourings of the triangular lattice: exact exponents and conformal field theory

    NASA Astrophysics Data System (ADS)

    Vernier, Eric; Lykke Jacobsen, Jesper; Salas, Jesús

    2016-04-01

    We revisit the problem of Q-colourings of the triangular lattice using a mapping onto an integrable spin-one model, which can be solved exactly using Bethe ansatz techniques. In particular we focus on the low-energy excitations above the eigenlevel g 2, which was shown by Baxter to dominate the transfer matrix spectrum in the Fortuin-Kasteleyn (chromatic polynomial) representation for {Q}0≤slant Q≤slant 4, where {Q}0=3.819 671\\cdots . We argue that g 2 and its scaling levels define a conformally invariant theory, the so-called regime IV, which provides the actual description of the (analytically continued) colouring problem within a much wider range, namely Q\\in (2,4]. The corresponding conformal field theory is identified and the exact critical exponents are derived. We discuss their implications for the phase diagram of the antiferromagnetic triangular-lattice Potts model at non-zero temperature. Finally, we relate our results to recent observations in the field of spin-one anyonic chains.

  20. Noncollinear and noncoplanar magnetic order in the extended Hubbard model on anisotropic triangular lattice

    NASA Astrophysics Data System (ADS)

    Pasrija, Kanika; Kumar, Sanjeev

    2016-05-01

    Motivated by the importance of noncollinear and noncoplanar magnetic phases in determining various electrical properties in magnets, we investigate the magnetic phase diagram of the extended Hubbard model on an anisotropic triangular lattice. We map out the ground-state phase diagram within a mean-field scheme that treats collinear, noncollinear, and noncoplanar phases on equal footing. In addition to the standard ferromagnet and 120∘ antiferromagnet states, we find the four-sublattice flux, the 3Q noncoplanar, and the noncollinear charge-ordered states to be stable at specific values of filling fraction n . Inclusion of a nearest-neighbor Coulomb repulsion leads to intriguing spin-charge-ordered phases. The most notable of these are the collinear and noncollinear magnetic states at n =2 /3 , which occur together with a pinball-liquid-like charge order. Our results demonstrate that the elementary single-orbital extended Hubbard model on a triangular lattice hosts unconventional spin-charge ordered phases, which are similar to those reported in more complex and material-specific electronic Hamiltonians.

  1. Cluster evolution and critical cluster sizes for the square and triangular lattice Ising models using lattice animals and Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Eising, G.; Kooi, B. J.

    2012-06-01

    Growth and decay of clusters at temperatures below Tc have been studied for a two-dimensional Ising model for both square and triangular lattices using Monte Carlo (MC) simulations and the enumeration of lattice animals. For the lattice animals, all unique cluster configurations with their internal bonds were identified up to 25 spins for the triangular lattice and up to 29 spins for the square lattice. From these configurations, the critical cluster sizes for nucleation have been determined based on two (thermodynamic) definitions. From the Monte Carlo simulations, the critical cluster size is also obtained by studying the decay and growth of inserted, most compact clusters of different sizes. A good agreement is found between the results from the MC simulations and one of the definitions of critical size used for the lattice animals at temperatures T > ˜0.4 Tc for the square lattice and T > ˜0.2 Tc for the triangular lattice (for the range of external fields H considered). At low temperatures (T ≈ 0.2 Tc for the square lattice and T ≈ 0.1 Tc for the triangular lattice), magic numbers are found in the size distributions during the MC simulations. However, these numbers are not present in the critical cluster sizes based on the MC simulations, as they are present for the lattice animal data. In order to achieve these magic numbers in the critical cluster sizes based on the MC simulation, the temperature has to be reduced further to T ≈ 0.15 Tc for the square lattice. The observed evolution of magic numbers as a function of temperature is rationalized in the present work.

  2. Real space visualization of thermal fluctuations in a triangular flux-line lattice

    NASA Astrophysics Data System (ADS)

    Schwarz, A.; Liebmann, M.; Pi, U. H.; Wiesendanger, R.

    2010-03-01

    The temperature-dependent properties of a triangular flux-line lattice (FLL) in the low-flux density regime were investigated by evaluating the imaged flux-line (FL) size and the lattice regularity observed in real space utilizing magnetic force microscopy (MFM). At low temperatures, pinning by randomly distributed point defects in the anisotropic type-II superconductor Bi2Sr2CaCu2O8+δ results in curved FLs and lateral disorder within the FLL (Bragg glass). Above 30 K, depinning of pancake vortices (PVs) leads to straightening of FLs and a better-ordered lattice. Evaluation of the temperature-dependent imaged FL size allows us to determine the stiffness of the potential, in which FLs in the lattice are caged due to mutual repulsion between them. At 54.1 K, far below melting temperatures reported so far, thermal fluctuations plus the lateral force exerted by the scanning tip facilitate decoupling of PVs near the surface and the image contrast exhibit a liquid-like behavior. Our analysis demonstrates the ability of MFM to obtain three-dimensional information on the arrangement of PVs.

  3. Spin-lattice coupling and novel magnetic properties in the triangular lattice antiferromagnet Ag2CrO2

    NASA Astrophysics Data System (ADS)

    Matsuda, Masaaki

    2013-03-01

    Spin-lattice coupling plays an important role in selecting the ground state in the geometrically frustrated magnets, since a small amount of structural distortion is sufficient to lift the ground state degeneracy and stabilize a long-range magnetic order. Ag2CrO2 consists of insulating triangular lattice planes of CrO2 (Cr3+ ion with S=3/2), which are separated by the metallic Ag2 layers. Interestingly, the electric transport in the Ag2 layer is strongly affected by the magnetism in the CrO2 layer. We performed neutron diffraction experiments on this material and found that a partially disordered state with 5 sublattices abruptly appears at TN=24 K, accompanied by a structural distortion. The spin-lattice coupling stabilizes the anomalous state, which is expected to appear only in limited ranges of further-neighbor interactions and temperature. The nonnegligible further-neighbor interactions suggest the existence of the RKKY interaction mediated by the conduction electrons. We have recently performed inelastic neutron scattering experiments and found anomalous magnetic excitations, which cannot be explained simply by the linear spin-wave theory.

  4. Partially disordered state and spin-lattice coupling in an S=3/2 triangular lattice antiferromagnet Ag2CrO2

    NASA Astrophysics Data System (ADS)

    Matsuda, M.; Yoshida, H.; Isobe, M.; de La Cruz, C.; Fishman, R. S.

    2012-02-01

    Ag2CrO2 consists of triangular lattice planes of CrO2, which are well separated by the metallic Ag2 layers. [1] This compound is an S=3/2 frustrated triangular lattice antiferromagnet without orbital degree of freedom. We performed neutron diffraction experiments on a powder sample of Ag2CrO2 on a neutron powder diffractometer HB-2A and a triple-axis neutron spectrometer HB-1, installed at HFIR in Oak Ridge National Laboratory. With decreasing temperature, a short-range 4-sublatice spin state develops. However, a long-range partially disordered state with 5 sublattices abruptly appears at TN=24 K, accompanied by a structural distortion, and persists at least down to 2 K. The spin-lattice coupling stabilizes the anomalous state, which is expected to appear only in limited ranges of further-neighbor interactions and temperature. It was found that the spin-lattice coupling is a common feature in triangular lattice antiferromagnets with multiple-sublattice spin states, since the triangular lattice is elastic. [4pt] [1] H. Yoshida et al., to appear in J. Phys. Soc. Jpn.

  5. The sign-factor of the 3D Ising model on dual BCC lattice

    NASA Astrophysics Data System (ADS)

    Khachatryan, Sh.; Sedrakyan, A.

    2002-01-01

    We modify the two-dimensional model for the sign-factor of the regular 3D Ising model (3DIM) presented by Kavalov and Sedrakyan (Phys. Lett. 173B (1986) 449 and Nucl. Phys. 285B (1987) 264) for the case of dual to body centered cubic (DBCC) three-dimensional lattice. The advantage of this lattice is in an absence of self-intersections of the two-dimensional surfaces embedded there. We investigate simpler case of the model with scalar fermions (instead of SU(2) needed for 3DIM) and have found it's spectrum, which appeared to be massless. We reformulate the model by use of R-matrix formalism and a new interesting structure appears in a necessity to introduce three-particle R(3)ijk-matrices. We formulate the integrability property of the model for more general case.

  6. Deconfinement Phase Transition in a 3D Nonlocal U(1) Lattice Gauge Theory

    SciTech Connect

    Arakawa, Gaku; Ichinose, Ikuo; Matsui, Tetsuo; Sakakibara, Kazuhiko

    2005-06-03

    We introduce a 3D compact U(1) lattice gauge theory having nonlocal interactions in the temporal direction, and study its phase structure. The model is relevant for the compact QED{sub 3} and strongly correlated electron systems like the t-J model of cuprates. For a power-law decaying long-range interaction, which simulates the effect of gapless matter fields, a second-order phase transition takes place separating the confinement and deconfinement phases. For an exponentially decaying interaction simulating matter fields with gaps, the system exhibits no signals of a second-order transition.

  7. Discovery of a 3d-transition-metal-based ferromagnetic Kondo lattice system

    NASA Astrophysics Data System (ADS)

    Us Saleheen, Ahmad; Samanta, Tapas; Lepkowski, Daniel; Shankar, Alok; Prestigiacomo, Joseph; Dubenko, Igor; Quetz, Abdiel; McDougald, Roy, Jr.; McCandless, Gregory; Chan, Julia; Adams, Philip; Young, David; Ali, Naushad; Stadler, Shane

    2015-03-01

    The formation of a Kondo lattice results in a wide variety of exotic phenomena associated with the competition between the Kondo effect and the RKKY interaction, such as heavy fermions, non-Fermi liquid behavior, unconventional superconductivity, and so on. A quantum critical point (QCP) has been frequently observed at the boundaries of competing phases for antiferromagnetic materials. However, the existence of a ferromagnetic (FM) QCP is unclear. Moreover, FM Kondo lattices are rare. Here we report the discovery of a FM Kondo lattice system Mn1-xFexCoGe, which is the first example of a 3d-metal-based system (i.e., not rare-earth-based). Resistivity, magnetic susceptibility, heat capacity and thermopower studies on a single crystal sample indicate that the anisotropic FM kondo lattice has formed along c-axis. The signature of a spin density wave transition was also observed above the Kondo minimum, below which the resistivity follows a log(T) behavior. This work was supported by the U.S. Department of Energy (Grant Nos. DE-FG02-13ER46946 and DE-FG02-06ER46291).

  8. Variational Monte Carlo study of chiral spin liquid in quantum antiferromagnet on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Hu, Wen-Jun; Gong, Shou-Shu; Sheng, D. N.

    2016-08-01

    By using Gutzwiller projected fermionic wave functions and variational Monte Carlo technique, we study the spin-1 /2 Heisenberg model with the first-neighbor (J1), second-neighbor (J2), and additional scalar chiral interaction JχSi.(Sj×Sk) on the triangular lattice. In the nonmagnetic phase of the J1-J2 triangular model with 0.08 ≲J2/J1≲0.16 , recent density-matrix renormalization group (DMRG) studies [Zhu and White, Phys. Rev. B 92, 041105(R) (2015), 10.1103/PhysRevB.92.041105 and Hu, Gong, Zhu, and Sheng, Phys. Rev. B 92, 140403(R) (2015), 10.1103/PhysRevB.92.140403] find a possible gapped spin liquid with the signal of a competition between a chiral and a Z2 spin liquid. Motivated by the DMRG results, we consider the chiral interaction JχSi.(Sj×Sk) as a perturbation for this nonmagnetic phase. We find that with growing Jχ, the gapless U(1) Dirac spin liquid, which has the best variational energy for Jχ=0 , exhibits the energy instability towards a gapped spin liquid with nontrivial magnetic fluxes and nonzero chiral order. We calculate topological Chern number and ground-state degeneracy, both of which identify this flux state as the chiral spin liquid with fractionalized Chern number C =1 /2 and twofold topological degeneracy. Our results indicate a positive direction to stabilize a chiral spin liquid near the nonmagnetic phase of the J1-J2 triangular model.

  9. A quantum fidelity study of the anisotropic next-nearest-neighbour triangular lattice Heisenberg model

    NASA Astrophysics Data System (ADS)

    Thesberg, Mischa; Sørensen, Erik S.

    2014-10-01

    Ground- and excited-state quantum fidelities in combination with generalized quantum fidelity susceptibilites, obtained from exact diagonalizations, are used to explore the phase diagram of the anisotropic next-nearest-neighbour triangular Heisenberg model. Specifically, the J‧ - J2 plane of this model, which connects the J1 - J2 chain and the anisotropic triangular lattice Heisenberg model, is explored using these quantities. Through the use of a quantum fidelity associated with the first excited-state, in addition to the conventional ground-state fidelity, the BKT-type transition and Majumdar-Ghosh point of the J1 - J2 chain (J‧ = 0) are found to extend into the J‧ - J2 plane and connect with points on the J2 = 0 axis thereby forming bounded regions in the phase diagram. These bounded regions are then explored through the generalized quantum fidelity susceptibilities χρ, χ120\\circ , χD and χCAF which are associated with the spin stiffness, 120° spiral order parameter, dimer order parameter and collinear antiferromagnetic order parameter respectively. These quantities are believed to be extremely sensitive to the underlying phase and are thus well suited for finite-size studies. Analysis of the fidelity susceptibilities suggests that the J‧, J2 ≪ J phase of the anisotropic triangular model is either a collinear antiferromagnet or possibly a gapless disordered phase that is directly connected to the Luttinger phase of the J1 - J2 chain. Furthermore, the outer region is dominated by incommensurate spiral physics as well as dimer order.

  10. GPU-Accelerated Population Annealing Algorithm: Frustrated Ising Antiferromagnet on the Stacked Triangular Lattice

    NASA Astrophysics Data System (ADS)

    Borovský, Michal; Weigel, Martin; Barash, Lev Yu.; Žukovič, Milan

    2016-02-01

    The population annealing algorithm is a novel approach to study systems with rough free-energy landscapes, such as spin glasses. It combines the power of simulated annealing, Boltzmann weighted differential reproduction and sequential Monte Carlo process to bring the population of replicas to the equilibrium even in the low-temperature region. Moreover, it provides a very good estimate of the free energy. The fact that population annealing algorithm is performed over a large number of replicas with many spin updates, makes it a good candidate for massive parallelism. We chose the GPU programming using a CUDA implementation to create a highly optimized simulation. It has been previously shown for the frustrated Ising antiferromagnet on the stacked triangular lattice with a ferromagnetic interlayer coupling, that standard Markov Chain Monte Carlo simulations fail to equilibrate at low temperatures due to the effect of kinetic freezing of the ferromagnetically ordered chains. We applied the population annealing to study the case with the isotropic intra- and interlayer antiferromagnetic coupling (J2/|J1| = -1). The reached ground states correspond to non-magnetic degenerate states, where chains are antiferromagnetically ordered, but there is no long-range ordering between them, which is analogical with Wannier phase of the 2D triangular Ising antiferromagnet.

  11. Entanglement Properties of a Quantum Lattice-Gas Model on Square and Triangular Ladders

    NASA Astrophysics Data System (ADS)

    Tanaka, Shu; Tamura, Ryo; Katsura, Hosho

    2014-03-01

    In this paper, we review the entanglement properties of a quantum lattice-gas model according to our previous paper [S. Tanaka, R. Tamura, and H. Katsura, Phys. Rev. A 86, 032326 (2012)]. The ground state of the model under consideration can be exactly obtained and expressed by the Rokhsar-Kivelson type quantum superposition. The reduced density matrices of the model on square and triangular ladders are related to the transfer matrices of the classical hard-square and hard-hexagon models, respectively. In our previous paper, we investigated the entanglement properties including the entanglement entropy, the entanglement spectrum, and the nested entanglement entropy. We found that the entanglement spectra are critical when parameters are chosen so that the corresponding classical model is critical. In order to further investigate the entanglement properties, we also considered the nested entanglement entropy. As a result, the entanglement properties of the model on square and triangular ladders are described by the critical phenomena of the Ising model and the three-state ferromagnetic Potts model in two dimension, respectively.

  12. Magnetic Interaction in the Geometrically Frustrated Triangular LatticeAntiferromagnet CuFeO2

    SciTech Connect

    Ye, Feng; Fernandez-Baca, Jaime A; Fishman, Randy Scott; Ren, Y.; Kang, H. J.; Qiu, Y.; Kimura, T.

    2007-01-01

    The spin wave excitations of the geometrically frustrated triangular lattice antiferromagnet (TLA) CuFeO2 have been measured using high resolution inelastic neutron scattering. Antiferromagnetic interactions up to third nearest neighbors in the ab plane (J1, J2, J3, with J2=J1 0:44 and J3=J1 0:57), as well as out-of-plane coupling (Jz, with Jz=J1 0:29) are required to describe the spin wave dispersion relations, indicating a three dimensional character of the magnetic interactions. Two energy deeps in the spin wave dispersion occur at the incommensurate wavevectors associated with multiferroic phase, and can be interpreted as dynamic precursors to the magnetoelectric behavior in this system.

  13. Frustrated Ising chains on the triangular lattice in Sr3NiIrO6

    NASA Astrophysics Data System (ADS)

    Toth, S.; Wu, W.; Adroja, D. T.; Rayaprol, S.; Sampathkumaran, E. V.

    2016-05-01

    Inelastic neutron scattering study on the spin-chain compound Sr3NiIrO6 reveals gapped quasi-1D magnetic excitations. The observed one-magnon band between 29.5 and 39 meV consists of magnon modes of the Ni2 + ions. The fitting of the spin wave spectrum reveals strongly coupled Ising-like chains along the c axis that are weakly coupled into a frustrated triangular lattice in the a b plane. The magnetic excitations survive up to 200 K well above the magnetic ordering temperature of TN˜75 K, also indicating a quasi-1D nature of the magnetic interactions in Sr3NiIrO6 . Our microscopic model is in agreement with ab initio electronic structure calculations and explains the giant spin-flip field observed in bulk magnetization measurements.

  14. XY ring exchange model with frustrated Ising coupling on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-07-01

    We investigate the nature of a Z2-invariant XY ring-exchange interaction with a frustrated Ising coupling on the triangular lattice. Within the limits of pure XY ring-exchange interaction, we show that the classical ground state is degenerate resulting from the Z2-invariance of the Hamiltonian. Quantum fluctuations lift these classical degenerate ground states and produce an unusual state whose excitation spectrum exhibits a gapped maximum quadratic dispersion near k = 0 and vanishes at the midpoints of each side of the Brillouin zone. This result is in contrast to a gapless quadratic dispersion near k = 0 in the U(1)-invariant counterpart. We also study the effects of frustration when competing with a classically frustrated Ising interaction. We provide a glimpse into the possible quantum phases that could emerge. A comprehensive understanding of this Hamiltonian, however, cannot be elucidated analytically and requires an explicit numerical simulation.

  15. Spin superfluidity in the anisotropic XY model in the triangular lattice

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-07-01

    We use the SU(3) Schwinger's boson theory to study the spin transport properties in the two-dimensional anisotropic frustrated Heisenberg model in the triangular lattice at T=0. We have investigated the behavior of the spin conductivity for this model which presents an single-ion anisotropy. We study the spin transport in the Bose-Einstein condensation regime where we have that the tz bosons are condensed and the following condition is valid: = < tz† > = t . Our results show a metallic spin transport for ω > 0 and a superfluid spin transport in the limit of DC conductivity, ω → 0 , where σ(ω) tends to infinity in this limit of ω.

  16. New spiral state and skyrmion lattice in 3D model of chiral magnets

    NASA Astrophysics Data System (ADS)

    Rybakov, Filipp N.; Borisov, Aleksandr B.; Blügel, Stefan; Kiselev, Nikolai S.

    2016-04-01

    We present the phase diagram of magnetic states for films of isotropic chiral magnets (ChMs) calculated as function of applied magnetic field and thickness of the film. We have found a novel magnetic state driven by the natural confinement of the crystal, localized at the surface and stacked on top of the conical bulk phase. This magnetic surface state has a three-dimensional (3D) chiral spin-texture described by the superposition of helical and cycloidal spin spirals. This surface state exists for a large range of applied magnetic fields and for any film thickness beyond a critical one. We also identified the whole thickness and field range for which the skyrmion lattice becomes the ground state of the system. Below a certain critical thickness the surface state and bulk conical phase are suppressed in favor of the skyrmion lattice. Unraveling of those phases and the construction of the phase diagram became possible using advanced computational techniques for direct energy minimization applied to a basic 3D model for ChMs. Presented results provide a comprehensive theoretical description for those effects already observed in experiments on thin films of ChMs, predict new effects important for applications and open perspectives for experimental studies of such systems.

  17. Hydration-induced spin-glass state in a frustrated Na-Mn-O triangular lattice

    NASA Astrophysics Data System (ADS)

    Bakaimi, Ioanna; Brescia, Rosaria; Brown, Craig M.; Tsirlin, Alexander A.; Green, Mark A.; Lappas, Alexandros

    2016-05-01

    Birnessite compounds are stable across a wide range of compositions that produces a remarkable diversity in their physical, electrochemical, and functional properties. These are hydrated analogs of the magnetically frustrated, mixed-valent manganese oxide structures, with general formula, N axMn O2 . Here we demonstrate that the direct hydration of layered rock-salt type α-NaMn O2 , with the geometrically frustrated triangular lattice topology, yields the birnessite type oxide, N a0.36Mn O2.0.2 H2O , transforming its magnetic properties. This compound has a much-expanded interlayer spacing compared to its parent α-NaMn O2 compound. We show that while the parent α-NaMn O2 possesses a Néel temperature of 45 K as a result of broken symmetry in the M n3 + sublattice, the hydrated derivative undergoes collective spin freezing at 29 K within the M n3 +/M n4 + sublattice. Scaling-law analysis of the frequency dispersion of the ac susceptibility, as well as the temperature-dependent, low-field dc magnetization confirm a cooperative spin-glass state of strongly interacting spins. This is supported by complementary spectroscopic analysis [high-angle annular dark-field scanning transmission electron miscroscopy (TEM), energy-dispersive x-ray spectroscopy, and electron energy-loss spectroscopy] as well as by a structural investigation (high-resolution TEM, x-ray, and neutron powder diffraction) that yield insights into the chemical and atomic structure modifications. We conclude that the spin-glass state in birnessite is driven by the spin frustration imposed by the underlying triangular lattice topology that is further enhanced by the in-plane bond-disorder generated by the mixed-valent character of manganese in the layers.

  18. Coordinate Bethe ansatz computation for low temperature behavior of a triangular lattice of a spin-1 Heisenberg antiferromagnet

    SciTech Connect

    Shuaibu, A.; Rahman, M. M.

    2014-03-05

    We study the low temperature behavior of a triangular lattice quantum spin-1 Heisenberg antiferromagnet with single-site anisotropy by using coordinate Bethe ansatz method. We compute the standard two-particle Hermitian Hamiltonian, and obtain the eigenfunctions and eigenvalue of the system. The obtained results show a number of advantages in comparison with many results.

  19. Superglass Phase of Interaction-Blockaded Gases on a Triangular Lattice.

    PubMed

    Angelone, Adriano; Mezzacapo, Fabio; Pupillo, Guido

    2016-04-01

    We investigate the quantum phases of monodispersed bosonic gases confined to a triangular lattice and interacting via a class of soft-shoulder potentials. The latter correspond to soft-core potentials with an additional hard-core onsite interaction. Using exact quantum Monte Carlo simulations, we show that the low temperature phases for weak and strong interactions following a temperature quench are a homogeneous superfluid and a glass, respectively. The latter is an insulating phase characterized by inhomogeneity in the density distribution and structural disorder. Remarkably, we find that for intermediate interaction strengths a superglass occurs in an extended region of the phase diagram, where glassy behavior coexists with a sizable finite superfluid fraction. This glass phase is obtained in the absence of geometrical frustration or external disorder and is a result of the competition of quantum fluctuations and cluster formation in the corresponding classical ground state. For high enough temperature, the glass and superglass turn into a floating stripe solid and a supersolid, respectively. Given the simplicity and generality of the model, these phases should be directly relevant for state-of-the-art experiments with Rydberg-dressed atoms in optical lattices. PMID:27081986

  20. Frustrated mixed spin-1/2 and spin-1 Ising ferrimagnets on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Žukovič, M.; Bobák, A.

    2015-05-01

    Mixed spin-1/2 and spin-1 Ising ferrimagnets on a triangular lattice with sublattices A, B, and C are studied for two spin-value distributions (SA,SB,SC) =(1 /2 ,1 /2 ,1 ) and (1 /2 ,1 ,1 ) by Monte Carlo simulations. The nonbipartite character of the lattice induces geometrical frustration in both systems, which leads to the critical behavior rather different from their ferromagnetic counterparts. We confirm second-order phase transitions belonging to the standard Ising universality class occurring at higher temperatures, however, in both models these change at tricritical points (TCP) to first-order transitions at lower temperatures. In the model (1 /2 ,1 /2 ,1 ) , TCP occurs on the boundary between paramagnetic and ferrimagnetic (±1 /2 ,±1 /2 ,∓1 ) phases. The boundary between two ferrimagnetic phases (±1 /2 ,±1 /2 ,∓1 ) and (±1 /2 ,∓1 /2 ,0 ) at lower temperatures is always first order and it is joined by a line of second-order phase transitions between the paramagnetic and the ferrimagnetic (±1 /2 ,∓1 /2 ,0 ) phases at a critical endpoint. The tricritical behavior is also confirmed in the model (1 /2 ,1 ,1 ) on the boundary between the paramagnetic and ferrimagnetic (0 ,±1 ,∓1 ) phases.

  1. Geometric frustration on a 1/9th site depleted triangular lattice

    NASA Astrophysics Data System (ADS)

    Hopkinson, John; Beck, Jarrett

    2013-03-01

    In the searches both for new spin liquid and spin ice (artificial and macroscopic) candidates, geometrically frustrated two-dimensional spin systems have played a prominent role. Here we present a study of the classical antiferromagnetic Ising (AFI) model on the sorrel net, a 1/9th site depleted and 1/7th bond depleted triangular lattice. The AFI model on this corner-shared triangle net is found to have a large residual entropy per spin S/N = 0 . 48185 +/- 0 . 00008 , indicating the sorrel net is highly geometrically frustrated. Anticipating that it may be difficult to achieve perfect bond depletion, we investigate the physics resulting from turning back on the depleted bonds (J2). We present the phase diagram, analytic expressions for the long range partially ordered ground state spin structure for antiferromagnetic J2 and the short range ordered ground state spin structure for ferromagnetic J2, the magnetic susceptibility and the static structure factor. We briefly comment on the possibility that artificial spin ice on the sorrel lattice could by made, and on a recent report [T. D. Keene et al., Dalton Trans. 40 2983 (2011)] of the creation of a 1/9th depleted cobalt hydroxide oxalate. This work was supported by NSERC (JMH) and NSERC USRA (JJB)

  2. Tricriticality of the Blume-Emery-Griffiths model in thin films of stacked triangular lattices

    NASA Astrophysics Data System (ADS)

    El Hog, Sahbi; Diep, H. T.

    2016-03-01

    We study in this paper the Blume-Emery-Griffiths model in a thin film of stacked triangular lattices. The model is described by three parameters: bilinear exchange interaction between spins J, quadratic exchange interaction K and single-ion anisotropy D. The spin Si at the lattice site i takes three values (-1, 0, +1). This model can describe the mixing phase of He-4 (Si = +1,-1) and He-3 (Si = 0) at low temperatures. Using Monte Carlo simulations, we show that there exists a critical value of D below (above) which the transition is of second-(first-)order. In general, the temperature dependence of the concentrations of He-3 is different from layer by layer. At a finite temperature in the superfluid phase, the film surface shows a deficit of He-4 with respect to interior layers. However, effects of surface interaction parameters can reverse this situation. Effects of the film thickness on physical properties will be also shown as functions of temperature.

  3. Simulation study of random sequential adsorption of mixtures on a triangular lattice.

    PubMed

    Loncarević, I; Budinski-Petković, Lj; Vrhovac, S B

    2007-09-01

    Random sequential adsorption of binary mixtures of extended objects on a two-dimensional triangular lattice is studied numerically by means of Monte Carlo simulations. The depositing objects are formed by self-avoiding random walks on the lattice. We concentrate here on the influence of the symmetry properties of the shapes on the kinetics of the deposition processes in two-component mixtures. Approach to the jamming limit in the case of mixtures is found to be exponential, of the form: theta(t) approximately theta jam - Deltatheta exp(- t/sigma), and the values of the parameter sigma are determined by the order of symmetry of the less symmetric object in the mixture. Depending on the local geometry of the objects making the mixture, jamming coverage of a mixture can be either greater than both single-component jamming coverages or it can be in between these values. Results of the simulations for various fractional concentrations of the objects in the mixture are also presented. PMID:17767373

  4. Superglass Phase of Interaction-Blockaded Gases on a Triangular Lattice

    NASA Astrophysics Data System (ADS)

    Angelone, Adriano; Mezzacapo, Fabio; Pupillo, Guido

    2016-04-01

    We investigate the quantum phases of monodispersed bosonic gases confined to a triangular lattice and interacting via a class of soft-shoulder potentials. The latter correspond to soft-core potentials with an additional hard-core onsite interaction. Using exact quantum Monte Carlo simulations, we show that the low temperature phases for weak and strong interactions following a temperature quench are a homogeneous superfluid and a glass, respectively. The latter is an insulating phase characterized by inhomogeneity in the density distribution and structural disorder. Remarkably, we find that for intermediate interaction strengths a superglass occurs in an extended region of the phase diagram, where glassy behavior coexists with a sizable finite superfluid fraction. This glass phase is obtained in the absence of geometrical frustration or external disorder and is a result of the competition of quantum fluctuations and cluster formation in the corresponding classical ground state. For high enough temperature, the glass and superglass turn into a floating stripe solid and a supersolid, respectively. Given the simplicity and generality of the model, these phases should be directly relevant for state-of-the-art experiments with Rydberg-dressed atoms in optical lattices.

  5. Modified spin-wave theory and spin-liquid behavior of cold bosons on an inhomogeneous triangular lattice

    NASA Astrophysics Data System (ADS)

    Celi, Alessio; Grass, Tobias; Ferris, Andrew J.; Padhi, Bikash; Raventós, David; Simonet, Juliette; Sengstock, Klaus; Lewenstein, Maciej

    2016-08-01

    Ultracold bosons in a triangular lattice are a promising candidate for observing quantum spin liquid behavior. Here we investigate, for such system, the role of a harmonic trap giving rise to an inhomogeneous density. We construct a modified spin-wave theory for arbitrary filling and predict the breakdown of order for certain values of the lattice anisotropy. These regimes, identified with the spin liquid phases, are found to be quite robust upon changes in the filling factor. This result is backed by an exact diagonalization study on a small lattice.

  6. Spin liquid state in the disordered triangular lattice Sc2Ga2CuO7 revealed by NMR

    DOE PAGESBeta

    Khuntia, P.; Kumar, R.; Mahajan, A. V.; Baenitz, M.; Furukawa, Y.

    2016-04-18

    We present microscopic magnetic properties of a two-dimensional triangular lattice Sc2Ga2CuO7, consisting of single and double triangular Cu planes. An antiferromagnetic (AFM) exchange interaction J/kB ≈ 35 K between Cu2+ (S = 1/2) spins in the triangular biplane is obtained from the analysis of intrinsic magnetic susceptibility data. The intrinsic magnetic susceptibility, extracted from 71Ga NMR shift data, displays the presence of AFM short range spin correlations and remains finite down to 50 mK, suggesting a nonsinglet ground state. The nuclear spin-lattice relaxation rate (1/T1) reveals a slowing down of Cu2+ spin fluctuations with decreasing T down to 100 mK.more » Magnetic specific heat (Cm) and 1/T1 exhibit power law behavior at low temperatures, implying the gapless nature of the spin excitation spectrum. The absence of long range magnetic ordering down to ~J/700, nonzero spin susceptibility at low T, and the power law behavior of Cm and 1/T1 suggest a gapless quantum spin liquid (QSL) state. Our results demonstrate that persistent spin dynamics induced by frustration maintain a quantum-disordered state at T → 0 in this triangular lattice antiferromagnet. Furthermore, this suggests that the low energy modes are dominated by spinon excitations in the QSL state due to randomness engendered by disorder and frustration.« less

  7. Spin liquid state in the disordered triangular lattice Sc2Ga2CuO7 revealed by NMR

    NASA Astrophysics Data System (ADS)

    Khuntia, P.; Kumar, R.; Mahajan, A. V.; Baenitz, M.; Furukawa, Y.

    2016-04-01

    We present microscopic magnetic properties of a two-dimensional triangular lattice Sc2Ga2CuO7 , consisting of single and double triangular Cu planes. An antiferromagnetic (AFM) exchange interaction J /kB≈35 K between Cu2 + (S =1 /2 ) spins in the triangular biplane is obtained from the analysis of intrinsic magnetic susceptibility data. The intrinsic magnetic susceptibility, extracted from 71Ga NMR shift data, displays the presence of AFM short range spin correlations and remains finite down to 50 mK, suggesting a nonsinglet ground state. The nuclear spin-lattice relaxation rate (1 /T1 ) reveals a slowing down of Cu2 + spin fluctuations with decreasing T down to 100 mK. Magnetic specific heat (Cm) and 1 /T1 exhibit power law behavior at low temperatures, implying the gapless nature of the spin excitation spectrum. The absence of long range magnetic ordering down to ˜J /700 , nonzero spin susceptibility at low T , and the power law behavior of Cm and 1 /T1 suggest a gapless quantum spin liquid (QSL) state. Our results demonstrate that persistent spin dynamics induced by frustration maintain a quantum-disordered state at T →0 in this triangular lattice antiferromagnet. This suggests that the low energy modes are dominated by spinon excitations in the QSL state due to randomness engendered by disorder and frustration.

  8. Amoeboid migration mode adaption in quasi-3D spatial density gradients of varying lattice geometry

    NASA Astrophysics Data System (ADS)

    Gorelashvili, Mari; Emmert, Martin; Hodeck, Kai F.; Heinrich, Doris

    2014-07-01

    Cell migration processes are controlled by sensitive interaction with external cues such as topographic structures of the cell’s environment. Here, we present systematically controlled assays to investigate the specific effects of spatial density and local geometry of topographic structure on amoeboid migration of Dictyostelium discoideum cells. This is realized by well-controlled fabrication of quasi-3D pillar fields exhibiting a systematic variation of inter-pillar distance and pillar lattice geometry. By time-resolved local mean-squared displacement analysis of amoeboid migration, we can extract motility parameters in order to elucidate the details of amoeboid migration mechanisms and consolidate them in a two-state contact-controlled motility model, distinguishing directed and random phases. Specifically, we find that directed pillar-to-pillar runs are found preferably in high pillar density regions, and cells in directed motion states sense pillars as attractive topographic stimuli. In contrast, cell motion in random probing states is inhibited by high pillar density, where pillars act as obstacles for cell motion. In a gradient spatial density, these mechanisms lead to topographic guidance of cells, with a general trend towards a regime of inter-pillar spacing close to the cell diameter. In locally anisotropic pillar environments, cell migration is often found to be damped due to competing attraction by different pillars in close proximity and due to lack of other potential stimuli in the vicinity of the cell. Further, we demonstrate topographic cell guidance reflecting the lattice geometry of the quasi-3D environment by distinct preferences in migration direction. Our findings allow to specifically control amoeboid cell migration by purely topographic effects and thus, to induce active cell guidance. These tools hold prospects for medical applications like improved wound treatment, or invasion assays for immune cells.

  9. Lattice Boltzmann simulation of dynamics of plunge and pitch of 3D flexible wing

    NASA Astrophysics Data System (ADS)

    Qi, Dewei; Shyy, Wei

    2008-11-01

    The method of lattice Boltzmann (LB) simulation has been used to simulate fluid structures and motion of a flexible insect wing in a 3D space. In the method, a beam has been discretized into a chain of rigid segments. Each segment is connected through ball and socket joints at its ends. One segment may be bent and twisted with its neighboring segment. A constraint force is applied to each joint to ensure the solid structure moving as a whole flexible elastic body.We have demonstrated that the LB method is suitable for modeling of aerodynamics of insects flight at low Reynolds numbers. First, a simulation of plunging and pitching of a rigid wing is performed at Re=75 in a 2D space and the results of lift forces and flow structures are in excellent agreement with the previous results. Second, plunging and pitching of a flexible wing in span-wise direction is simulated at Re=136 in a 3D space. We found that when twisting elasticity is large enough the twisting angle could be controlled at a level of smaller than 0.2 degree. It is shown that as bending and twisting elasticity is large enough, the motion of flexible wing approaches that of a rigid membrane wing. The simulation results show that the optimization of flexibility in span-wise direction will benefit thrust and an intermediate level is favorable. The results are consistent with experimental finding.

  10. Development and validation of a 3D Lattice Boltzmann model for volcano aeroacoustics

    NASA Astrophysics Data System (ADS)

    Brogi, Federico; Bonadonna, Costanza; Ripepe, Maurizio; Chopard, Bastien; Malaspinas, Orestis; Latt, Jonas; Falcone, Jean-Luc

    2015-04-01

    Infrasound measurements have a great potential for the real time characterization of volcanic plume source parameters [Ripepe et al., 2013]. Nonetheless many shortcomings have been highlighted in the understanding of the infrasound monitoring. In particular, the application of the classical acoustic source models to volcanic explosive eruptions has shown to be challenging and a better knowledge of the link between the acoustic radiation and actual volcanic fluid dynamics processes is required. New insights into this subject could be given by the study of realistic aeroacoustic numerical simulations of a volcanic jet. Our work mainly focuses on developing and validating such numerical model to determine when and if classical model source theory can be applied to explain volcanic infrasound data. Lattice Boltzmann strategies (LB) provide the opportunity to develop an accurate, computationally fast, 3D physical model for a volcanic jet and wave propagation. In the field of aeroacoustic applications, dedicated LB schemes has been proven to have the low dispersion and dissipative properties needed for capturing the weak acoustic pressure fluctuations. However, when dealing with simulations of realistic flows, artificial boundaries are defined around the flow region. The reflected waves from these boundaries can have significant influence on the flow field and overwhelm the acoustic field of interest. A special absorbing boundary layer has been implemented in our model to suppress the reflected waves [Xu et al., 2013]. In addition, for highly multi-scale turbulent flows, such as volcanic plumes, the number of grid points needed to represent the smallest scales might become intractable and the most complicated physics happen only in small portions of the computational domain. The implementation of the grid refinement, in our model allow us to insert local finer grids only where is actually needed [Lagrava et al., 2012] and to increase the size of the computational domain

  11. Response properties in the adsorption-desorption model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Šćepanović, J. R.; Stojiljković, D.; Jakšić, Z. M.; Budinski-Petković, Lj.; Vrhovac, S. B.

    2016-06-01

    The out-of-equilibrium dynamical processes during the reversible random sequential adsorption (RSA) of objects of various shapes on a two-dimensional triangular lattice are studied numerically by means of Monte Carlo simulations. We focused on the influence of the order of symmetry axis of the shape on the response of the reversible RSA model to sudden perturbations of the desorption probability Pd. We provide a detailed discussion of the significance of collective events for governing the time coverage behavior of shapes with different rotational symmetries. We calculate the two-time density-density correlation function C(t ,tw) for various waiting times tw and show that longer memory of the initial state persists for the more symmetrical shapes. Our model displays nonequilibrium dynamical effects such as aging. We find that the correlation function C(t ,tw) for all objects scales as a function of single variable ln(tw) / ln(t) . We also study the short-term memory effects in two-component mixtures of extended objects and give a detailed analysis of the contribution to the densification kinetics coming from each mixture component. We observe the weakening of correlation features for the deposition processes in multicomponent systems.

  12. Dynamical correlations of the Quantum Dimer Model on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Ralko, Arnaud; Ferrero, Michel; Becca, Federico; Ivanov, Dmitri; Mila, Frédéric

    2006-03-01

    Using Green's function Monte Carlo simulations, we have studied the zero-temperature properties of the quantum dimer model (QDM)on the triangular lattice [1] on clusters with up to 588 sites. A detailed comparison of the static properties in different topological sectors as a function of the cluster size and for different cluster shapes has allowed us to identify different phases, and to to show explicitly the presence of topological degeneracy in a phase close to the Rokhsar-Kivelson point, in agreement with an earlier suggestion [2]. We have also extended the Green's function Monte Carlo algorithm to calculate dynamical correlation functions. Preliminary results on the dimer-dimer correlations confirm the extension of the RVB phase and bring new insight on the nature of the transition to the √12 x√12 phase and on the type of long-range order realized in that phase.[1] A. Ralko, M. Ferrero, F. Becca, D. Ivanov and F. Mila, Phys. Rev. B, 71, 224109 (2005).[2] R. Moessner and S.L. Sondhi, Phys. Rev. Lett, 86, 1881 (2001).

  13. Microscopic model calculations for the magnetization process of layered triangular-lattice quantum antiferromagnets.

    PubMed

    Yamamoto, Daisuke; Marmorini, Giacomo; Danshita, Ippei

    2015-01-16

    Magnetization processes of spin-1/2 layered triangular-lattice antiferromagnets (TLAFs) under a magnetic field H are studied by means of a numerical cluster mean-field method with a scaling scheme. We find that small antiferromagnetic couplings between the layers give rise to several types of extra quantum phase transitions among different high-field coplanar phases. Especially, a field-induced first-order transition is found to occur at H≈0.7H_{s}, where H_{s} is the saturation field, as another common quantum effect of ideal TLAFs in addition to the well-established one-third plateau. Our microscopic model calculation with appropriate parameters shows excellent agreement with experiments on Ba_{3}CoSb_{2}O_{9} [T. Susuki et al., Phys. Rev. Lett. 110, 267201 (2013)]. Given this fact, we suggest that the Co^{2+}-based compounds may allow for quantum simulations of intriguing properties of this simple frustrated model, such as quantum criticality and supersolid states. PMID:25635561

  14. Quantum phase transitions in triangular lattice Heisenberg anti-ferromagnet in a magnetic field

    NASA Astrophysics Data System (ADS)

    Ye, Mengxing; Chubukov, Andrey

    We present the zero temperature phase diagram of a large S Heisenberg anti-ferromagnet on a frustrated triangular lattice with the nearest neighbor (J1) and the next nearest neighbor (J2) interactions, in a magnetic field. We show that the classical model has an ``accidental'' degeneracy for all J2 /J1 and all fields below the saturation field, which gives rise to the extended manifold of the ground state spin configurations. Quantum fluctuations, however, lift this degeneracy. For small J2 /J1 , they select one of three different co-planar states, depending on the field value. We argue that above some critical ratio of J2 /J1 , which weakly depends on a magnetic field, these fluctuations select the stripe phase. We analyze in detail the mechanism of the selection of the stripe phase and explore the nature of the quantum phase transition in a magnetic field between the ordered phases as J2 /J1 passes through a critical value.

  15. Microscopic Model Calculations for the Magnetization Process of Layered Triangular-Lattice Quantum Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Yamamoto, Daisuke; Marmorini, Giacomo; Danshita, Ippei

    2015-01-01

    Magnetization processes of spin-1 /2 layered triangular-lattice antiferromagnets (TLAFs) under a magnetic field H are studied by means of a numerical cluster mean-field method with a scaling scheme. We find that small antiferromagnetic couplings between the layers give rise to several types of extra quantum phase transitions among different high-field coplanar phases. Especially, a field-induced first-order transition is found to occur at H ≈0.7 Hs, where Hs is the saturation field, as another common quantum effect of ideal TLAFs in addition to the well-established one-third plateau. Our microscopic model calculation with appropriate parameters shows excellent agreement with experiments on Ba3CoSb2O9 [T. Susuki et al., Phys. Rev. Lett. 110, 267201 (2013)]. Given this fact, we suggest that the Co2 + -based compounds may allow for quantum simulations of intriguing properties of this simple frustrated model, such as quantum criticality and supersolid states.

  16. Magnetic Order in the Mixed-Spin Triangular Lattice Antiferromagnet NaxMnO2

    NASA Astrophysics Data System (ADS)

    Chisnell, Robin; Parshall, Dan; Li, Xin; Larson, Amber; Suzuki, Takehito; Checkelsky, Joseph; Rodriguez, Efrain; Lynn, Jeffrey

    NaxTMO2 (TM = transition metal) materials consist of alternating layers of Na and TM ions with the TM ions arranged on a geometrically frustrated triangular lattice. Na can be easily and reversibly removed from these materials, making them of interest for application in rechargeable batteries and allowing for exploration of their rich phase diagrams as a function of Na concentration. Na ordering is an important factor in ground state selection, and is driven by electrostatic interactions in many NaxTMO2 systems. The TM = Mn series differs in that Na ordering is driven by a cooperative Jahn-Teller effect, due to the coexistence of Jahn-Teller active Mn3+ and inactive Mn4+ ions. This effect also results in an ordered arrangement of the Mn3+ and Mn4+ ions, and thus of spin-2 and spin-3/2 moments. For x = 5/8, we have recently shown the coexistence of charge and magnetic stripe orderings. Here, we present the results of neutron diffraction measurements performed on single crystal samples of NaxMnO2 and discuss the details of the magnetic structure in the magnetically ordered phase.

  17. Quantum Monte Carlo study of long-range transverse-field Ising models on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Humeniuk, Stephan

    2016-03-01

    Motivated by recent experiments with a Penning ion trap quantum simulator, we perform numerically exact Stochastic Series Expansion quantum Monte Carlo simulations of long-range transverse-field Ising models on a triangular lattice for different decay powers α of the interactions. The phase boundary for the ferromagnet is obtained as a function of α . For antiferromagnetic interactions, there is strong indication that the transverse field stabilizes a clock ordered phase with sublattice magnetization (M ,-M/2 ,-M/2 ) with unsaturated M <1 in a process known as "order by disorder" similar to the nearest-neighbor antiferromagnet on the triangular lattice. Connecting the known limiting cases of nearest-neighbor and infinite-range interactions, a semiquantitative phase diagram is obtained. Magnetization curves for the ferromagnet for experimentally relevant system sizes and with open boundary conditions are presented.

  18. Novel local symmetries and chiral-symmetry-broken phases in S = 1/2 triangular-lattice Heisenberg model

    NASA Technical Reports Server (NTRS)

    Baskaran, G.

    1989-01-01

    Using a nonmean-field approach the triangular-lattice S = 1/2 Heisenberg antiferromagnet with nearest- and next-nearest-neighbor couplings is shown undergo an Ising-type phase transition into a chiral-symmetry-broken phase (Kalmeyer-Laughlin-like state) at small T. Removal of next-nearest-neighbor coupling introduces a local Z2 symmetry, thereby suppressing any finite-T chiral order.

  19. A topological semimetal model with f-wave symmetry in a non-Abelian triangular optical lattice

    NASA Astrophysics Data System (ADS)

    Li, Ling; Bai, Zhiming; Hao, Ningning; Liu, Guocai

    2016-08-01

    We demonstrate that an chiral f-wave topological semimetal can be induced in a non-Abelian triangular optical lattice. We show that the f-wave symmetry topological semimetal is characterized by the topological invariant, i.e., the winding number W, with W=3 and is different from the semimetal with W=1 and 2 which have the p-wave and d-wave symmetry, respectively.

  20. Critical frontier of the Potts and percolation models on triangular-type and kagome-type lattices. II. Numerical analysis.

    PubMed

    Ding, Chengxiang; Fu, Zhe; Guo, Wenan; Wu, F Y

    2010-06-01

    In the preceding paper, one of us (F. Y. Wu) considered the Potts model and bond and site percolation on two general classes of two-dimensional lattices, the triangular-type and kagome-type lattices, and obtained closed-form expressions for the critical frontier with applications to various lattice models. For the triangular-type lattices Wu's result is exact, and for the kagome-type lattices Wu's expression is under a homogeneity assumption. The purpose of the present paper is twofold: First, an essential step in Wu's analysis is the derivation of lattice-dependent constants A,B,C for various lattice models, a process which can be tedious. We present here a derivation of these constants for subnet networks using a computer algorithm. Second, by means of a finite-size scaling analysis based on numerical transfer matrix calculations, we deduce critical properties and critical thresholds of various models and assess the accuracy of the homogeneity assumption. Specifically, we analyze the q -state Potts model and the bond percolation on the 3-12 and kagome-type subnet lattices (n×n):(n×n) , n≤4 , for which the exact solution is not known. Our numerical determination of critical properties such as conformal anomaly and magnetic correlation length verifies that the universality principle holds. To calibrate the accuracy of the finite-size procedure, we apply the same numerical analysis to models for which the exact critical frontiers are known. The comparison of numerical and exact results shows that our numerical values are correct within errors of our finite-size analysis, which correspond to 7 or 8 significant digits. This in turn infers that the homogeneity assumption determines critical frontiers with an accuracy of 5 decimal places or higher. Finally, we also obtained the exact percolation thresholds for site percolation on kagome-type subnet lattices (1×1):(n×n) for 1≤n≤6 . PMID:20866382

  1. Spin Nematics, Valence-Bond Solids, and Spin Liquids in SO(N) Quantum Spin Models on the Triangular Lattice.

    PubMed

    Kaul, Ribhu K

    2015-10-01

    We introduce a simple model of SO(N) spins with two-site interactions which is amenable to quantum Monte Carlo studies without a sign problem on nonbipartite lattices. We present numerical results for this model on the two-dimensional triangular lattice where we find evidence for a spin nematic at small N, a valence-bond solid at large N, and a quantum spin liquid at intermediate N. By the introduction of a sign-free four-site interaction, we uncover a rich phase diagram with evidence for both first-order and exotic continuous phase transitions. PMID:26550748

  2. Lattice Boltzmann Model of 3D Multiphase Flow in Artery Bifurcation Aneurysm Problem

    PubMed Central

    Abas, Aizat; Mokhtar, N. Hafizah; Ishak, M. H. H.; Abdullah, M. Z.; Ho Tian, Ang

    2016-01-01

    This paper simulates and predicts the laminar flow inside the 3D aneurysm geometry, since the hemodynamic situation in the blood vessels is difficult to determine and visualize using standard imaging techniques, for example, magnetic resonance imaging (MRI). Three different types of Lattice Boltzmann (LB) models are computed, namely, single relaxation time (SRT), multiple relaxation time (MRT), and regularized BGK models. The results obtained using these different versions of the LB-based code will then be validated with ANSYS FLUENT, a commercially available finite volume- (FV-) based CFD solver. The simulated flow profiles that include velocity, pressure, and wall shear stress (WSS) are then compared between the two solvers. The predicted outcomes show that all the LB models are comparable and in good agreement with the FVM solver for complex blood flow simulation. The findings also show minor differences in their WSS profiles. The performance of the parallel implementation for each solver is also included and discussed in this paper. In terms of parallelization, it was shown that LBM-based code performed better in terms of the computation time required. PMID:27239221

  3. Lattice Boltzmann Model of 3D Multiphase Flow in Artery Bifurcation Aneurysm Problem.

    PubMed

    Abas, Aizat; Mokhtar, N Hafizah; Ishak, M H H; Abdullah, M Z; Ho Tian, Ang

    2016-01-01

    This paper simulates and predicts the laminar flow inside the 3D aneurysm geometry, since the hemodynamic situation in the blood vessels is difficult to determine and visualize using standard imaging techniques, for example, magnetic resonance imaging (MRI). Three different types of Lattice Boltzmann (LB) models are computed, namely, single relaxation time (SRT), multiple relaxation time (MRT), and regularized BGK models. The results obtained using these different versions of the LB-based code will then be validated with ANSYS FLUENT, a commercially available finite volume- (FV-) based CFD solver. The simulated flow profiles that include velocity, pressure, and wall shear stress (WSS) are then compared between the two solvers. The predicted outcomes show that all the LB models are comparable and in good agreement with the FVM solver for complex blood flow simulation. The findings also show minor differences in their WSS profiles. The performance of the parallel implementation for each solver is also included and discussed in this paper. In terms of parallelization, it was shown that LBM-based code performed better in terms of the computation time required. PMID:27239221

  4. Strongly Correlated Quantum Gases Trapped in 3D Spin-Dependent Optical Lattices

    NASA Astrophysics Data System (ADS)

    Demarco, Brian

    2011-03-01

    Optical lattices have emerged as ideal systems for exploring Hubbard model physics, since the equivalent of material parameters such as the ratio of tunneling to interaction energy are easily and widely tunable. In this talk I will discuss our recent measurements using novel lattice potentials to realize more complex Hubbard models for bosonic 87 Rb atoms. In these experiments, we adjust the polarization of the lattice laser beams to realize fully three-dimensional, spin-dependent cubic optical lattices. We demonstrate that atoms can be trapped in combinations of spin states for which superfluid and Mott-insulator phases exist simultaneously in the lattice. We also co-trap states that experience a strong lattice potential and no lattice potential whatsoever. I will discuss recent measurements revealing a mechanism similar to Kapitza resistance that leads to thermal decoupling in this latter combination. The implications for sympathetic cooling and thermometry using species-dependent lattices will be outlined.

  5. Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate.

    PubMed

    Glass, S; Li, G; Adler, F; Aulbach, J; Fleszar, A; Thomale, R; Hanke, W; Claessen, R; Schäfer, J

    2015-06-19

    Two-dimensional (2D) atom lattices provide model setups with Coulomb correlations that induce competing ground states. Here, SiC emerges as a wide-gap substrate with reduced screening. We report the first artificial high-Z atom lattice on SiC(0001) by Sn adatoms, based on experimental realization and theoretical modeling. Density-functional theory of our triangular structure model closely reproduces the scanning tunneling microscopy. Photoemission data show a deeply gapped state (∼2  eV gap), and, based on our calculations including dynamic mean-field theory, we argue that this reflects a pronounced Mott-insulating scenario. We also find indications that the system is susceptible to antiferromagnetic superstructures. Such artificial lattices on SiC(0001) thus offer a novel platform for coexisting Coulomb correlations and spin-orbit coupling, with bearing for unusual magnetic phases and proposed topological quantum states of matter. PMID:26197013

  6. Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate

    NASA Astrophysics Data System (ADS)

    Glass, S.; Li, G.; Adler, F.; Aulbach, J.; Fleszar, A.; Thomale, R.; Hanke, W.; Claessen, R.; Schäfer, J.

    2015-06-01

    Two-dimensional (2D) atom lattices provide model setups with Coulomb correlations that induce competing ground states. Here, SiC emerges as a wide-gap substrate with reduced screening. We report the first artificial high-Z atom lattice on SiC(0001) by Sn adatoms, based on experimental realization and theoretical modeling. Density-functional theory of our triangular structure model closely reproduces the scanning tunneling microscopy. Photoemission data show a deeply gapped state (˜2 eV gap), and, based on our calculations including dynamic mean-field theory, we argue that this reflects a pronounced Mott-insulating scenario. We also find indications that the system is susceptible to antiferromagnetic superstructures. Such artificial lattices on SiC(0001) thus offer a novel platform for coexisting Coulomb correlations and spin-orbit coupling, with bearing for unusual magnetic phases and proposed topological quantum states of matter.

  7. Interlayer-interaction dependence of latent heat in the Heisenberg model on a stacked triangular lattice with competing interactions

    NASA Astrophysics Data System (ADS)

    Tamura, Ryo; Tanaka, Shu

    2013-11-01

    We study the phase transition behavior of a frustrated Heisenberg model on a stacked triangular lattice by Monte Carlo simulations. The model has three types of interactions: the ferromagnetic nearest-neighbor interaction J1 and antiferromagnetic third nearest-neighbor interaction J3 in each triangular layer and the ferromagnetic interlayer interaction J⊥. Frustration comes from the intralayer interactions J1 and J3. We focus on the case that the order parameter space is SO(3)×C3. We find that the model exhibits a first-order phase transition with breaking of the SO(3) and C3 symmetries at finite temperature. We also discover that the transition temperature increases but the latent heat decreases as J⊥/J1 increases, which is opposite to the behavior observed in typical unfrustrated three-dimensional systems.

  8. Supersolidity, entropy, and frustration: t-t{sup '}-V model of hard-core bosons on the triangular lattice

    SciTech Connect

    Hassan, S. R.; Tremblay, A.-M. S.; Medici, L. de

    2007-10-01

    We study the properties of t-t{sup '}-V model of hard-core bosons on the triangular lattice that can be realized in optical lattices. By mapping to the spin-1/2 XXZ model in a field, we determine the phase diagram of the t-V model where the supersolid characterized by the ordering pattern (x,x,-2x{sup '}) (''ferrimagnetic'' or SS A) is a ground state for chemical potential {mu}>3V. By turning on either temperature or t{sup '} at half filling ({mu}=3V), we find a first order transition from SS A to the elusive supersolid characterized by the (x,-x,0) ordering pattern (''antiferromagnetic'' or SS C). In addition, we find a large region where a superfluid phase becomes a solid upon increasing temperature at fixed chemical potential. This is an analog of the Pomeranchuk effect driven by the large entropic effects associated with geometric frustration on the triangular lattice.

  9. Phase structure of the anisotropic antiferromagnetic Heisenberg model on a layered triangular lattice: Spiral state and deconfined spin liquid

    SciTech Connect

    Nakane, Kazuya; Kamijo, Takeshi; Ichinose, Ikuo

    2011-02-01

    In the present paper, we study a spin-1/2 antiferromagnetic (AF) Heisenberg model on layered anisotropic triangular lattice and obtain its phase structure. We use the Schwinger bosons for representing spin operators and also a coherent-state path integral for calculating physical quantities. Finite-temperature properties of the system are investigated by means of the numerical Monte-Carlo simulations. A detailed phase diagram of the system is obtained by calculating internal energy, specific heat, spin correlation functions, etc. There are AF Neel, paramagnetic, and spiral states. Turning on the plaquette term (i.e., the Maxwell term on a lattice) of an emergent U(1) gauge field that flips a pair of parallel spin-singlet bonds, we found that there appears a phase that is regarded as a deconfined spin-liquid state, though 'transition' to this phase from the paramagnetic phase is not of second order but a crossover. In that phase, the emergent gauge boson is a physical gapless excitation coupled with spinons. These results support our previous study on an AF Heisenberg model on a triangular lattice at vanishing temperature.

  10. Infrared-induced variation of the magnetic properties of a magnetoplasmonic film with a 3D sub-micron periodic triangular roof-type antireflection structure

    NASA Astrophysics Data System (ADS)

    Tian, Junlong; Zhang, Wang; Huang, Yiqiao; Liu, Qinglei; Wang, Yuhua; Zhang, Zhijian; Zhang, Di

    2015-01-01

    A carbon-matrix nickel composite magnetoplasmonic film with a 3D sub-micron periodic triangular roof-type antireflection structure (SPTAS) was fabricated via a simple and promising method that combines chemosynthesis with biomimetic techniques. The Troides helena (Linnaeus) forewing (T_FW) was chosen as the biomimetic template. The carbon-matrix Ni wing fabricated via electroless Ni deposition for 6 h (CNMF_6h) exhibits enhanced infrared absorption. Over a wavelength range (888-2500 nm), the enhancement of the infrared absorption of CNMF_6h is up to 1.85 times compared with the T_FW. Furthermore, infrared excitation induces a photothermal effect that results in variation in the magnetic properties of the carbon-matrix Ni wing. The magnetic properties were also confirmed using atomic force microscopy (AFM) and magnetic force microscopy (MFM). The good correlation between the AFM and MFM images demonstrates that the surface of the SPTAS of CNMF_6h exhibits strong magnetic properties. The infrared induced photothermal effect that results in magnetic variation is promising for use in the design of novel magnetoplasmonic films with potential applications in infrared information recording and heat-assisted magnetic recording.

  11. Infrared-induced variation of the magnetic properties of a magnetoplasmonic film with a 3D sub-micron periodic triangular roof-type antireflection structure.

    PubMed

    Tian, Junlong; Zhang, Wang; Huang, Yiqiao; Liu, Qinglei; Wang, Yuhua; Zhang, Zhijian; Zhang, Di

    2015-01-01

    A carbon-matrix nickel composite magnetoplasmonic film with a 3D sub-micron periodic triangular roof-type antireflection structure (SPTAS) was fabricated via a simple and promising method that combines chemosynthesis with biomimetic techniques. The Troides helena (Linnaeus) forewing (T_FW) was chosen as the biomimetic template. The carbon-matrix Ni wing fabricated via electroless Ni deposition for 6 h (CNMF_6h) exhibits enhanced infrared absorption. Over a wavelength range (888-2500 nm), the enhancement of the infrared absorption of CNMF_6h is up to 1.85 times compared with the T_FW. Furthermore, infrared excitation induces a photothermal effect that results in variation in the magnetic properties of the carbon-matrix Ni wing. The magnetic properties were also confirmed using atomic force microscopy (AFM) and magnetic force microscopy (MFM). The good correlation between the AFM and MFM images demonstrates that the surface of the SPTAS of CNMF_6h exhibits strong magnetic properties. The infrared induced photothermal effect that results in magnetic variation is promising for use in the design of novel magnetoplasmonic films with potential applications in infrared information recording and heat-assisted magnetic recording. PMID:25620787

  12. Infrared-induced variation of the magnetic properties of a magnetoplasmonic film with a 3D sub-micron periodic triangular roof-type antireflection structure

    PubMed Central

    Tian, Junlong; Zhang, Wang; Huang, Yiqiao; Liu, Qinglei; Wang, Yuhua; Zhang, Zhijian; Zhang, Di

    2015-01-01

    A carbon-matrix nickel composite magnetoplasmonic film with a 3D sub-micron periodic triangular roof-type antireflection structure (SPTAS) was fabricated via a simple and promising method that combines chemosynthesis with biomimetic techniques. The Troides helena (Linnaeus) forewing (T_FW) was chosen as the biomimetic template. The carbon-matrix Ni wing fabricated via electroless Ni deposition for 6 h (CNMF_6h) exhibits enhanced infrared absorption. Over a wavelength range (888–2500 nm), the enhancement of the infrared absorption of CNMF_6h is up to 1.85 times compared with the T_FW. Furthermore, infrared excitation induces a photothermal effect that results in variation in the magnetic properties of the carbon-matrix Ni wing. The magnetic properties were also confirmed using atomic force microscopy (AFM) and magnetic force microscopy (MFM). The good correlation between the AFM and MFM images demonstrates that the surface of the SPTAS of CNMF_6h exhibits strong magnetic properties. The infrared induced photothermal effect that results in magnetic variation is promising for use in the design of novel magnetoplasmonic films with potential applications in infrared information recording and heat-assisted magnetic recording. PMID:25620787

  13. Spin compensation temperature in the Monte Carlo study of a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on the decorated triangular lattice

    NASA Astrophysics Data System (ADS)

    Masrour, R.; Jabar, A.

    2016-07-01

    Mixed-spin-1 and spin-3/2 Ising model on the decorated triangular lattice is studied by the use of Monte Carlo simulation. Within this approach, the results for the ground-state of the antiferromagnetic and ferromagnetic of decorated triangular lattice are obtained. The reduced transition temperature of each sublattice are obtained. The reduced temperature of compensation is also obtained. The thermal total ratio of magnetic susceptibilities of sublattices is given. The effect of crystal field and exchange interactions on the magnetization of the system are detailed. The magnetic hysteresis cycles are found for different values of exchanges interactions between the same lattice and the two sublattices different, for different crystal filed and temperatures. In addition, very weak exchange interactions and for a higher temperatures and a higher crystal filed values the decorated triangular lattice has been exhibited the superparamagnetic behavior.

  14. Critical frontier of the Potts and percolation models on triangular-type and kagome-type lattices. II. Numerical analysis

    NASA Astrophysics Data System (ADS)

    Ding, Chengxiang; Fu, Zhe; Guo, Wenan; Wu, F. Y.

    2010-06-01

    In the preceding paper, one of us (F. Y. Wu) considered the Potts model and bond and site percolation on two general classes of two-dimensional lattices, the triangular-type and kagome-type lattices, and obtained closed-form expressions for the critical frontier with applications to various lattice models. For the triangular-type lattices Wu’s result is exact, and for the kagome-type lattices Wu’s expression is under a homogeneity assumption. The purpose of the present paper is twofold: First, an essential step in Wu’s analysis is the derivation of lattice-dependent constants A,B,C for various lattice models, a process which can be tedious. We present here a derivation of these constants for subnet networks using a computer algorithm. Second, by means of a finite-size scaling analysis based on numerical transfer matrix calculations, we deduce critical properties and critical thresholds of various models and assess the accuracy of the homogeneity assumption. Specifically, we analyze the q -state Potts model and the bond percolation on the 3-12 and kagome-type subnet lattices (n×n):(n×n) , n≤4 , for which the exact solution is not known. Our numerical determination of critical properties such as conformal anomaly and magnetic correlation length verifies that the universality principle holds. To calibrate the accuracy of the finite-size procedure, we apply the same numerical analysis to models for which the exact critical frontiers are known. The comparison of numerical and exact results shows that our numerical values are correct within errors of our finite-size analysis, which correspond to 7 or 8 significant digits. This in turn infers that the homogeneity assumption determines critical frontiers with an accuracy of 5 decimal places or higher. Finally, we also obtained the exact percolation thresholds for site percolation on kagome-type subnet lattices (1×1):(n×n) for 1≤n≤6 .

  15. The 3D split-ring cavity lattice: a new metastructure for engineering arrays of coupled microwave harmonic oscillators

    NASA Astrophysics Data System (ADS)

    Goryachev, Maxim; Tobar, Michael E.

    2015-02-01

    A new electromagnetic cavity structure, a lattice of 3D cavities consisting of an array of posts and gaps is presented. The individual cavity elements are based on the cylindrical re-entrant (or Klystron) cavity. We show that these cavities can also be thought of as 3D split-ring resonators, which is confirmed by applying symmetry transformations, each of which is an electromagnetic resonator with spatially separated magnetic and electric field. The characteristics of the cavity is used to mimic phonon behaviour of a one-dimensional (1D) chain of atoms. It is demonstrated how magnetic field coupling can lead to phonon-like dispersion curves with acoustical and optical branches. The system is able to reproduce a number of effects typical to 1D lattices exhibiting acoustic vibration, such as band gaps, phonon trapping, and effects of impurities. In addition, quasicrystal emulations predict the results expected from this class of ordered structures. The system is easily scalable to simulate two-dimensional and 3D lattices and shows a new way to engineer arrays of coupled microwave resonators with a variety of possible applications to hybrid quantum systems proposed.

  16. Toroidal order in a partially disordered state on a layered triangular lattice: implication to UNi4B

    NASA Astrophysics Data System (ADS)

    Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi

    2015-03-01

    A partial disorder on a layered triangular lattice is theoretically investigated from a viewpoint of toroidal ordering and magnetoelectric effects. We consider an extended periodic Anderson model including a site-dependent antisymmetric spin-orbit coupling between conduction and localized electrons. We show that, by the mean-field approximation, the model exhibits a coplanar vortex-lattice-type magnetic order as observed in a hexagonal uranium compound UNi4B, in the parameter region with intermediate hybridization and electron correlation. This peculiar state accommodates a toroidal order, which leads to the linear magnetoelectric effect. We discuss the implications of our results to UNi4B, focusing on the possible source of the site-dependent antisymmetric spin-orbit coupling.

  17. Strongly frustrated triangular spin lattice emerging from triplet dimer formation in honeycomb Li2IrO3

    NASA Astrophysics Data System (ADS)

    Nishimoto, Satoshi; Katukuri, Vamshi M.; Yushankhai, Viktor; Stoll, Hermann; Rößler, Ulrich K.; Hozoi, Liviu; Rousochatzakis, Ioannis; van den Brink, Jeroen

    2016-01-01

    Iridium oxides with a honeycomb lattice have been identified as platforms for the much anticipated Kitaev topological spin liquid: the spin-orbit entangled states of Ir4+ in principle generate precisely the required type of anisotropic exchange. However, other magnetic couplings can drive the system away from the spin-liquid phase. With this in mind, here we disentangle the different magnetic interactions in Li2IrO3, a honeycomb iridate with two crystallographically inequivalent sets of adjacent Ir sites. Our ab initio many-body calculations show that, while both Heisenberg and Kitaev nearest-neighbour couplings are present, on one set of Ir-Ir bonds the former dominates, resulting in the formation of spin-triplet dimers. The triplet dimers frame a strongly frustrated triangular lattice and by exact cluster diagonalization we show that they remain protected in a wide region of the phase diagram.

  18. Strongly frustrated triangular spin lattice emerging from triplet dimer formation in honeycomb Li2IrO3

    PubMed Central

    Nishimoto, Satoshi; Katukuri, Vamshi M.; Yushankhai, Viktor; Stoll, Hermann; Rößler, Ulrich K.; Hozoi, Liviu; Rousochatzakis, Ioannis; van den Brink, Jeroen

    2016-01-01

    Iridium oxides with a honeycomb lattice have been identified as platforms for the much anticipated Kitaev topological spin liquid: the spin-orbit entangled states of Ir4+ in principle generate precisely the required type of anisotropic exchange. However, other magnetic couplings can drive the system away from the spin-liquid phase. With this in mind, here we disentangle the different magnetic interactions in Li2IrO3, a honeycomb iridate with two crystallographically inequivalent sets of adjacent Ir sites. Our ab initio many-body calculations show that, while both Heisenberg and Kitaev nearest-neighbour couplings are present, on one set of Ir–Ir bonds the former dominates, resulting in the formation of spin-triplet dimers. The triplet dimers frame a strongly frustrated triangular lattice and by exact cluster diagonalization we show that they remain protected in a wide region of the phase diagram. PMID:26776664

  19. Detecting the Chern number of topological Weyl semimetals in 3D optical lattices

    NASA Astrophysics Data System (ADS)

    Zhang, Dan-Wei; Cao, Shuai

    2016-06-01

    We propose a realistic scheme to directly probe the Chern number of topological Weyl semimetals in optical lattices. The Weyl semimetal states can be realized with ultracold fermionic atoms trapped in three-dimensional optical lattices, and are topologically characterized by k z -dependent Chern number, where k z is the out-of-plane quasimomentum. We demonstrate with numerical simulations that this characteristic topological invariant can be extracted from the shift of the hybrid Wannier center in the optical lattice, based on the particle pumping approach. Through in situ measurement of atomic density, the topological properties of the Weyl semimetal states are then directly revealed.

  20. The J1-J2 Heisenberg model on the triangular lattice

    NASA Astrophysics Data System (ADS)

    McCulloch, Ian; Saadatmand, Seyed; Powell, Ben

    2015-03-01

    We study the J1-J2 spin-1/2 Heisenberg model on triangular cylinders using non-abelian DMRG techniques. This model exhibits a rich phase diagram in the J1-J2 plane with a quasi-long-range 120° order, valence-bond crystal and columnar phases. ARC Centre for Engineered Quantum Systems.

  1. Coupling-governed metamorphoses of the integrable nonlinear Schrödinger system on a triangular-lattice ribbon

    NASA Astrophysics Data System (ADS)

    Vakhnenko, Oleksiy O.

    2016-05-01

    The variativity of governing coupling parameters in the integrable nonlinear Schrödinger system on a triangular-lattice ribbon is shown to ensure the important qualitative rearrangements in the system dynamics. There are at least the two types of system crucial modifications stipulated by the two types of governing parameters. Thus the longitudinal coupling parameters regulated mainly by the background values of concomitant field variables are responsible for the bifurcation of primary integrable nonlinear system into the integrable nonlinear system of Ablowitz-Ladik type. As a consequence in a critical point the number of independent field variables is reduced by a half and the system Poisson structure turns out to be degenerate. On the other hand the transverse coupling parameters regulated basically by the choice of their a priori arbitrary dependencies on time are capable to incorporate the effect of external linear potential. As a consequence the primary integrable nonlinear system with appropriately adjusted parametrical driving becomes isomorphic to the system modeling the Bloch oscillations of charged nonlinear carriers in an electrically biased ribbon of triangular lattice. The multi-component structure of basic integrable system alongside with the attractive character of system nonlinearities has predetermined the logic of whole consideration.

  2. Spin frustration and magnetic ordering in triangular lattice antiferromagnet Ca3CoNb2O9

    NASA Astrophysics Data System (ADS)

    Dai, Jia; Zhou, Ping; Wang, Peng-Shuai; Pang, Fei; Munsie, Tim J.; Luke, Graeme M.; Zhang, Jin-Shan; Yu, Wei-Qiang

    2015-12-01

    We synthesized a quasi-two-dimensional distorted triangular lattice antiferromagnet Ca3CoNb2O9, in which the effective spin of Co2+ is 1/2 at low temperatures, whose magnetic properties were studied by dc susceptibility and magnetization techniques. The x-ray diffraction confirms the quality of our powder samples. The large Weiss constant θCW˜ -55 K and the low Neel temperature TN˜ 1.45 K give a frustration factor f = | θCW/TN | ≈ 38, suggesting that Ca3CoNb2O9 resides in strong frustration regime. Slightly below TN, deviation between the susceptibility data under zero-field cooling (ZFC) and field cooling (FC) is observed. A new magnetic state with 1/3 of the saturate magnetization Ms is suggested in the magnetization curve at 0.46 K. Our study indicates that Ca3CoNb2O9 is an interesting material to investigate magnetism in triangular lattice antiferromagnets with weak anisotropy. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374364 and 11222433), the National Basic Research Program of China (Grant No. 2011CBA00112). Research at McMaster University supported by the Natural Sciences and Engineering Research Council. Work at North China Electric Power University supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry.

  3. 2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.

    PubMed

    Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J

    2015-06-01

    The similar bis-bidentate coordination mode of oxalato and anilato-based ligands is exploited here to create the first examples of 2D and 3D heterometallic lattices based on anilato ligands combining M(I) and a M(III) ions, phases already observed with oxalato but unknown with anilato-type ligands. These lattices are prepared with alkaline metal ions and magnetic chiral tris(anilato)metalate molecular building blocks: [M(III)(C6O4X2)3](3-) (M(III) = Fe and Cr; X = Cl and Br; (C6O4X2)(2-) = dianion of the 3,6-disubstituted derivatives of 2,5-dihydroxy-1,4-benzoquinone, H4C6O4). The new compounds include two very similar 2D lattices formulated as (PBu3Me)2[NaCr(C6O4Br2)3] (1) and (PPh3Et)2[KFe(C6O4Cl2)3](dmf)2 (2), both presenting hexagonal [M(I)M(III)(C6O4X2)3](2-) honeycomb layers with (PBu3Me)(+) in 1 or (PPh3Et)(+) and dmf in 2 inserted between them. Minor modifications in the synthetic conditions yield the novel 3D lattice (NEt3Me)[Na(dmf)][NaFe(C6O4Cl2)3] (3), in which hexagonal layers analogous to 1 and 2 are interconnected through Na(+) cations, and (NBu3Me)2[NaCr(C6O4Br2)3] (4), the first heterometallic 3D lattice based on anilato ligands. This compound presents two interlocked chiral 3D (10,3) lattices with opposite chiralities. Attempts to prepare 4 in larger quantities result in the 2D polymorph of compound 4 (4'). Magnetic properties of compounds 1, 3, and 4' are reported, and in all cases we observe, as expected, paramagnetic behaviors that can be satisfactorily reproduced with simple monomer models including a zero field splitting (ZFS) of the corresponding S = 3/2 for Cr(III) in 1 and 4' or S = 5/2 for Fe(III) in 3. PMID:25965415

  4. Jamming and percolation in random sequential adsorption of extended objects on a triangular lattice with quenched impurities

    NASA Astrophysics Data System (ADS)

    Budinski-Petković, Lj; Lončarević, I.; Jakšić, Z. M.; Vrhovac, S. B.

    2016-05-01

    Random sequential adsorption (RSA) on a triangular lattice with defects is studied by Monte Carlo simulations. The lattice is initially randomly covered by point-like impurities at a certain concentration p. The deposited objects are formed by self-avoiding random walks on the lattice. Jamming coverage {θ\\text{jam}} and percolation threshold θ \\text{p}\\ast are determined for a wide range of impurity concentrations p for various object shapes. Rapidity of the approach to the jamming state is found to be independent on the impurity concentration. The jamming coverage {θ\\text{jam}} decreases with the impurity concentration p and this decrease is more prominent for objects of larger size. For a certain defect concentration, decrease of the jamming coverage with the length of the walk \\ell making the object is found to obey an exponential law, {θ\\text{jam}}={θ0}+{θ1}{{\\text{e}}-\\ell /r} . The results for RSA of polydisperse mixtures of objects of various sizes suggest that, in the presence of impurities, partial jamming coverage of small objects can have even larger values than in the case of an ideal lattice. Percolation in the presence of impurities is also studied and it is found that the percolation threshold θ \\text{p}\\ast is practically insensitive to the concentration of point defects p. Percolation can be reached at highest impurity concentrations with angled objects, and the critical defect concentration p c is lowest for the most compact objects.

  5. Dual FIB-SEM 3D imaging and lattice boltzmann modeling of porosimetry and multiphase flow in chalk.

    SciTech Connect

    Rinehart, Alex; Petrusak, Robin; Heath, Jason E.; Dewers, Thomas A.; Yoon, Hongkyu

    2010-12-01

    Mercury intrusion porosimetry (MIP) is an often-applied technique for determining pore throat distributions and seal analysis of fine-grained rocks. Due to closure effects, potential pore collapse, and complex pore network topologies, MIP data interpretation can be ambiguous, and often biased toward smaller pores in the distribution. We apply 3D imaging techniques and lattice-Boltzmann modeling in interpreting MIP data for samples of the Cretaceous Selma Group Chalk. In the Mississippi Interior Salt Basin, the Selma Chalk is the apparent seal for oil and gas fields in the underlying Eutaw Fm., and, where unfractured, the Selma Chalk is one of the regional-scale seals identified by the Southeast Regional Carbon Sequestration Partnership for CO2 injection sites. Dual focused ion - scanning electron beam and laser scanning confocal microscopy methods are used for 3D imaging of nanometer-to-micron scale microcrack and pore distributions in the Selma Chalk. A combination of image analysis software is used to obtain geometric pore body and throat distributions and other topological properties, which are compared to MIP results. 3D data sets of pore-microfracture networks are used in Lattice Boltzmann simulations of drainage (wetting fluid displaced by non-wetting fluid via the Shan-Chen algorithm), which in turn are used to model MIP procedures. Results are used in interpreting MIP results, understanding microfracture-matrix interaction during multiphase flow, and seal analysis for underground CO2 storage.

  6. Investigation the effect of lattice angle on the band gap width in 3D phononic crystals with rhombohedral(I) lattice

    NASA Astrophysics Data System (ADS)

    Salehi, H.; Aryadoust, M.; Shoushtari, M. Zargar

    2014-07-01

    In this paper, the propagation of acoustic waves in the phononic crystal of 3D with rhombohedral(I) lattice is studied theoretically. The crystal composite constituted of nickel spheres embedded in epoxy. The calculations of the band structure and density of states are performed with the plane wave expansion method in the irreducible part of Brillouin zone. In the present work, we have investigated the effect of lattice angle on the band structure and width of the band gap rhombohedral(I) lattice in the irreducible part of the first Brillouin zone and its planes separately. The results show that more than one complete band gape are formed in the four planes of the irreducible part. The most complete band gaps are formed in the (111) plane and the widest complete band gap in (443) with an angle greater than 80. So, if the sound passes through the (111) and (443) planes for the lattice angle close to 90, the crystal phononic displays the excellent insulation behavior. Moreover, in the other planes, the lattice angle does not affect on the width and the number of band gaps. Also, for the filling fraction 5 %, the widest complete band gap is formed. These results are consistent with the effect of symmetry on the band gap width, because the (111) plane has the most symmetry.

  7. Superconducting phase with the ( d + id) order parameter in an ensemble of Hubbard fermions on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Val'kov, V. V.; Val'kova, T. A.; Mitskan, V. A.

    2015-09-01

    In the framework of the t- J 1- J 2- V model, the integral equation determining the order parameter Δ( p) of the superconducting phase is derived for an ensemble of strongly correlated fermions on a triangular lattice using the diagram technique for the Hubbard operators. Taking into account the interaction between the Hubbard fermions within two coordination spheres, we demonstrate that the exact analytical solution Δ2( p) of this equation for the superconducting phase with the (( {{d_{{x^2} - {y^2}}} + i{d_{xy}}} )) symmetry can be expressed as a superposition of two chiral basis functions. This gives rise to a new set of nodal points for the complex parameter Δ2( p). Moreover, at some critical value x c of the charge carrier density, we obtain a gapless phase with six Dirac points. The passing of x through x = x c is accompanied by the topological quantum transition corresponding to the change in the topological parameter Q.

  8. Effect of further-neighbor interactions on the magnetization behaviors of the Ising model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Chen, J.; Zhuo, W. Z.; Qin, M. H.; Dong, S.; Zeng, M.; Lu, X. B.; Gao, X. S.; Liu, J.-M.

    2016-09-01

    In this work, we study the magnetization behaviors of the classical Ising model on the triangular lattice using Monte Carlo simulations, and pay particular attention to the effect of further-neighbor interactions. Several fascinating spin states are identified to be stabilized in certain magnetic field regions, respectively, resulting in the magnetization plateaus at 2/3, 5/7, 7/9 and 5/6 of the saturation magnetization M S, in addition to the well-known plateaus at 0, 1/3 and 1/2 of M S. The stabilization of these interesting orders can be understood as the consequence of the competition between Zeeman energy and exchange energy.

  9. Effect of further-neighbor interactions on the magnetization behaviors of the Ising model on a triangular lattice.

    PubMed

    Chen, J; Zhuo, W Z; Qin, M H; Dong, S; Zeng, M; Lu, X B; Gao, X S; Liu, J-M

    2016-09-01

    In this work, we study the magnetization behaviors of the classical Ising model on the triangular lattice using Monte Carlo simulations, and pay particular attention to the effect of further-neighbor interactions. Several fascinating spin states are identified to be stabilized in certain magnetic field regions, respectively, resulting in the magnetization plateaus at 2/3, 5/7, 7/9 and 5/6 of the saturation magnetization M S, in addition to the well-known plateaus at 0, 1/3 and 1/2 of M S. The stabilization of these interesting orders can be understood as the consequence of the competition between Zeeman energy and exchange energy. PMID:27356040

  10. Rare-Earth Triangular Lattice Spin Liquid: A Single-Crystal Study of YbMgGaO4

    NASA Astrophysics Data System (ADS)

    Li, Yuesheng; Chen, Gang; Tong, Wei; Pi, Li; Liu, Juanjuan; Yang, Zhaorong; Wang, Xiaoqun; Zhang, Qingming

    2015-10-01

    YbMgGaO4 , a structurally perfect two-dimensional triangular lattice with an odd number of electrons per unit cell and spin-orbit entangled effective spin-1 /2 local moments for the Yb3 + ions, is likely to experimentally realize the quantum spin liquid ground state. We report the first experimental characterization of single-crystal YbMgGaO4 samples. Because of the spin-orbit entanglement, the interaction between the neighboring Yb3 + moments depends on the bond orientations and is highly anisotropic in the spin space. We carry out thermodynamic and the electron spin resonance measurements to confirm the anisotropic nature of the spin interaction as well as to quantitatively determine the couplings. Our result is a first step towards the theoretical understanding of the possible quantum spin liquid ground state in this system and sheds new light on the search for quantum spin liquids in strong spin-orbit coupled insulators.

  11. Transfer Matrices and Partition-Function Zeros for Antiferromagnetic Potts Models. III. Triangular-Lattice Chromatic Polynomial

    NASA Astrophysics Data System (ADS)

    Jacobsen, Jesper Lykke; Salas, Jesús; Sokal, Alan D.

    2003-09-01

    We study the chromatic polynomial P G ( q) for m× n triangular-lattice strips of widths m≤12P,9F (with periodic or free transverse boundary conditions, respectively) and arbitrary lengths n (with free longitudinal boundary conditions). The chromatic polynomial gives the zero-temperature limit of the partition function for the q-state Potts antiferromagnet. We compute the transfer matrix for such strips in the Fortuin-Kasteleyn representation and obtain the corresponding accumulation sets of chromatic zeros in the complex q-plane in the limit n→∞. We recompute the limiting curve obtained by Baxter in the thermodynamic limit m, n→∞ and find new interesting features with possible physical consequences. Finally, we analyze the isolated limiting points and their relation with the Beraha numbers.

  12. Magnon breakdown in a two dimensional triangular lattice Heisenberg antiferromagnet of multiferroic LuMnO3.

    PubMed

    Oh, Joosung; Le, Manh Duc; Jeong, Jaehong; Lee, Jung-hyun; Woo, Hyungje; Song, Wan-Young; Perring, T G; Buyers, W J L; Cheong, S-W; Park, Je-Geun

    2013-12-20

    The breakdown of magnons, the quasiparticles of magnetic systems, has rarely been seen. By using an inelastic neutron scattering technique, we report the observation of spontaneous magnon decay in multiferroic LuMnO3, a simple two dimensional Heisenberg triangular lattice antiferromagnet, with large spin S=2. The origin of this rare phenomenon lies in the nonvanishing cubic interaction between magnons in the spin Hamiltonian arising from the noncollinear 120° spin structure. We observed all three key features of the nonlinear effects as theoretically predicted: a rotonlike minimum, a flat mode, and a linewidth broadening, in our inelastic neutron scattering measurements of single crystal LuMnO3. Our results show that quasiparticles in a system hitherto thought of as "classical" can indeed break down. PMID:24483753

  13. Muon spin rotation study of spin dimers on a triangular lattice in Ba3 MRu2 O9

    NASA Astrophysics Data System (ADS)

    Ziat, Djamel; Verrier, Aimé; Quilliam, Jeffrey; Aczel, Adam; Sinclair, Ryan; Chen, Qiang; Zhou, Haidong

    The family of hexagonal perovskites, Ba3 MA2 O9 has recently been proven to be fertile ground for the discovery of new, exotic magnetic phases, including several quantum spin liquid candidates. The 6H-perovskites can also accommodate spin dimers on a triangular lattice, as in the ruthenate materials Ba3MRu2O9. We will present measurements on materials containing M3 + (M = Y, La, Lu, In), which give rise to mixed valence Ru4.5 + ions wherein the orbital and charge degrees of freedom must also be considered. In particular, muon spin rotation (µSR) experiments, have allowed us to probe the nature of the magnetically ordered ground state of these materials at low temperatures.

  14. Single qubit gates on neutral atoms in a 3d Optical lattice

    NASA Astrophysics Data System (ADS)

    Kumar, Aishwarya; Wang, Yang; Zhang, Xianli; Corcovilos, Theodore A.; Weiss, David S.

    2015-05-01

    Neutral atoms are especially promising candidates for quantum computing because of their inherent scalability. To realize this scalability requires being able to manipulate the quantum information at target qubits with high fidelity and low crosstalk. We will present two single qubit gate addressing protocols. We have experimentally applied them both to targeted sites in a 5 × 5 × 5 3D array. The two distinct approaches both use crossed MEMS-mirror directed addressing beams along with microwave pulses to target atoms at single sites, while having minimal impact on the quantum information at non-target sites. Supported by DARPA, QUEST and ARO.

  15. Electromagnetic Scattering of Finite and Infinite 3D Lattices in Polarizable Backgrounds

    SciTech Connect

    Gallinet, Benjamin; Martin, Olivier J. F.

    2009-10-07

    A novel method is elaborated for the electromagnetic scattering from periodical arrays of scatterers embedded in a polarizable background. A dyadic periodic Green's function is introduced to calculate the scattered electric field in a lattice of dielectric or metallic objects. The method exhibits strong advantages: discretization and computation of the field are restricted to the volume of the scatterers in the unit cell, open and periodic boundary conditions for the electric field are included in the Green's tensor, and finally both near and far-fields physics are directly revealed, without any additional computational effort. Promising applications include the design of periodic structures such as frequency-selective surfaces, photonic crystals and metamaterials.

  16. Protein folding optimization based on 3D off-lattice model via an improved artificial bee colony algorithm.

    PubMed

    Li, Bai; Lin, Mu; Liu, Qiao; Li, Ya; Zhou, Changjun

    2015-10-01

    Protein folding is a fundamental topic in molecular biology. Conventional experimental techniques for protein structure identification or protein folding recognition require strict laboratory requirements and heavy operating burdens, which have largely limited their applications. Alternatively, computer-aided techniques have been developed to optimize protein structures or to predict the protein folding process. In this paper, we utilize a 3D off-lattice model to describe the original protein folding scheme as a simplified energy-optimal numerical problem, where all types of amino acid residues are binarized into hydrophobic and hydrophilic ones. We apply a balance-evolution artificial bee colony (BE-ABC) algorithm as the minimization solver, which is featured by the adaptive adjustment of search intensity to cater for the varying needs during the entire optimization process. In this work, we establish a benchmark case set with 13 real protein sequences from the Protein Data Bank database and evaluate the convergence performance of BE-ABC algorithm through strict comparisons with several state-of-the-art ABC variants in short-term numerical experiments. Besides that, our obtained best-so-far protein structures are compared to the ones in comprehensive previous literature. This study also provides preliminary insights into how artificial intelligence techniques can be applied to reveal the dynamics of protein folding. Graphical Abstract Protein folding optimization using 3D off-lattice model and advanced optimization techniques. PMID:26381910

  17. An effective evolutionary algorithm for protein folding on 3D FCC HP model by lattice rotation and generalized move sets

    PubMed Central

    2013-01-01

    Background Proteins are essential biological molecules which play vital roles in nearly all biological processes. It is the tertiary structure of a protein that determines its functions. Therefore the prediction of a protein's tertiary structure based on its primary amino acid sequence has long been the most important and challenging subject in biochemistry, molecular biology and biophysics. In the past, the HP lattice model was one of the ab initio methods that many researchers used to forecast the protein structure. Although these kinds of simplified methods could not achieve high resolution, they provided a macrocosm-optimized protein structure. The model has been employed to investigate general principles of protein folding, and plays an important role in the prediction of protein structures. Methods In this paper, we present an improved evolutionary algorithm for the protein folding problem. We study the problem on the 3D FCC lattice HP model which has been widely used in previous research. Our focus is to develop evolutionary algorithms (EA) which are robust, easy to implement and can handle various energy functions. We propose to combine three different local search methods, including lattice rotation for crossover, K-site move for mutation, and generalized pull move; these form our key components to improve previous EA-based approaches. Results We have carried out experiments over several data sets which were used in previous research. The results of the experiments show that our approach is able to find optimal conformations which were not found by previous EA-based approaches. Conclusions We have investigated the geometric properties of the 3D FCC lattice and developed several local search techniques to improve traditional EA-based approaches to the protein folding problem. It is known that EA-based approaches are robust and can handle arbitrary energy functions. Our results further show that by extensive development of local searches, EA can also be very

  18. Dual FIB-SEM 3D Imaging and Lattice Boltzmann Modeling of Porosimetry and Multiphase Flow in Chalk

    NASA Astrophysics Data System (ADS)

    Rinehart, A. J.; Yoon, H.; Dewers, T. A.; Heath, J. E.; Petrusak, R.

    2010-12-01

    Mercury intrusion porosimetry (MIP) is an often-applied technique for determining pore throat distributions and seal analysis of fine-grained rocks. Due to closure effects, potential pore collapse, and complex pore network topologies, MIP data interpretation can be ambiguous, and often biased toward smaller pores in the distribution. We apply 3D imaging techniques and lattice-Boltzmann modeling in interpreting MIP data for samples of the Cretaceous Selma Group Chalk. In the Mississippi Interior Salt Basin, the Selma Chalk is the apparent seal for oil and gas fields in the underlying Eutaw Fm., and, where unfractured, the Selma Chalk is one of the regional-scale seals identified by the Southeast Regional Carbon Sequestration Partnership for CO2 injection sites. Dual focused ion - scanning electron beam and laser scanning confocal microscopy methods are used for 3D imaging of nanometer-to-micron scale microcrack and pore distributions in the Selma Chalk. A combination of image analysis software is used to obtain geometric pore body and throat distributions and other topological properties, which are compared to MIP results. 3D data sets of pore-microfracture networks are used in Lattice Boltzmann simulations of drainage (wetting fluid displaced by non-wetting fluid via the Shan-Chen algorithm), which in turn are used to model MIP procedures. Results are used in interpreting MIP results, understanding microfracture-matrix interaction during multiphase flow, and seal analysis for underground CO2 storage. This work was supported by the US Department of Energy, Office of Basic Energy Sciences as part of an Energy Frontier Research Center. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-AC04-94AL85000.

  19. Local rules for protein folding on a triangular lattice and generalized hydrophobicity in the HP model

    SciTech Connect

    Agarwala, R.; Batzoglou, S.; Dancik, V.

    1997-12-01

    A long standing problem in molecular biology is to determine the three-dimensional structure of a protein, given its amino acid sequence. A variety of simplifying models have been proposed abstracting only the {open_quotes}essential physical properties{close_quotes} of real proteins. In these models, the three dimensional space is often represented by a lattice. Residues which are adjacent in the primary sequence (i.e. covalently linked) must be placed at adjacent points in the lattice. A conformation of a protein is simply a self-avoiding walk along the lattice. The protein folding problem STRING-FOLD is that of finding a conformation of the protein sequence on the lattice such that the overall energy is minimized, for some reasonable definition of energy. This formulation leaves open the choices of a lattice and an energy function. Once these choices are made, one may then address the algorithmic complexity of optimizing the energy function for the lattice. For a variety of such simple models, this minimization problem is in fact NP-hard. In this paper, we consider the Hydrophobic-Polar (HP) Model introduced by Dill. The HP model abstracts the problem by grouping the 20 amino acids into two classes: hydrophobic (or non-polar) residues and hydrophilic (or polar) residues. For concreteness, we will take our input to be a string from (H,P){sup +}, where P represents polar residues, and H represents hydrophobic residues. Dill et.al. survey the literature analyzing this model. 8 refs., 2 figs., 1 tab.

  20. Lattice Boltzmann simulation of a fluid flow around a triangular unit of three isothermal cylinders

    NASA Astrophysics Data System (ADS)

    Alinejad, J.

    2016-01-01

    The lattice Boltzmann method is employed to simulate heat transfer in the flow past three arrangements of elliptical and circular cylinders under an isothermal boundary condition. The lattice Boltzmann equations and the Bhatnagar-Gross-Krook model are used to simulate two-dimensional forced convection at 30 ≤ Re ≤ 100 and Pr = 0.71. Pressure distributions, isotherms, and streamlines are obtained. Vortex shedding maps are observed in detail for several cases. The present results are in good agreement with available experimental and numerical data.

  1. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    DOE PAGESBeta

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; et al

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamicsmore » in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.« less

  2. LBM-EP: Lattice-Boltzmann method for fast cardiac electrophysiology simulation from 3D images.

    PubMed

    Rapaka, S; Mansi, T; Georgescu, B; Pop, M; Wright, G A; Kamen, A; Comaniciu, Dorin

    2012-01-01

    Current treatments of heart rhythm troubles require careful planning and guidance for optimal outcomes. Computational models of cardiac electrophysiology are being proposed for therapy planning but current approaches are either too simplified or too computationally intensive for patient-specific simulations in clinical practice. This paper presents a novel approach, LBM-EP, to solve any type of mono-domain cardiac electrophysiology models at near real-time that is especially tailored for patient-specific simulations. The domain is discretized on a Cartesian grid with a level-set representation of patient's heart geometry, previously estimated from images automatically. The cell model is calculated node-wise, while the transmembrane potential is diffused using Lattice-Boltzmann method within the domain defined by the level-set. Experiments on synthetic cases, on a data set from CESC'10 and on one patient with myocardium scar showed that LBM-EP provides results comparable to an FEM implementation, while being 10 - 45 times faster. Fast, accurate, scalable and requiring no specific meshing, LBM-EP paves the way to efficient and detailed models of cardiac electrophysiology for therapy planning. PMID:23286029

  3. Numerical study of the spin-glass transition in a dilute Ising model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Andérico, Carmen Z.; Fernández, Julio F.; Streit, Thomas S. J.

    1982-10-01

    We study an Ising model with nearest-neighbor antiferromagnetic interactions. It is placed on a triangular lattice, where each site is occupied by a spin with x probability. There is no applied magnetic field. Randomness and frustration, two essential ingredients of spin-glasses, are present in this model. We study its critical properties here. The entropy is obtained by a transfer-matrix calculation as a function of x at low temperature (T=0.3JkB) for systems on a lattice of 10 × 20 sites. A fairly shallow minimum appears near x~=0.9, which suggests that this case is the one most likely to show a transition into an ordered state at low temperature. We study the cases x=1, 0.9, and 0.74, which is about half-way to the critical percolation. We simulate systems on lattices of 50 × 50 sites and 30 × 30 sites by the Monte Carlo method. The specific heat has a broad maximum at T~=0.9 for x=0.74 and 0.9. χSG, defined by χSG=N-1 i,j<σiσj>2, and the relaxation time (τ) are obtained for T>=0.6JkB. Both quantities, τ and χSG, turn out to be proportional to exp[A(T-T0)c] and 0<=T0<~0.4 a fit with T0=0 yields c~1 for x=1 but c~2 for x=0.74 and 0.9.

  4. Critical behavior of a triangular lattice Ising AF/FM bilayer

    NASA Astrophysics Data System (ADS)

    Žukovič, M.; Bobák, A.

    2016-03-01

    We study a bilayer Ising spin system consisting of antiferromagnetic (AF) and ferromagnetic (FM) triangular planes, coupled by ferromagnetic exchange interaction, by standard Monte Carlo and parallel tempering methods. The AF/FM bilayer is found to display the critical behavior completely different from both the single FM and AF constituents as well as the FM/FM and AF/AF bilayers. Namely, by finite-size scaling (FSS) analysis we identify at the same temperature a standard Ising transition from the paramagnetic to FM state in the FM plane that induces a ferrimagnetic state with a finite net magnetic moment in the AF plane. At lower temperatures there is another phase transition, that takes place only in the AF plane, to different ferrimagnetic state with spins on two sublattices pointing parallel and on one sublattice antiparallel to the spins on the FM plane. FSS indicates that the corresponding critical exponents are close to the two-dimensional three-state ferromagnetic Potts model values.

  5. Engineering interconnected 3D vascular networks in hydrogels using molded sodium alginate lattice as the sacrificial template.

    PubMed

    Wang, Xue-Ying; Jin, Zi-He; Gan, Bo-Wen; Lv, Song-Wei; Xie, Min; Huang, Wei-Hua

    2014-08-01

    Engineering 3D perfusable vascular networks in vitro and reproducing the physiological environment of blood vessels is very challenging for tissue engineering and investigation of blood vessel function. Here, we engineer interconnected 3D microfluidic vascular networks in hydrogels using molded sodium alginate lattice as sacrificial templates. The sacrificial templates are rapidly replicated in polydimethylsiloxane (PDMS) microfluidic chips via Ca⁺²-crosslinking and then fully encapsulated in hydrogels. Interconnected channels with well controlled size and morphology are obtained by dissolving the monolayer or multilayer templates with EDTA solution. The human umbilical vein endothelial cells (HUVECs) are cultured on the channel linings and proliferated to form vascular lumens. The strong cell adhesion capability and adaptive response to shear stress demonstrate the excellent cytocompatibility of both the template and template-sacrificing process. Furthermore, the barrier function of the endothelial layer is characterized and the results show that a confluent endothelial monolayer is fully developed. Taken together, we develop a facile and rapid approach to engineer a vascular model that could be potentially used in physiological studies of vascular functions and vascular tissue engineering. PMID:24887141

  6. Finite-temperature properties of the triangular lattice t-J model and applications to NaxCoO2

    NASA Astrophysics Data System (ADS)

    Haerter, Jan O.; Peterson, Michael R.; Shastry, B. Sriram

    2006-12-01

    We present a finite temperature (T) study of the t-J model on the two-dimensional triangular lattice for the negative hopping t , as relevant for the electron-doped NaxCoO2 (NCO). We study several thermodynamic and transport properties in this study: the T -dependent chemical potential, specific heat, magnetic susceptibility, and the dynamic Hall coefficient across the entire doping range. We show systematically how this simplest model for strongly correlated electrons describes a crossover as function of doping (x) from a Pauli-like weakly spin-correlated metal close to the band limit (density n=2 ) to the Curie-Weiss metallic phase (1.5lattice. NCO has t<0 , hence the opposite sign of the Nagaoka-ferromagnetic situation, this expression includes the subtle effect of weak kinetic AFM [Haerter and Shastry, Phys. Rev. Lett. 95, 087202 (2005)], as encountered in the infinitely correlated situation (U=∞) for electronic frustration. By explicit computation of the Kubo formulas, we address the question of practical relevance of the high-frequency expression for the Hall coefficient RH* [Shastry , Phys. Rev. Lett. 70, 2004 (1993)]. We hope to clarify some open questions concerning the applicability of the t-J model to real experimental situations through this study.

  7. Competition between supersolid phases and magnetization plateaus in the frustrated easy-axis antiferromagnet on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Seabra, Luis; Shannon, Nic

    2011-04-01

    The majority of magnetic materials possess some degree of magnetic anisotropy, either at the level of a single ion, or in the exchange interactions between different magnetic ions. Where these exchange interactions are also frustrated, the competition between them and anisotropy can stabilize a wide variety of new phases in applied magnetic field. Motivated by the hexagonal delafossite 2H-AgNiO2, we study the Heisenberg antiferromagnet on a layered triangular lattice with competing first- and second-neighbor interactions and single-ion easy-axis anisotropy. Using a combination of classical Monte Carlo simulation, mean-field analysis, and Landau theory, we establish the magnetic phase diagram of this model as a function of temperature and magnetic field for a fixed ratio of exchange interactions, but with values of easy-axis anisotropy D extending from the Heisenberg (D=0) to the Ising (D=∞) limits. We uncover a rich variety of different magnetic phases. These include several phases which are magnetic supersolids (in the sense of Matsuda and Tsuneto or Liu and Fisher), one of which may already have been observed in AgNiO2. We explore how this particular supersolid arises through the closing of a gap in the spin-wave spectrum, and how it competes with rival collinear phases as the easy-axis anisotropy is increased. The finite temperature properties of this phase are found to be different from those of any previously studied magnetic supersolid.

  8. Phase transitions in a two-dimensional antiferromagnetic Potts model on a triangular lattice with next-nearest neighbor interactions

    NASA Astrophysics Data System (ADS)

    Babaev, A. B.; Magomedov, M. A.; Murtazaev, A. K.; Kassan-Ogly, F. A.; Proshkin, A. I.

    2016-02-01

    Phase transitions (PTs) and frustrations in two-dimensional structures described by a three-vertex antiferromagnetic Potts model on a triangular lattice are investigated by the Monte Carlo method with regard to nearest and next-nearest neighbors with interaction constants J 1 and J 2, respectively. PTs in these models are analyzed for the ratio r = J 2/ J 1 of next-nearest to nearest exchange interaction constants in the interval | r| = 0-1.0. On the basis of the analysis of the low-temperature entropy, the density of states function of the system, and the fourth-order Binder cumulants, it is shown that a Potts model with interaction constants J 1 < 0 and J 2 < 0 exhibits a first-order PT in the range of 0 ⩽ r < 0.2, whereas, in the interval 0.2 ⩽ r ⩽ 1.0, frustrations arise in the system. At the same time, for J 1 > 0 and J 2 < 0, frustrations arise in the range 0.5 < | r| < 1.0, while, in the interval 0 ⩽ | r| ⩽ 1/3, the model exhibits a second-order PT.

  9. Magnetic Excitations in the Orbitally Degenerate Triangular Lattice LiVO2 Studied by Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Tian, W.; Stone, M. B.; Mandrus, D. G.; Sales, B. C.; Jin, R.; Adroja, D. T.; Perring, T.; Nagler, S. E.

    2006-03-01

    Inelastic neutron scattering experiments were performed to study a two dimensional triangular lattice material LiVO2 (S=1, V^3+ ions) with orbital ordering involving threefold degenerate t2g orbitals. At Tt 500 K, LiVO2 undergoes a first order phase transition, accompanied by a large reduction in the magnetic susceptibility in the low temperature phase. It has been proposed that this phase transition is associated with the formation of trimers of V^3+ ions yielding a spin-singlet ground state. We report inelastic neutron scattering measurements on powder and single crystal samples of LiVO2 carried out using the HET and MAPS spectrometers at ISIS. At low temperature, several magnetic excitations with energy transfers as large as several hundred meV were observed. We propose that the observed multiple magnetic excitations arise from the orbital ordering. Model calculations for trimers including an orbital-ordering term showing qualitatively similar spectra suggesting that localized orbiton excitations have been observed in LiVO2.

  10. Rare-Earth Triangular Lattice Spin Liquid: A Single-Crystal Study of YbMgGaO4.

    PubMed

    Li, Yuesheng; Chen, Gang; Tong, Wei; Pi, Li; Liu, Juanjuan; Yang, Zhaorong; Wang, Xiaoqun; Zhang, Qingming

    2015-10-16

    YbMgGaO4, a structurally perfect two-dimensional triangular lattice with an odd number of electrons per unit cell and spin-orbit entangled effective spin-1/2 local moments for the Yb(3+) ions, is likely to experimentally realize the quantum spin liquid ground state. We report the first experimental characterization of single-crystal YbMgGaO4 samples. Because of the spin-orbit entanglement, the interaction between the neighboring Yb(3+) moments depends on the bond orientations and is highly anisotropic in the spin space. We carry out thermodynamic and the electron spin resonance measurements to confirm the anisotropic nature of the spin interaction as well as to quantitatively determine the couplings. Our result is a first step towards the theoretical understanding of the possible quantum spin liquid ground state in this system and sheds new light on the search for quantum spin liquids in strong spin-orbit coupled insulators. PMID:26550899

  11. Field-induced phase transitions and magnetoferroelectricity in the perfect triangular lattice antiferromagnet RbFe(MoO4)2 in a vertical magnetic field

    NASA Astrophysics Data System (ADS)

    Mitamura, Hiroyuki; Watanuki, Ryuta; Onozaki, Norimichi; Amou, Yuta; Kono, Yohei; Kittaka, Shunichiro; Shimura, Yasuyuki; Yamamoto, Isao; Suzuki, Kazuya; Sakakibara, Toshiro

    2016-02-01

    We performed electric polarization P, dielectric constant ɛ and magnetization M measurements on the perfect triangular-lattice antiferromagnet RbFe(MoO4)2 in high magnetic fields B applied along the c-axis. Whereas M(B) at T=1.5 K monotonically increases with B up to the saturation at Bs = 21 T, P(B) disappears about 14 T, far below the saturation point. In a field range 13 ≤ B ≤ 14 T, the temperature variation of ɛ shows a double peak structure below 2.8 K, indicating two successive transitions. These results strongly suggest the presence of a new high-field phase; the magnetic structure changes from a low-field conical state having chirality to a high-field coplanar non-collinear structure without chirality. The obtained phase diagram is in agreement with a theoretical prediction on XY-like Heisenberg spin triangular lattice antiferromagnets.

  12. Variational wave functions for the S =1/2 Heisenberg model on the anisotropic triangular lattice: Spin liquids and spiral orders

    NASA Astrophysics Data System (ADS)

    Ghorbani, Elaheh; Tocchio, Luca F.; Becca, Federico

    2016-02-01

    By using variational wave functions and quantum Monte Carlo techniques, we investigate the complete phase diagram of the Heisenberg model on the anisotropic triangular lattice, where two out of three bonds have superexchange couplings J and the third one has instead J'. This model interpolates between the square lattice and the isotropic triangular one, for J'/J ≤1 , and between the isotropic triangular lattice and a set of decoupled chains, for J /J'≤1 . We consider all the fully symmetric spin liquids that can be constructed with the fermionic projective-symmetry group classification (Zhou and Wen, arXiv:cond-mat/0210662) and we compare them with the spiral magnetic orders that can be accommodated on finite clusters. Our results show that, for J'/J ≤1 , the phase diagram is dominated by magnetic orderings, even though a spin-liquid state may be possible in a small parameter window, i.e., 0.7 ≲J'/J ≲0.8 . In contrast, for J /J'≤1 , a large spin-liquid region appears close to the limit of decoupled chains, i.e., for J /J'≲0.6 , while magnetically ordered phases with spiral order are stabilized close to the isotropic point.

  13. Efficient Second Harmonic Generation in 3D Nonlinear Optical-Lattice-Like Cladding Waveguide Splitters by Femtosecond Laser Inscription.

    PubMed

    Nie, Weijie; Jia, Yuechen; Vázquez de Aldana, Javier R; Chen, Feng

    2016-01-01

    Integrated photonic devices with beam splitting function are intriguing for a broad range of photonic applications. Through optical-lattice-like cladding waveguide structures fabricated by direct femtosecond laser writing, the light propagation can be engineered via the track-confined refractive index profiles, achieving tailored output beam distributions. In this work, we report on the fabrication of 3D laser-written optical-lattice-like structures in a nonlinear KTP crystal to implement 1 × 4 beam splitting. Second harmonic generation (SHG) of green light through these nonlinear waveguide beam splitter structures provides the capability for the compact visible laser emitting devices. With Type II phase matching of the fundamental wavelength (@ 1064 nm) to second harmonic waves (@ 532 nm), the frequency doubling has been achieved through this three-dimensional beam splitter. Under 1064-nm continuous-wave fundamental-wavelength pump beam, guided-wave SHG at 532 nm are measured with the maximum power of 0.65 mW and 0.48 mW for waveguide splitters (0.67 mW and 0.51 mW for corresponding straight channel waveguides), corresponding to a SH conversion efficiency of approximately ~14.3%/W and 13.9%/W (11.2%/W, 11.3%/W for corresponding straight channel waveguides), respectively. This work paves a way to fabricate compact integrated nonlinear photonic devices in a single chip with beam dividing functions. PMID:26924255

  14. Efficient Second Harmonic Generation in 3D Nonlinear Optical-Lattice-Like Cladding Waveguide Splitters by Femtosecond Laser Inscription

    NASA Astrophysics Data System (ADS)

    Nie, Weijie; Jia, Yuechen; Vázquez de Aldana, Javier R.; Chen, Feng

    2016-02-01

    Integrated photonic devices with beam splitting function are intriguing for a broad range of photonic applications. Through optical-lattice-like cladding waveguide structures fabricated by direct femtosecond laser writing, the light propagation can be engineered via the track-confined refractive index profiles, achieving tailored output beam distributions. In this work, we report on the fabrication of 3D laser-written optical-lattice-like structures in a nonlinear KTP crystal to implement 1 × 4 beam splitting. Second harmonic generation (SHG) of green light through these nonlinear waveguide beam splitter structures provides the capability for the compact visible laser emitting devices. With Type II phase matching of the fundamental wavelength (@ 1064 nm) to second harmonic waves (@ 532 nm), the frequency doubling has been achieved through this three-dimensional beam splitter. Under 1064-nm continuous-wave fundamental-wavelength pump beam, guided-wave SHG at 532 nm are measured with the maximum power of 0.65 mW and 0.48 mW for waveguide splitters (0.67 mW and 0.51 mW for corresponding straight channel waveguides), corresponding to a SH conversion efficiency of approximately ~14.3%/W and 13.9%/W (11.2%/W, 11.3%/W for corresponding straight channel waveguides), respectively. This work paves a way to fabricate compact integrated nonlinear photonic devices in a single chip with beam dividing functions.

  15. Efficient Second Harmonic Generation in 3D Nonlinear Optical-Lattice-Like Cladding Waveguide Splitters by Femtosecond Laser Inscription

    PubMed Central

    Nie, Weijie; Jia, Yuechen; Vázquez de Aldana, Javier R.; Chen, Feng

    2016-01-01

    Integrated photonic devices with beam splitting function are intriguing for a broad range of photonic applications. Through optical-lattice-like cladding waveguide structures fabricated by direct femtosecond laser writing, the light propagation can be engineered via the track-confined refractive index profiles, achieving tailored output beam distributions. In this work, we report on the fabrication of 3D laser-written optical-lattice-like structures in a nonlinear KTP crystal to implement 1 × 4 beam splitting. Second harmonic generation (SHG) of green light through these nonlinear waveguide beam splitter structures provides the capability for the compact visible laser emitting devices. With Type II phase matching of the fundamental wavelength (@ 1064 nm) to second harmonic waves (@ 532 nm), the frequency doubling has been achieved through this three-dimensional beam splitter. Under 1064-nm continuous-wave fundamental-wavelength pump beam, guided-wave SHG at 532 nm are measured with the maximum power of 0.65 mW and 0.48 mW for waveguide splitters (0.67 mW and 0.51 mW for corresponding straight channel waveguides), corresponding to a SH conversion efficiency of approximately ~14.3%/W and 13.9%/W (11.2%/W, 11.3%/W for corresponding straight channel waveguides), respectively. This work paves a way to fabricate compact integrated nonlinear photonic devices in a single chip with beam dividing functions. PMID:26924255

  16. Modified Iterated perturbation theory in the strong coupling regime and its application to the 3d FCC lattice

    NASA Astrophysics Data System (ADS)

    Arsenault, Louis-François; Sémon, Patrick; Shastry, B. Sriram; Tremblay, A.-M. S.

    2012-02-01

    The Dynamical Mean-Field theory(DMFT) approach to the Hubbard model requires a method to solve the problem of a quantum impurity in a bath of non-interacting electrons. Iterated Perturbation Theory(IPT)[1] has proven its effectiveness as a solver in many cases of interest. Based on general principles and on comparisons with an essentially exact Continuous-Time Quantum Monte Carlo (CTQMC)[2], here we show that the standard implementation of IPT fails when the interaction is much larger than the bandwidth. We propose a slight modification to the IPT algorithm by requiring that double occupancy calculated with IPT gives the correct value. We call this method IPT-D. We show how this approximate impurity solver compares with respect to CTQMC. We consider a face centered cubic lattice(FCC) in 3d for different physical properties. We also use IPT-D to study the thermopower using two recently proposed approximations[3]S^* and SKelvin that do not require analytical continuation and show how thermopower is essentially the entropy per particle in the incoherent regime but not in the coherent one.[1]H.Kajueter et al. Phys. Rev. Lett. 77, 131(1996)[2]P. Werner, et al. Phys. Rev. Lett. 97, 076405(2006)[3]B.S. Sriram Shastry Rep. Prog. Phys. 72 016501(2009)

  17. Commensurate and incommensurate magnetic order in spin-1 chains stacked on the triangular lattice in Li2NiW2O8

    NASA Astrophysics Data System (ADS)

    Ranjith, K. M.; Nath, R.; Majumder, M.; Kasinathan, D.; Skoulatos, M.; Keller, L.; Skourski, Y.; Baenitz, M.; Tsirlin, A. A.

    2016-07-01

    We report the thermodynamic properties, magnetic ground state, and microscopic magnetic model of the spin-1 frustrated antiferromagnet Li2NiW2O8 , showing successive transitions at TN 1≃18 K and TN 2≃12.5 K in zero field. Nuclear magnetic resonance and neutron diffraction reveal collinear and commensurate magnetic order with the propagation vector k =(1/2 ,0 ,1/2 ) below TN 2. The ordered moment of 1.8 μB at 1.5 K is directed along [0.89 (9 ),-0.10 (5 ),-0.49 (6 )] and matches the magnetic easy axis of spin-1 Ni2 + ions, which is determined by the scissor-like distortion of the NiO6 octahedra. Incommensurate magnetic order, presumably of spin-density-wave type, is observed in the region between TN 2 and TN 1. Density-functional band-structure calculations put forward a three-dimensional spin lattice with spin-1 chains running along the [01 1 ¯] direction and stacked on a spatially anisotropic triangular lattice in the a b plane. We show that the collinear magnetic order in Li2NiW2O8 is incompatible with the triangular lattice geometry and thus driven by a pronounced easy-axis single-ion anisotropy of Ni2 +.

  18. Effect of quenched-in nonmagnetic impurities on phase transitions in a two-dimensional antiferromagnetic three-vertex Potts model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Murtazaev, A. K.; Babaev, A. B.; Ataeva, G. Ya.

    2015-07-01

    The effect of quenched-in nonmagnetic impurities on phase transitions in a two-dimensional diluted antiferromagnetic three-vertex Potts model on a triangular lattice has been investigated using the Monte Carlo method. The systems with linear dimensions L × L = N and L = 9-144 have been considered. It has been shown using the fourth-order Binder cumulant method that the introduction of a quenched-in disorder into a spin system described by the two-dimensional antiferromagnetic Potts model leads to a change from the first-order phase transition to the second-order phase transition.

  19. 3D finite element analysis of electrostatic deflection of commercial and FIB-modified cantilevers for electric and Kelvin force microscopy: I. Triangular shaped cantilevers with symmetric pyramidal tips.

    PubMed

    Valdrè, Giovanni; Moro, Daniele

    2008-10-01

    The investigation of the nanoscale distribution of electrostatic forces on material surfaces is of paramount importance for the development of nanotechnology, since these confined forces govern many physical processes on which a large number of technological applications are based. For instance, electric force microscopy (EFM) and micro-electro-mechanical-systems (MEMS) are technologies based on an electrostatic interaction between a cantilever and a specimen. In the present work we report on a 3D finite element analysis of the electrostatic deflection of cantilevers for electric and Kelvin force microscopy. A commercial triangular shaped cantilever with a symmetric pyramidal tip was modelled. In addition, the cantilever was modified by a focused ion beam (FIB) in order to reduce its parasitic electrostatic force, and its behaviour was studied by computation analysis. 3D modelling of the electrostatic deflection was realized by using a multiphysics finite element analysis software and it was applied to the real geometry of the cantilevers and probes obtained by using basic CAD tools. The results of the modelling are in good agreement with experimental data. PMID:21832617

  20. 3D finite element analysis of electrostatic deflection of commercial and FIB-modified cantilevers for electric and Kelvin force microscopy: I. Triangular shaped cantilevers with symmetric pyramidal tips

    NASA Astrophysics Data System (ADS)

    Valdrè, Giovanni; Moro, Daniele

    2008-10-01

    The investigation of the nanoscale distribution of electrostatic forces on material surfaces is of paramount importance for the development of nanotechnology, since these confined forces govern many physical processes on which a large number of technological applications are based. For instance, electric force microscopy (EFM) and micro-electro-mechanical-systems (MEMS) are technologies based on an electrostatic interaction between a cantilever and a specimen. In the present work we report on a 3D finite element analysis of the electrostatic deflection of cantilevers for electric and Kelvin force microscopy. A commercial triangular shaped cantilever with a symmetric pyramidal tip was modelled. In addition, the cantilever was modified by a focused ion beam (FIB) in order to reduce its parasitic electrostatic force, and its behaviour was studied by computation analysis. 3D modelling of the electrostatic deflection was realized by using a multiphysics finite element analysis software and it was applied to the real geometry of the cantilevers and probes obtained by using basic CAD tools. The results of the modelling are in good agreement with experimental data.

  1. Numerical Simulation of Boiling Two-Phase Flow in Tight-Lattice Rod Bundle by 3-Dimensional Two-Fluid Model Code ACE-3D

    NASA Astrophysics Data System (ADS)

    Yoshida, Hiroyuki; Misawa, Takeharu; Takase, Kazuyuki

    Two-fluid model can simulate two-phase flow by computational cost less than detailed two-phase flow simulation method such as interface tracking method or particle interaction method. Therefore, two-fluid model is useful for thermal hydraulic analysis in large-scale domain such as a rod bundle. Japan Atomic Energy Agency (JAEA) develops three dimensional two-fluid model analysis code ACE-3D that adopts boundary fitted coordinate system in order to simulate complex shape flow channel. In this paper, boiling two-phase flow analysis in a tight-lattice rod bundle was performed by ACE-3D code. The parallel computation using 126 CPUs was applied to this analysis. In the results, the void fraction, which distributes in outermost region of rod bundle, is lower than that in center region of rod bundle. The tendency of void fraction distribution agreed with the measurement results by neutron radiography qualitatively. To evaluate effects of two-phase flow model used in ACE-3D code, numerical simulation of boiling two-phase in tight-lattice rod bundle with no lift force model was also performed. From the comparison of calculated results, it was concluded that the effects of lift force model were not so large for overall void fraction distribution of tight-lattice rod bundle. However, the lift force model is important for local void fraction distribution of fuel bundles.

  2. Nonmagnetic Impurity Effect on Magnetic Phase Transitions in an Isosceles Triangular Lattice Ising Chain Antiferromagnet CoNb2O6

    NASA Astrophysics Data System (ADS)

    Nakajima, Taro; Mitsuda, Setsuo; Okano, Hidekazu; Inomoto, Yu; Kobayashi, Satoru; Prokes, Karel; Gerischer, Sebastian; Smeibidl, Peter

    2014-09-01

    We have investigated nonmagnetic impurity effect on the H||c-T magnetic phase diagram of an isosceles triangular lattice Ising antiferromagnet CoNb2O6, by means of neutron diffraction measurements using single crystals of Co1-xMgxNb2O6 with x = 0, 0.004, and 0.008. We have found that the commensurate antiferromagnetic (AF) ground state disappears by substituting only 0.8% of nonmagnetic Mg2+ ions for the magnetic Co2+ ions. On the other hand, the phase boundaries between the other phases, namely the field-induced ferrimagnetic phase, thermally-induced incommensurate (IC) magnetic phase and the paramagnetic phase, are hardly affected by the small amount of nonmagnetic substitution. We have also performed Monte Carlo simulations for the isosceles triangular lattice Ising model to understand the extremely high sensitivity to the nonmagnetic substitution. Consequently, we have revealed that the disappearance of the AF phase is not because the small amount of nonmagnetic impurities destabilize the AF phase, but because the phase transition from the IC phase to the AF phase is strongly suppressed by a pinning effect due to the impurities.

  3. Frustrated magnetism in doped quasi-triangular lattice materials, Cu2(1-x)Zn2x(OH)3NO3/(C7H15COO)

    NASA Astrophysics Data System (ADS)

    Wu, Jian; Werner, Fletcher; Gangopadhyay, Anup K.; Solin, S. A.

    2010-03-01

    We have performed DC and AC magnetic susceptibility measurements on the spin S=1/2 quasi-triangular lattice materials Cu2(1-x)Zn2x(OH)3NO3/(C7H15COO). The X-ray diffraction experiments reveal that this class of materials has a crystal structure in P21/m space group, in which Cu^2+ and Zn^2+ ions are arranged on a slightly distorted triangular lattice [1]. Cu2(1-)Zn2x(OH)3NO3 with a short inorganic intercalation NO3 group, have a long-range antiferromagnetic order at low temperature. The Neel temperature TN decreases from 11K to 5.6K while the Curie-Weiss temperature increases from -5.1K to +2.8K as the Zn concentration increases from 0 to 65%. After a longer alkanecarboxylate C7H15COO group was introduced into the interlayer space, a spin-glass like behavior in magnetic properties was observed [2]. The value |θcw /TN| is approximately 20, indicating the materials are in a medium level frustrated state. The onset of a ferromagnetic correlation was found in both DC and AC susceptibility data. The interplay of geometrical frustration and the coexistence of ferromagnetic and antiferromagnetic couplings has driven the materials into a glassy ground state. [1] G. Linder, et al., Journal of Solid State Chemistry (1995) [2] M. A. Girtu et al, Phys Rev B 61,4117(2000).

  4. Magnetic phase diagram of the S =1/2 triangular-lattice antiferromagnet Ba3CoSb2O9

    NASA Astrophysics Data System (ADS)

    Kamiya, Yoshitomo; Batista, Cristian

    2015-03-01

    To explain the recently reported magnetic phase diagram of the spin-1/2 triangular-lattice compound Ba3CoSb2O9, we present a semiclassical mean-field theory for the easy-plane XXZ model on the stacked triangular-lattice with a small inter-layer coupling. Quantum effects are incorporated by deriving effective interactions from the linear spin-wave analysis of the two-dimensional model. This analysis reproduces the main experimental observations, such as the 1/3-magnetization plateau (B || a) , a cusp near 1/3 of the saturated moment (B || c) , and a small step anomaly in the high field regime. The predicted spin configurations are compared against the NMR measurements on this compound. This work was done in collaboration with G. Koutroulakis (Los Alamos), T. Zhou (UCLA), J. D. Thompson (Los Alamos), H. D. Zhou (Univ. of Tennessee), and S. E. Brown (UCLA). Y.K. acknowledges financial support from the RIKEN iTHES Project.

  5. Two 3D network complexes of Y(III) and Ce(III) with 2-fold interpenetration and reversible desorption-adsorption behavior of lattice water

    SciTech Connect

    Chu Wenjuan; He Yong; Zhao Qinghuan; Fan Yaoting; Hou Hongwei

    2010-10-15

    Two novel inorganic-organic 3D network, namely{l_brace}[Ln(L){sub 1.5}(H{sub 2}O){sub 2}].5H{sub 2}O{r_brace}n [Ln=Y (1), Ce (2); Ln(L){sub 1.5}(H{sub 2}O){sub 2}].5H{sub 2}O [Ln=Y (1), Ce (2)], have been prepared through the assembly of the ligand 1,2-bis[3-(1,2,4-triazolyl)-4-amino-5-carboxylmethylthio]ethane (H{sub 2}L) and lanthanide (III) salts under hydrothermal condition and structurally characterized by single-crystal X-ray diffractions. In complexes 1 and 2, the L{sup 2-} anions adopt three different coordination fashions (bidentate chelate, bidentate bridging and bidentate chelate bridging) connecting Ln(III) ions via the oxygen atoms from carboxylate moieties. Both 1 and 2 exhibit 3D network structures with 2-fold interpenetration. Interestingly, the reversible desorption-adsorption behavior of lattice water is significantly observed in the two compounds. The result shows their potential application as late-model water absorbent in the field of adsorption material. - Graphical abstract: Two inorganic-organic 3D network, namely {l_brace}[Ln(L){sub 1.5}(H{sub 2}O){sub 2}].5H{sub 2}O{r_brace}n [Ln=Y (1), Ce (2)], have been prepared under hydrothermal condition and structurally characterized by single-crystal X-ray diffractions. Both 1 and 2 exhibit 3D network structures with 2-fold interpenetration. Interestingly, the reversible desorption-adsorption behavior of lattice water is significantly observed in the two compounds. The result shows their potential application as late-model water absorbent in the field of adsorption material.

  6. Effect of super-exchange interaction on ground state magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    SciTech Connect

    Kumar, Sant Maitra, Tulika; Singh, Ishwar; Yadav, Umesh K.

    2015-06-24

    Ground state magnetic properties are studied by incorporating the super-exchange interaction (J{sub se}) in the spin-dependent Falicov-Kimball model (FKM) between localized (f-) electrons on a triangular lattice for half filled case. Numerical diagonalization and Monte-Carlo simulation are used to study the ground state magnetic properties. We have found that the magnetic moment of (d-) and (f-) electrons strongly depend on the value of Hund’s exchange (J), super-exchange interaction (J{sub se}) and also depends on the number of (d-) electrons (N{sub d}). The ground state changes from antiferromagnetic (AFM) to ferromagnetic (FM) state as we decrease (N{sub d}). Also the density of d electrons at each site depends on the value of J and J{sub se}.

  7. Secondary Coincidence Site Lattice Model for Truncated Triangular β-Mg2Sn Precipitates in a Mg-Sn-Based Alloy

    NASA Astrophysics Data System (ADS)

    Shi, Z.-Z.; Dai, F.-Z.; Zhang, M.; Gu, X.-F.; Zhang, W.-Z.

    2013-06-01

    This article presents a model of a secondary coincidence site lattice (CSLΙΙ). It is applied to interpret a truncated triangular morphology of β-Mg2Sn precipitates in an Mg-Sn-based alloy. With a slight long-range strain being accommodated elastically, the distribution of good matching sites (GMS) on interfaces between the β-Mg2Sn precipitates and α-Mg matrix exhibits double periodicity. One is within GMS clusters, and the other is carried by the constrained-CSLΙΙ (CCSLΙΙ) points at the centers of the GMS clusters. The calculated results fully agree with the experimental results, including the irrational orientation relationship, the habit plane, and the irrational side facets. The preferred state of the interfaces, the preferred ledge height, and the preferred Burgers vectors of secondary dislocations have been discussed.

  8. Static and Dynamical Properties of the Spin-1/2 Equilateral Triangular-Lattice Antiferromagnet Ba_{3}CoSb_{2}O_{9}.

    PubMed

    Ma, J; Kamiya, Y; Hong, Tao; Cao, H B; Ehlers, G; Tian, W; Batista, C D; Dun, Z L; Zhou, H D; Matsuda, M

    2016-02-26

    We present single-crystal neutron scattering measurements of the spin-1/2 equilateral triangular-lattice antiferromagnet Ba_{3}CoSb_{2}O_{9}. Besides confirming that the Co^{2+} magnetic moments lie in the ab plane for zero magnetic field and then determining all the exchange parameters of the minimal quasi-2D spin Hamiltonian, we provide conclusive experimental evidence of magnon decay through observation of intrinsic line broadening. Through detailed comparisons with the linear and nonlinear spin-wave theories, we also point out that the large-S approximation, which is conventionally employed to predict magnon decay in noncollinear magnets, is inadequate to explain our experimental observation. Thus, our results call for a new theoretical framework for describing excitation spectra in low-dimensional frustrated magnets under strong quantum effects. PMID:26967439

  9. Pressure-induced superconductivity in the antiferromagnet κ - (ET) 2C F3S O3 with quasi-one-dimensional triangular spin lattice

    NASA Astrophysics Data System (ADS)

    Ito, Hiroshi; Asai, Takayuki; Shimizu, Yasuhiro; Hayama, Hiromi; Yoshida, Yukihiro; Saito, Gunzi

    2016-07-01

    We report an antiferromagnetic (AF) ordering at ambient pressure and a superconducting transition under pressure for κ - (ET) 2C F3S O3 [ ET =bis (ethylenedithio)tetrathiafulvalene], which has a two-dimensional electronic system with quasi-one-dimensional triangular spin lattice. At ambient pressure, AF ordering was detected at TN=2.5 K by 1H NMR, subsequent to two structural phase transitions at 230 and 190 K. Under hydrostatic pressures, metallic behavior appeared above ˜1.1 GPa, and a superconducting transition (maximum onset Tc=4.8 K at ˜1.3 GPa) was observed up to 2.2 GPa. Superconductivity was also found under c -axis strain, which reduced t'/t , but was absent under b -axis strain which increased t'/t .

  10. Static and dynamical properties of the spin-1/2 equilateral triangular-lattice antiferromagnet Ba3CoSb2O9

    DOE PAGESBeta

    Ma, Jie; Kamiya, Yoshitomo; Hong, Tao; Cao, H. B.; Ehlers, Georg; Tian, Wei; Batista, C. D.; Dun, Z. L.; Zhou, H. D.; Matsuda, Masaaki

    2016-02-24

    We present single-crystal neutron scattering measurements of the spin-1/2 equilateral triangular-lattice antiferromagnet Ba3CoSb2O9. Besides confirming that the Co2+ magnetic moments lie in the ab plane for zero magnetic field and then determining all the exchange parameters of the minimal quasi-2D spin Hamiltonian, we provide conclusive experimental evidence of magnon decay through observation of intrinsic line broadening. Through detailed comparisons with the linear and nonlinear spin-wave theories, we also point out that the large-S approximation, which is conventionally employed to predict magnon decay in noncollinear magnets, is inadequate to explain our experimental observation. Hence, our results call for a new theoreticalmore » framework for describing excitation spectra in low-dimensional frustrated magnets under strong quantum effects.« less

  11. Effect of super-exchange interaction on ground state magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Kumar, Sant; Yadav, Umesh K.; Maitra, Tulika; Singh, Ishwar

    2015-06-01

    Ground state magnetic properties are studied by incorporating the super-exchange interaction (Jse) in the spin-dependent Falicov-Kimball model (FKM) between localized (f-) electrons on a triangular lattice for half filled case. Numerical diagonalization and Monte-Carlo simulation are used to study the ground state magnetic properties. We have found that the magnetic moment of (d-) and (f-) electrons strongly depend on the value of Hund's exchange (J), super-exchange interaction (Jse) and also depends on the number of (d-) electrons (Nd). The ground state changes from antiferromagnetic (AFM) to ferromagnetic (FM) state as we decrease (Nd). Also the density of d electrons at each site depends on the value of J and Jse.

  12. Magnetic and electrode properties, structure and phase relations of the layered triangular-lattice tellurate Li{sub 4}NiTeO{sub 6}

    SciTech Connect

    Zvereva, Elena A.; Nalbandyan, Vladimir B.; Evstigneeva, Maria A.; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Ushakov, Arseni V.; Medvedev, Boris S.; Medvedeva, Larisa I.; Gridina, Nelly A.; Yalovega, Galina E.; Churikov, Alexei V.; Vasiliev, Alexander N.; Büchner, Bernd

    2015-05-15

    We examined the magnetic properties of layered oxide Li{sub 4}NiTeO{sub 6} by magnetic susceptibility, magnetization and ESR measurements and density functional calculations, and characterized phase relations, crystal structure and electrochemical properties of Li{sub 4}NiTeO{sub 6}. The magnetization and ESR data indicate the absence of a long-range magnetic order down to 1.8 K, and the magnetic susceptibility data the presence of dominant antiferromagnetic interactions. These observations are well accounted for by density functional calculations, which show that the spin exchanges of the LiNiTeO{sub 6} layers in Li{sub 4}NiTeO{sub 6} are strongly spin frustrated. The electrochemical charging of Li{sub 4}NiTeO{sub 6} takes place at constant potential of ca. 4.2 V vs. Li/Li{sup +} indicating two-phase process as confirmed by X-rays. The starting phase is only partially recovered on discharge due to side reactions. - Graphical abstract: No long-range magnetic order due to frustration in 2D triangular lattice antiferromagnet Li{sub 4}NiTeO{sub 6}. - Highlights: • Li{sub 4}NiTeO{sub 6} is 2D triangular lattice magnet with no long-range order down to 1.8 K. • Intralayer exchange interactions are antiferromagnetic and strongly spin frustrated. • The electrochemical Li extraction proceeds in a two-phase mode at 4.2 V vs. Li/Li{sup +}. • The electrochemical charge–discharge is only partially reversible. • Li{sub 2}O–NiO{sub y}–TeO{sub x} phase relations are reported; Li{sub 4}NiTeO{sub 6} is essentially stoichiometric.

  13. Competing anisotropies on 3d sub-lattice of YNi{sub 4–x}Co{sub x}B compounds

    SciTech Connect

    Caraballo Vivas, R. J.; Rocco, D. L.; Reis, M. S.; Caldeira, L.; Coelho, A. A.

    2014-08-14

    The magnetic anisotropy of 3d sub-lattices has an important rule on the overall magnetic properties of hard magnets. Intermetallics alloys with boron (R-Co/Ni-B, for instance) belong to those hard magnets family and are useful objects to help to understand the magnetic behavior of 3d sub-lattice, specially when the rare earth ions R do not have magnetic nature, like YCo{sub 4}B ferromagnetic material. Interestingly, YNi{sub 4}B is a paramagnetic material and Ni ions do not contribute to the magnetic anisotropy. We focused therefore our attention to YNi{sub 4–x}Co{sub x}B series, with x = 0, 1, 2, 3, and 4. The magnetic anisotropy of these compounds is deeper described using statistical and preferential models of Co occupation among the possible Wyckoff positions into the CeCo{sub 4}B type hexagonal structure. We found that the preferential model is the most suitable to explain the magnetization experimental data.

  14. Static magnetic order on the metallic triangular lattice in CrSe2 detected by μ <>SR

    NASA Astrophysics Data System (ADS)

    Sugiyama, Jun; Nozaki, Hiroshi; Umegaki, Izumi; Uyama, Takeshi; Miwa, Kazutoshi; Brewer, Jess H.; Kobayashi, Shintaro; Michioka, Chishiro; Ueda, Hiroaki; Yoshimura, Kazuyoshi

    2016-07-01

    The magnetic nature of a metallic two-dimensional triangular compound, CrSe2, has been investigated by muon spin rotation and relaxation (μ <>SR ) measurements using both powder and single crystal samples. It is found that CrSe2 enters into a static antiferromagnetic (AF) ordered state below 157 K (=TN ). Furthermore, the AF state is slightly changed below around 20 K (=TN 2 ). Based on the analysis of the internal magnetic fields at the muon sites predicted with DFT calculations, collinear AF and helical 120° AF are clearly eliminated for the ground state of CrSe2. The most probable one is an incommensurate spin density wave order.

  15. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    SciTech Connect

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; Zhitomirsky, M. E.

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamics in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.

  16. Large-eddy simulations of 3D Taylor-Green vortex: comparison of Smoothed Particle Hydrodynamics, Lattice Boltzmann and Finite Volume methods

    NASA Astrophysics Data System (ADS)

    Kajzer, A.; Pozorski, J.; Szewc, K.

    2014-08-01

    In the paper we present Large-eddy simulation (LES) results of 3D Taylor- Green vortex obtained by the three different computational approaches: Smoothed Particle Hydrodynamics (SPH), Lattice Boltzmann Method (LBM) and Finite Volume Method (FVM). The Smagorinsky model was chosen as a subgrid-scale closure in LES for all considered methods and a selection of spatial resolutions have been investigated. The SPH and LBM computations have been carried out with the use of the in-house codes executed on GPU and compared, for validation purposes, with the FVM results obtained using the open-source CFD software OpenFOAM. A comparative study in terms of one-point statistics and turbulent energy spectra shows a good agreement of LES results for all methods. An analysis of the GPU code efficiency and implementation difficulties has been made. It is shown that both SPH and LBM may offer a significant advantage over mesh-based CFD methods.

  17. Magnetic phase diagram and multiferroicity of Ba3MnNb2O9 : A spin -52 triangular lattice antiferromagnet with weak easy-axis anisotropy

    DOE PAGESBeta

    Lee, M.; Choi, E. S.; Huang, X.; Ma, J.; Dela Cruz, C. R.; Matsuda, M.; Tian, W.; Dun, Z. L.; Dong, S.; Zhou, H. D.

    2014-12-01

    Here we have performed magnetic, electric, thermal and neutron powder diffraction (NPD) experiments as well as density functional theory (DFT) calculations on Ba3MnNb2 O9. All results suggest that Ba3MnNb2 O9 is a spin-5/2 triangular lattice antiferromagnet (TLAF) with weak easy-axis anisotropy. At zero field, we observed a narrow two-step transition at TN1 = 3.4 K and TN2 = 3.0 K. The neutron diffraction measurement and the DFT calculation indicate a 120 spin structure in ab plane with out-of-plane canting at low temperatures. With increasing magnetic field, the 120 spin structure evolves into up-up-down (uud) and oblique phases showing successive magneticmore » phase transitions, which fits well to the theoretical prediction for the 2D Heisenberg TLAF with classical spins. Ultimately, multiferroicity is observed when the spins are not collinear but suppressed in the uud and oblique phases.« less

  18. Magnetic phase diagram and multiferroicity of Ba3MnNb2O9: A spin-5/2 triangular lattice antiferromagnet with weak easy-axis anisotropy

    NASA Astrophysics Data System (ADS)

    Lee, M.; Choi, E. S.; Huang, X.; Ma, J.; Dela Cruz, C. R.; Matsuda, M.; Tian, W.; Dun, Z. L.; Dong, S.; Zhou, H. D.

    2014-12-01

    We have performed magnetic, electric, thermal, and neutron powder diffraction (NPD) experiments as well as density functional theory (DFT) calculations on Ba3MnNb2O9 . All results suggest that Ba3MnNb2O9 is a spin-5/2 triangular lattice antiferromagnet (TLAF) with weak easy-axis anisotropy. At zero field, we observed a narrow two-step transition at TN 1=3.4 K and TN 2=3.0 K. The neutron diffraction measurement and the DFT calculation indicate a 120∘ spin structure in the a b plane with out-of-plane canting at low temperatures. With increasing magnetic field, the 120∘ spin structure evolves into up-up-down (u u d ) and oblique phases showing successive magnetic phase transitions, which fits well to the theoretical prediction for the 2D Heisenberg TLAF with classical spins. Multiferroicity is observed when the spins are not collinear but suppressed in the u u d and oblique phases.

  19. Magnetic phase diagram and multiferroicity of Ba3MnNb2O9: A spin-5/2 triangular lattice antiferromagnet with weak easy-axis anisotropy

    NASA Astrophysics Data System (ADS)

    Lee, M.; Choi, E. S.; Huang, X.; Ma, J.; Dela Cruz, C. R.; Matsuda, M.; Tian, W.; Dun, Z. L.; Dong, S.; Zhou, H. D.

    2015-03-01

    We have performed magnetic, electric, thermal, and neutron powder diffraction (NPD) experiments as well as density functional theory (DFT) calculations on Ba3MnNb2O9. All results suggest that Ba3MnNb2O9 is a spin-5/2 triangular lattice antiferromagnet (TLAF) with weak easy-axis anisotropy. At zero field, we observed a narrow two-step transition at TN 1 = 3.4 K and TN 2 = 3.0 K. The neutron diffraction measurement and the DFT calculation indicate a 120° spin structure in the ab plane with out-of-plane canting at low temperatures. With increasing magnetic field, the 120° spin structure evolves into up-up-down (uud) and oblique phase showing successive magnetic phase transitions, which fits well to the theoretical prediction for the 2D Heisenberg TLAF with classical spins. Multiferroicity is observed when the spins are not collinear but suppressed in the uud and the oblique phase. We discuss the results in comparison with our previous works on its sister compounds with small spins, Ba3NiNb2O9 (S = 1) (J. Hwang et al ., Phys. Rev. Lett. 109, 257205 (2012) and Ba3CoNb2O9 (S = 1/2) (M. Lee et al ., Phys. Rev. B 89, 104420 (2014)). NHMFL is supported by NSF, the state of Florida and US DOE. ORNL HFIR was sponsored by U.S. DOE.

  20. Series of phase transitions and multiferroicity in the quasi-two-dimensional spin-1/2 triangular-lattice antiferromagnet Ba3CoNb2O9

    NASA Astrophysics Data System (ADS)

    Lee, M.; Hwang, J.; Choi, E. S.; Ma, J.; Dela Cruz, C. R.; Zhu, M.; Ke, X.; Dun, Z. L.; Zhou, H. D.

    2014-03-01

    We have investigated the magnetic and electric ground states of a quasi-two-dimensional triangular lattice antiferromagnet (TLAF), Ba3CoNb2O9, in which the effective spin of Co2+ is 1/2. At zero field, the system undergoes a two-step transition upon cooling at TN2=1.36 K and TN1=1.10 K and enters a 120∘ ordered state. By applying magnetic fields, a series of spin states with fractions of the saturation magnetization Ms are observed. They are spin states with 1/3, 1/2, 2/3 (or √3 /3) Ms. The ferroelectricity emerges in all spin states, either with collinear or noncollinear spin structure, which makes Ba3CoNb2O9 another unique TLAF exhibiting both a series of magnetic phase transitions and multiferroicity. We discuss the role of quantum fluctuations and magnetic anisotropy in contributing more complex phase diagram compared to its sister multiferroic TLAF compound Ba3NiNb2O9 [J. Hwang et al., Phys. Rev. Lett. 109, 257205 (2012), 10.1103/PhysRevLett.109.257205].

  1. Dirac cones in artificial structures of 3d transitional-metals doped Mg-Al spinels

    NASA Astrophysics Data System (ADS)

    Lu, Yuan; Feng, Min; Shao, Bin; Zuo, Xu

    2014-05-01

    Motivated by recent theoretical predications for Dirac cone in two-dimensional (2D) triangular lattice [H. Ishizuka, Phys. Rev. Lett. 109, 237207 (2012)], first-principles studies are performed to predict Dirac cones in artificial structures of 3d transitional-metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) doped Mg-Al spinels. In investigated artificial structures, TM dopants substitute specific positions of the B sub-lattice in Mg-Al spinel, and form a quasi-2D triangular lattice in the a-b plane. Calculated results illustrate the existence of the spin-polarized Dirac cones formed in d-wave bands at (around) the K-point in the momentum space. The study provides a promising route for engineering Dirac physics in condensed matters.

  2. Dirac cones in artificial structures of 3d transitional-metals doped Mg-Al spinels

    SciTech Connect

    Lu, Yuan; Zuo, Xu; Feng, Min; Shao, Bin

    2014-05-07

    Motivated by recent theoretical predications for Dirac cone in two-dimensional (2D) triangular lattice [H. Ishizuka, Phys. Rev. Lett. 109, 237207 (2012)], first-principles studies are performed to predict Dirac cones in artificial structures of 3d transitional-metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) doped Mg-Al spinels. In investigated artificial structures, TM dopants substitute specific positions of the B sub-lattice in Mg-Al spinel, and form a quasi-2D triangular lattice in the a-b plane. Calculated results illustrate the existence of the spin-polarized Dirac cones formed in d-wave bands at (around) the K-point in the momentum space. The study provides a promising route for engineering Dirac physics in condensed matters.

  3. Modeling of mass and charge transport in a solid oxide fuel cell anode structure by a 3D lattice Boltzmann approach

    NASA Astrophysics Data System (ADS)

    Paradis, Hedvig; Andersson, Martin; Sundén, Bengt

    2015-09-01

    A 3D model at microscale by the lattice Boltzmann method (LBM) is proposed for part of an anode of a solid oxide fuel cell (SOFC) to analyze the interaction between the transport and reaction processes and structural parameters. The equations of charge, momentum, heat and mass transport are simulated in the model. The modeling geometry is created with randomly placed spheres to resemble the part of the anode structure close to the electrolyte. The electrochemical reaction processes are captured at specific sites where spheres representing Ni and YSZ materials are present with void space. This work focuses on analyzing the effect of structural parameters such as porosity, and percentage of active reaction sites on the ionic current density and concentration of H2 using LBM. It is shown that LBM can be used to simulate an SOFC anode at microscale and evaluate the effect of structural parameters on the transport processes to improve the performance of the SOFC anode. It was found that increasing the porosity from 30 to 50 % decreased the ionic current density due to a reduction in the number of reaction sites. Also the consumption of H2 decreased with increasing porosity. When the percentage of active reaction sites was increased while the porosity was kept constant, the ionic current density increased. However, the H2 concentration was slightly reduced when the percentage of active reaction sites was increased. The gas flow tortuosity decreased with increasing porosity.

  4. Modeling of mass and charge transport in a solid oxide fuel cell anode structure by a 3D lattice Boltzmann approach

    NASA Astrophysics Data System (ADS)

    Paradis, Hedvig; Andersson, Martin; Sundén, Bengt

    2016-08-01

    A 3D model at microscale by the lattice Boltzmann method (LBM) is proposed for part of an anode of a solid oxide fuel cell (SOFC) to analyze the interaction between the transport and reaction processes and structural parameters. The equations of charge, momentum, heat and mass transport are simulated in the model. The modeling geometry is created with randomly placed spheres to resemble the part of the anode structure close to the electrolyte. The electrochemical reaction processes are captured at specific sites where spheres representing Ni and YSZ materials are present with void space. This work focuses on analyzing the effect of structural parameters such as porosity, and percentage of active reaction sites on the ionic current density and concentration of H2 using LBM. It is shown that LBM can be used to simulate an SOFC anode at microscale and evaluate the effect of structural parameters on the transport processes to improve the performance of the SOFC anode. It was found that increasing the porosity from 30 to 50 % decreased the ionic current density due to a reduction in the number of reaction sites. Also the consumption of H2 decreased with increasing porosity. When the percentage of active reaction sites was increased while the porosity was kept constant, the ionic current density increased. However, the H2 concentration was slightly reduced when the percentage of active reaction sites was increased. The gas flow tortuosity decreased with increasing porosity.

  5. Novel S = 3/2 Triangular Antiferromagnet Ag2CrO2 with Metallic Conductivity

    NASA Astrophysics Data System (ADS)

    Yoshida, Hiroyuki; Takayama-Muromachi, Eiji; Isobe, Masaaki

    2011-12-01

    A novel metallic silver chromate, Ag2CrO2, was synthesized using a high-pressure technique. Ag2CrO2 crystallizes in trigonal symmetry with lattice parameters of a = 2.9271(1) Å and c = 8.6721(4) Å. The structure consists of CrO2 and double Ag layers stacked alternately along the c-axis. The former realizes an S = 3/2 triangular-lattice Heisenberg system, while the latter provides itinerant electrons. Ag2CrO2 exhibits an antiferromagnetic long-range order at TN = 24 K with the weak ferromagnetic moment. The resistivity shows a sudden drop at TN, suggesting a large s--d interaction (RKKY interaction) between the Cr 3d localized spins on the triangular lattice and the Ag 5s itinerant electrons. The RKKY interaction is responsible for releasing the magnetic frustration and the three-dimensional long-range ordering at TN.

  6. Nano-spatial parameters from 3D to 2D lattice dimensionality by organic variant in [ZnCl4]- [R]+ hybrid materials: Structure, architecture-lattice dimensionality, microscopy, optical Eg and PL correlations

    NASA Astrophysics Data System (ADS)

    Kumar, Ajit; Verma, Sanjay K.; Alvi, P. A.; Jasrotia, Dinesh

    2016-04-01

    The nanospatial morphological features of [ZnCl]- [C5H4NCH3]+ hybrid derivative depicts 28 nm granular size and 3D spreader shape packing pattern as analyzed by FESEM and single crystal XRD structural studies. The organic moiety connect the inorganic components through N-H+…Cl- hydrogen bond to form a hybrid composite, the replacement of organic derivatives from 2-methylpyridine to 2-Amino-5-choloropyridine results the increase in granular size from 28nm to 60nm and unit cell packing pattern from 3D-2D lattice dimensionality along ac plane. The change in optical energy direct band gap value from 3.01eV for [ZnCl]- [C5H4NCH3]+ (HM1) to 3.42eV for [ZnCl]- [C5H5ClN2]+ (HM2) indicates the role of organic moiety in optical properties of hybrid materials. The photoluminescence emission spectra is observed in the wavelength range of 370 to 600 nm with maximum peak intensity of 9.66a.u. at 438 nm for (HM1) and 370 to 600 nm with max peak intensity of 9.91 a.u. at 442 nm for (HM2), indicating that the emission spectra lies in visible range. PL excitation spectra depicts the maximum excitation intensity [9.8] at 245.5 nm for (HM1) and its value of 9.9 a.u. at 294 nm, specify the excitation spectra lies in UV range. Photoluminescence excitation spectra is observed in the wavelength range of 280 to 350 nm with maximum peak intensity of 9.4 a.u. at 285.5 nm and 9.9 a.u. at 294 and 297 nm, indicating excitation in the UV spectrum. Single crystal growth process and detailed physiochemical characterization such as XRD, FESEM image analysis photoluminescence property reveals the structure stability with non-covalent interactions, lattice dimensionality (3D-2D) correlations interweaving into the design of inorganic-organic hybrid materials.

  7. Quasiclassical magnetic order and its loss in a spin-1/2 Heisenberg antiferromagnet on a triangular lattice with competing bonds

    NASA Astrophysics Data System (ADS)

    Li, P. H. Y.; Bishop, R. F.; Campbell, C. E.

    2015-01-01

    We use the coupled cluster method (CCM) to study the zero-temperature ground-state (GS) properties of a spin-1/2 J1-J2 Heisenberg antiferromagnet on a triangular lattice with competing nearest-neighbor and next-nearest-neighbor exchange couplings J1>0 and J2≡κ J1>0 , respectively, in the window 0 ≤κ <1 . The classical version of the model has a single GS phase transition at κcl=1/8 in this window from a phase with 3-sublattice antiferromagnetic (AFM) 120∘ Néel order for κ <κcl to an infinitely degenerate family of 4-sublattice AFM Néel phases for κ >κcl . This classical accidental degeneracy is lifted by quantum fluctuations, which favor a 2-sublattice AFM striped phase. For the quantum model we work directly in the thermodynamic limit of an infinite number of spins, with no consequent need for any finite-size scaling analysis of our results. We perform high-order CCM calculations within a well-controlled hierarchy of approximations, which we show how to extrapolate to the exact limit. In this way we find results for the case κ =0 of the spin-1/2 model for the GS energy per spin, E /N =-0.5521 (2 ) J1 , and the GS magnetic order parameter, M =0.198 (5 ) (in units where the classical value is Mcl=1/2), which are among the best available. For the spin-1/2 J1-J2 model we find that the classical transition at κ =κcl is split into two quantum phase transitions at κ1c=0.060 (10 ) and κ2c=0.165 (5 ) . The two quasiclassical AFM states (viz., the 120∘ Néel state and the striped state) are found to be the stable GS phases in the regime κ <κ1c and κ >κ2c , respectively, while in the intermediate regimes κ1c<κ <κ2c the stable GS phase has no evident long-range magnetic order.

  8. Competition between the Direct Exchange Interaction and Superexchange Interaction in Layered Compounds LiCrSe2, LiCrTe2, and NaCrTe2 with a Triangular Lattice.

    PubMed

    Kobayashi, Shintaro; Ueda, Hiroaki; Michioka, Chishiro; Yoshimura, Kazuyoshi

    2016-08-01

    Physical properties of new S = 3/2 triangular-lattice compounds LiCrSe2, LiCrTe2, and NaCrTe2 have been investigated by X-ray diffraction and magnetic measurements. These compounds crystallize in the ordered NiAs-type structure, where alkali metal ions and Cr atoms stack alternately. Despite their isomorphic structures, magnetic properties of these three compounds are different; NaCrTe2 has an A-type spin structure with ferromagnetic layers, LiCrTe2 is likely to exhibit a helical spin structure, and LiCrSe2 shows a first-order-like phase transition from the paramagnetic trigonal phase to the antiferromagnetic monoclinic phase. In these compounds and the other chromium chalcogenides with a triangular lattice, we found a general relationship between the Curie-Weiss temperature and magnetic structures. This relation indicates that the competition between the antiferromagnetic direct d-d exchange interaction and the ferromagnetic superexchange interaction plays an important role in determining the ground state of chromium chalcogenides. PMID:27400024

  9. Hierarchically triangular prism structured Co3O4: Self-supported fabrication and photocatalytic property

    EPA Science Inventory

    The formation of ammonium cobalt (II) phosphate was utilized to synthesize unprecedented 3D structures of Co3O4, triangular prisms and trunk-like structures, via a self-supported and organics-free method. The length of a triangular side of the prepared 3D triangular prisms is ~1...

  10. Combinatorial 3D Mechanical Metamaterials

    NASA Astrophysics Data System (ADS)

    Coulais, Corentin; Teomy, Eial; de Reus, Koen; Shokef, Yair; van Hecke, Martin

    2015-03-01

    We present a class of elastic structures which exhibit 3D-folding motion. Our structures consist of cubic lattices of anisotropic unit cells that can be tiled in a complex combinatorial fashion. We design and 3d-print this complex ordered mechanism, in which we combine elastic hinges and defects to tailor the mechanics of the material. Finally, we use this large design space to encode smart functionalities such as surface patterning and multistability.

  11. Ryukyu Subduction Zone: 3D Geodynamic Simulations of the Effects of Slab Shape and Depth on Lattice-Preferred Orientation (LPO) and Seismic Anisotropy

    NASA Astrophysics Data System (ADS)

    Tarlow, S.; Tan, E.; Billen, M. I.

    2015-12-01

    At the Ryukyu subduction zone, seismic anisotropy observations suggest that there may be strong trench-parallel flow within the mantle wedge driven by complex 3D slab geometry. However, previous simulations have either failed to account for 3D flow or used the infinite strain axis (ISA) approximation for LPO, which is known to be inaccurate in complex flow fields. Additionally, both the slab depth and shape of the Ryukyu slab are contentious. Development of strong trench-parallel flow requires low viscosity to decouple the mantle wedge from entrainment by the sinking slab. Therefore, understanding the relationship between seismic anisotropy and the accompanying flow field will better constrain the material and dynamic properties of the mantle near subduction zones. In this study, we integrate a kinematic model for calculation of LPO (D-Rex) into a buoyancy-driven, instantaneous 3D flow simulation (ASPECT), using composite non-Newtonian rheology to investigate the dependence of LPO on slab geometry and depth at the Ryukyu Trench. To incorporate the 3D flow effects, the trench and slab extends from the southern tip of Japan to the western edge of Taiwan and the model region is approximately 1/4 of a spherical shell extending from the surface to the core-mantle boundary. In the southern-most region we vary the slab depth and shape to test for the effects of the uncertainties in the observations. We also investigate the effect of adding locally hydrated regions above the slab that affect both the mantle rheology and development of LPO through the consequent changes in mantle flow and dominate (weakest) slip system. We characterize how changes in the simulation conditions affect the LPO within the mantle wedge, subducting slab and sub-slab mantle and relate these to surface observations of seismic anisotropy.

  12. Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.

    PubMed

    Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin

    2016-07-28

    In this work, a rare 2D → 3D single-crystal-to-single-crystal transformation (SCSC) is observed in metal-organic coordination complexes, which is triggered by thermal treatment. The 2D two-fold interpenetrating square lattice layer [Cd(IBA)2]n (1) is irreversibly converted into a 3D four-fold interpenetrating diamond framework {[Cd(IBA)2(H2O)]·2.5H2O}n (2) (HIBA = 4-(1H-imidazol-1-yl)benzoic acid). Consideration is given to these two complexes with different interpenetrating structures and dimensionality, and their influence on photovoltaic properties are studied. Encouraged by the UV-visible absorption and HOMO-LUMO energy states matched for sensitizing TiO2, the two complexes are employed in combination with N719 in dye-sensitized solar cells (DSSCs) to compensate absorption in the ultraviolet and blue-violet region, offset competitive visible light absorption of I3(-) and reducing charge the recombination of injected electrons. After co-sensitization with 1 and 2, the device co-sensitized by 1/N719 and 2/N719 to yield overall efficiencies of 7.82% and 8.39%, which are 19.94% and 28.68% higher than that of the device sensitized only by N719 (6.52%). Consequently, high dimensional interpenetrating complexes could serve as excellent co-sensitizers and have application in DSSCs. PMID:27356177

  13. Anisotropic transport and optical spectroscopy study on antiferromagnetic triangular lattice EuCd2As2 : An interplay between magnetism and charge transport properties

    NASA Astrophysics Data System (ADS)

    Wang, H. P.; Wu, D. S.; Shi, Y. G.; Wang, N. L.

    2016-07-01

    We present anisotropic transport and optical spectroscopy studies on EuCd2As2 . The measurements reveal that EuCd2As2 is a low carrier density semimetal with moderate anisotropic resistivity ratio. The charge carriers experience very strong scattering from Eu magnetic moments, resulting in a Kondo-like increase of resistivity at low temperature. Below the antiferromagnetic transition temperature at TN=9.5 K, the resistivity drops sharply due to the reduced scattering from the ordered Eu moments. Nevertheless, the anisotropic ratio of ρc/ρa b keeps increasing, suggesting that the antiferromagnetic coupling is along the c axis. The optical spectroscopy measurement further reveals, besides an overdamped reflectance plasma edge at low energy, a strong coupling between phonon and electronic continuum. Our study suggests that EuCd2As2 is a promising candidate displaying intriguing interplay among charge, magnetism, and the underlying crystal lattice.

  14. Europeana and 3D

    NASA Astrophysics Data System (ADS)

    Pletinckx, D.

    2011-09-01

    The current 3D hype creates a lot of interest in 3D. People go to 3D movies, but are we ready to use 3D in our homes, in our offices, in our communication? Are we ready to deliver real 3D to a general public and use interactive 3D in a meaningful way to enjoy, learn, communicate? The CARARE project is realising this for the moment in the domain of monuments and archaeology, so that real 3D of archaeological sites and European monuments will be available to the general public by 2012. There are several aspects to this endeavour. First of all is the technical aspect of flawlessly delivering 3D content over all platforms and operating systems, without installing software. We have currently a working solution in PDF, but HTML5 will probably be the future. Secondly, there is still little knowledge on how to create 3D learning objects, 3D tourist information or 3D scholarly communication. We are still in a prototype phase when it comes to integrate 3D objects in physical or virtual museums. Nevertheless, Europeana has a tremendous potential as a multi-facetted virtual museum. Finally, 3D has a large potential to act as a hub of information, linking to related 2D imagery, texts, video, sound. We describe how to create such rich, explorable 3D objects that can be used intuitively by the generic Europeana user and what metadata is needed to support the semantic linking.

  15. Successive magnetic phase transitions and multiferroicity in quasi-two-dimensional triangular lattice Heisenberg antiferromagnets Ba3CoNb2O9 and Ba3MnNb2O9

    NASA Astrophysics Data System (ADS)

    Lee, M.; Hwang, J.; Choi, E. S.; Ma, J.; Dela Cruz, C. R.; Zhu, M.; Ke, X.; Dun, Z. L.; Zhou, H. D.

    2014-03-01

    We have measured magnetic, dielectric and thermodynamic properties of quasi-two-dimensional triangular lattice antiferromagnet (TLAF), Ba3CoNb2O9 (S = 1/2) and Ba3MnNb2O9 (S = 3/2). At zero magnetic field, Ba3CoNb2O9 undergoes a two-step transition at 1.36 K and 1.10 K and enters a 120 degree ordered state. By applying magnetic fields, a series of magnetic phases with fractional saturation magnetization (1/3, 1/2, 2/3 (or √{ 3}/3Ms) are observed. The collinear spin phase with 1/3 Ms becomes more robust at lower temperatures due to quantum fluctuations. For Ba3MnNb2O9, the 120 degree ordered state is stabilized below 3.10 K at zero field. Under the magnetic field, successive magnetic phase transitions are observed with fractional magnetization 1/3 and 1/2 Ms. The 1/3 Ms phase becomes more stable at higher temperatures due to thermal fluctuations. The ferroelectricity emerges in all spin states in both compounds regardless of the spin chirality. Therefore, Ba3CoNb2O9andBa3MnNb2O9 are unique TLAFs exhibiting not only a series of magnetic phase transitions but also multiferroicity. NHMFL is supported by NSF, the State of Florida and US DOE. ORNL HFIR was sponsored by U.S. DOE.

  16. Emergent Honeycomb Lattice in LiZn2Mo3O8

    NASA Astrophysics Data System (ADS)

    Flint, Rebecca; Lee, Patrick A.

    2013-11-01

    We introduce the idea of emergent lattices, where a simple lattice decouples into two weakly coupled lattices as a way to stabilize spin liquids. In LiZn2Mo3O8, the disappearance of 2/3 of the spins at low temperatures suggests that its triangular lattice decouples into an emergent honeycomb lattice weakly coupled to the remaining spins, and we suggest several ways to test this proposal. We show that these orphan spins act to stabilize the spin liquid in the J1-J2 honeycomb model and also discuss a possible 3D analogue, Ba2MoYO6 that may form a “depleted fcc lattice.”

  17. 3d-3d correspondence revisited

    NASA Astrophysics Data System (ADS)

    Chung, Hee-Joong; Dimofte, Tudor; Gukov, Sergei; Sułkowski, Piotr

    2016-04-01

    In fivebrane compactifications on 3-manifolds, we point out the importance of all flat connections in the proper definition of the effective 3d {N}=2 theory. The Lagrangians of some theories with the desired properties can be constructed with the help of homological knot invariants that categorify colored Jones polynomials. Higgsing the full 3d theories constructed this way recovers theories found previously by Dimofte-Gaiotto-Gukov. We also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.

  18. 3D and Education

    NASA Astrophysics Data System (ADS)

    Meulien Ohlmann, Odile

    2013-02-01

    Today the industry offers a chain of 3D products. Learning to "read" and to "create in 3D" becomes an issue of education of primary importance. 25 years professional experience in France, the United States and Germany, Odile Meulien set up a personal method of initiation to 3D creation that entails the spatial/temporal experience of the holographic visual. She will present some different tools and techniques used for this learning, their advantages and disadvantages, programs and issues of educational policies, constraints and expectations related to the development of new techniques for 3D imaging. Although the creation of display holograms is very much reduced compared to the creation of the 90ies, the holographic concept is spreading in all scientific, social, and artistic activities of our present time. She will also raise many questions: What means 3D? Is it communication? Is it perception? How the seeing and none seeing is interferes? What else has to be taken in consideration to communicate in 3D? How to handle the non visible relations of moving objects with subjects? Does this transform our model of exchange with others? What kind of interaction this has with our everyday life? Then come more practical questions: How to learn creating 3D visualization, to learn 3D grammar, 3D language, 3D thinking? What for? At what level? In which matter? for whom?

  19. 3D Imaging.

    ERIC Educational Resources Information Center

    Hastings, S. K.

    2002-01-01

    Discusses 3 D imaging as it relates to digital representations in virtual library collections. Highlights include X-ray computed tomography (X-ray CT); the National Science Foundation (NSF) Digital Library Initiatives; output peripherals; image retrieval systems, including metadata; and applications of 3 D imaging for libraries and museums. (LRW)

  20. A search for good lattice rules based on the reciprocal lattice generator matrix

    SciTech Connect

    Lyness, J.N.; Newman, W.

    1989-01-01

    The search for cost-effective lattice rules is a time-consuming and difficult process. After a brief overview of some of the lattice theory relevant to these rules, a new approach to this search is suggested. This approach is based on a classification of lattice rules using the upper triangular lattice form'' of the reciprocal lattice generator matrix. 18 refs., 1 tab.

  1. Shim3d Helmholtz Solution Package

    Energy Science and Technology Software Center (ESTSC)

    2009-01-29

    This suite of codes solves the Helmholtz Equation for the steady-state propagation of single-frequency electromagnetic radiation in an arbitrary 2D or 3D dielectric medium. Materials can be either transparent or absorptive (including metals) and are described entirely by their shape and complex dielectric constant. Dielectric boundaries are assumed to always fall on grid boundaries and the material within a single grid cell is considered to be uniform. Input to the problem is in the formmore » of a Dirichlet boundary condition on a single boundary, and may be either analytic (Gaussian) in shape, or a mode shape computed using a separate code (such as the included eigenmode solver vwave20), and written to a file. Solution is via the finite difference method using Jacobi iteration for 3D problems or direct matrix inversion for 2D problems. Note that 3D problems that include metals will require different iteration parameters than described in the above reference. For structures with curved boundaries not easily modeled on a rectangular grid, the auxillary codes helmholtz11(2D), helm3d (semivectoral), and helmv3d (full vectoral) are provided. For these codes the finite difference equations are specified on a topological regular triangular grid and solved using Jacobi iteration or direct matrix inversion as before. An automatic grid generator is supplied.« less

  2. TRACE 3-D documentation

    SciTech Connect

    Crandall, K.R.

    1987-08-01

    TRACE 3-D is an interactive beam-dynamics program that calculates the envelopes of a bunched beam, including linear space-charge forces, through a user-defined transport system. TRACE 3-D provides an immediate graphics display of the envelopes and the phase-space ellipses and allows nine types of beam-matching options. This report describes the beam-dynamics calculations and gives detailed instruction for using the code. Several examples are described in detail.

  3. Series of Reciprocal Triangular Numbers

    ERIC Educational Resources Information Center

    Bruckman, Paul; Dence, Joseph B.; Dence, Thomas P.; Young, Justin

    2013-01-01

    Reciprocal triangular numbers have appeared in series since the very first infinite series were summed. Here we attack a number of subseries of the reciprocal triangular numbers by methodically expressing them as integrals.

  4. 3D scene modeling from multiple range views

    NASA Astrophysics Data System (ADS)

    Sequeira, Vitor; Goncalves, Joao G. M.; Ribeiro, M. Isabel

    1995-09-01

    This paper presents a new 3D scene analysis system that automatically reconstructs the 3D geometric model of real-world scenes from multiple range images acquired by a laser range finder on board of a mobile robot. The reconstruction is achieved through an integrated procedure including range data acquisition, geometrical feature extraction, registration, and integration of multiple views. Different descriptions of the final 3D scene model are obtained: a polygonal triangular mesh, a surface description in terms of planar and biquadratics surfaces, and a 3D boundary representation. Relevant experimental results from the complete 3D scene modeling are presented. Direct applications of this technique include 3D reconstruction and/or update of architectual or industrial plans into a CAD model, design verification of buildings, navigation of autonomous robots, and input to virtual reality systems.

  5. Radiochromic 3D Detectors

    NASA Astrophysics Data System (ADS)

    Oldham, Mark

    2015-01-01

    Radiochromic materials exhibit a colour change when exposed to ionising radiation. Radiochromic film has been used for clinical dosimetry for many years and increasingly so recently, as films of higher sensitivities have become available. The two principle advantages of radiochromic dosimetry include greater tissue equivalence (radiologically) and the lack of requirement for development of the colour change. In a radiochromic material, the colour change arises direct from ionising interactions affecting dye molecules, without requiring any latent chemical, optical or thermal development, with important implications for increased accuracy and convenience. It is only relatively recently however, that 3D radiochromic dosimetry has become possible. In this article we review recent developments and the current state-of-the-art of 3D radiochromic dosimetry, and the potential for a more comprehensive solution for the verification of complex radiation therapy treatments, and 3D dose measurement in general.

  6. Bootstrapping 3D fermions

    NASA Astrophysics Data System (ADS)

    Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran

    2016-03-01

    We study the conformal bootstrap for a 4-point function of fermions < ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge C T . We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N . We also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  7. 3D Kitaev spin liquids

    NASA Astrophysics Data System (ADS)

    Hermanns, Maria

    The Kitaev honeycomb model has become one of the archetypal spin models exhibiting topological phases of matter, where the magnetic moments fractionalize into Majorana fermions interacting with a Z2 gauge field. In this talk, we discuss generalizations of this model to three-dimensional lattice structures. Our main focus is the metallic state that the emergent Majorana fermions form. In particular, we discuss the relation of the nature of this Majorana metal to the details of the underlying lattice structure. Besides (almost) conventional metals with a Majorana Fermi surface, one also finds various realizations of Dirac semi-metals, where the gapless modes form Fermi lines or even Weyl nodes. We introduce a general classification of these gapless quantum spin liquids using projective symmetry analysis. Furthermore, we briefly outline why these Majorana metals in 3D Kitaev systems provide an even richer variety of Dirac and Weyl phases than possible for electronic matter and comment on possible experimental signatures. Work done in collaboration with Kevin O'Brien and Simon Trebst.

  8. Batten augmented triangular beam

    NASA Technical Reports Server (NTRS)

    Adams, Louis R.; Hedgepeth, John M.

    1986-01-01

    The BAT (Batten-Augmented Triangular) BEAM is characterized by battens which are buckled in the deployed state, thus preloading the truss. The preload distribution is determined, and the effects of various external loading conditions are investigated. The conceptual design of a deployer is described and loads are predicted. The influence of joint imperfections on effective member stiffness is investigated. The beam is assessed structurally.

  9. Congenital Triangular Alopecia.

    PubMed

    Yin Li, Vincent Chum; Yesudian, Paul Devakar

    2015-01-01

    Congenital triangular alopecia (CTA) also known as temporal triangular alopecia is a benign noncicatricial pattern of hair loss. It typically affects the frontotemporal region and rarely involves the temporoparietal or occipital scalp. It is a nonprogressive disorder that presents as a triangular, oval or lancet-shaped patch of alopecia. CTA can manifest at birth or develop later in life. The exact etiology of this condition remains unknown. Rarely, it may be associated with other disorders such as Down's syndrome and phakomatosis pigmentovascularis. The diagnosis is based on its distinct clinical appearance. Histologically, hair follicles are miniaturized and replaced by sparse vellus hair follicles. Tricoscopy using a polarized light handheld dermatoscope can be a useful diagnostic tool. CTA is often asymptomatic and remains unchanged throughout the life. No treatment is required. Surgical intervention with follicular unit hair transplantation can provide a satisfactory cosmetic result. In this paper, we have identified 126 cases of CTA in the published literature cited on PubMed between 1905 and 2015. From the available evidence, 79% of patients with CTA presented with unilateral hair loss, 18.5% with bilateral involvement and rarely, with occipital alopecia (2.5%). There was no gender predilection. These figures are entirely consistent with previously published data. Physicians should remember to consider CTA as a potential diagnosis in any patient presenting with a nonscarring alopecia in order to avoid unnecessary investigations and treatments. PMID:26180448

  10. On the peculiar properties of triangular-chain EuCr{sub 3}(BO{sub 3}){sub 4} antiferromagnet

    SciTech Connect

    Gondek, Ł.; Szytuła, A.; Przewoźnik, J.; Żukrowski, J.; Prokhorov, A.; Chernush, L.; Zubov, E.; Dyakonov, V.; Tyvanchuk, Yu.

    2014-02-15

    In this paper we report studies on EuCr{sub 3}(BO{sub 3}){sub 4} compound, that is a member of newly discovered family of huntite-related specimens for non-linear optics. For the first time, the uncommon temperature dependence of the EuCr{sub 3}(BO{sub 3}){sub 4} lattice parameters is reported. Additionally, the magnetism of this compound is extremely interesting. Namely, a possible interplay in between potentially magnetic rare-earth ions and 3d metal stacked within quasi-1D chain that can lead to a great variety of magnetic behaviour. Indeed, in our studies we have found 3D-long range ordering with metamagnetic behaviour, while at higher temperature the magnetic chains become uncoupled. - Graphical abstract: Torsion-like vibrations are the key to understand negative thermal expansion along the a-axis. Display Omitted - Highlights: • EuCr{sub 3}(BO{sub 3}){sub 4} is a peculiar triangular-chain antiferromagnet. • Rare earth sublattice is non-magnetic with Eu{sup 3+} configuration. • Cr{sup 3+} magnetic moments show 1-D behaviour along with spin fluctuations. • Torsion vibrations of Cr triangular tubes lead to anomalous expansion of unit cell.

  11. 3D microscope

    NASA Astrophysics Data System (ADS)

    Iizuka, Keigo

    2008-02-01

    In order to circumvent the fact that only one observer can view the image from a stereoscopic microscope, an attachment was devised for displaying the 3D microscopic image on a large LCD monitor for viewing by multiple observers in real time. The principle of operation, design, fabrication, and performance are presented, along with tolerance measurements relating to the properties of the cellophane half-wave plate used in the design.

  12. Adaptive triangular mesh generation

    NASA Technical Reports Server (NTRS)

    Erlebacher, G.; Eiseman, P. R.

    1984-01-01

    A general adaptive grid algorithm is developed on triangular grids. The adaptivity is provided by a combination of node addition, dynamic node connectivity and a simple node movement strategy. While the local restructuring process and the node addition mechanism take place in the physical plane, the nodes are displaced on a monitor surface, constructed from the salient features of the physical problem. An approximation to mean curvature detects changes in the direction of the monitor surface, and provides the pulling force on the nodes. Solutions to the axisymmetric Grad-Shafranov equation demonstrate the capturing, by triangles, of the plasma-vacuum interface in a free-boundary equilibrium configuration.

  13. 3D Audio System

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Ames Research Center research into virtual reality led to the development of the Convolvotron, a high speed digital audio processing system that delivers three-dimensional sound over headphones. It consists of a two-card set designed for use with a personal computer. The Convolvotron's primary application is presentation of 3D audio signals over headphones. Four independent sound sources are filtered with large time-varying filters that compensate for motion. The perceived location of the sound remains constant. Possible applications are in air traffic control towers or airplane cockpits, hearing and perception research and virtual reality development.

  14. Multiviewer 3D monitor

    NASA Astrophysics Data System (ADS)

    Kostrzewski, Andrew A.; Aye, Tin M.; Kim, Dai Hyun; Esterkin, Vladimir; Savant, Gajendra D.

    1998-09-01

    Physical Optics Corporation has developed an advanced 3-D virtual reality system for use with simulation tools for training technical and military personnel. This system avoids such drawbacks of other virtual reality (VR) systems as eye fatigue, headaches, and alignment for each viewer, all of which are due to the need to wear special VR goggles. The new system is based on direct viewing of an interactive environment. This innovative holographic multiplexed screen technology makes it unnecessary for the viewer to wear special goggles.

  15. 3-D Mesh Generation Nonlinear Systems

    Energy Science and Technology Software Center (ESTSC)

    1994-04-07

    INGRID is a general-purpose, three-dimensional mesh generator developed for use with finite element, nonlinear, structural dynamics codes. INGRID generates the large and complex input data files for DYNA3D, NIKE3D, FACET, and TOPAZ3D. One of the greatest advantages of INGRID is that virtually any shape can be described without resorting to wedge elements, tetrahedrons, triangular elements or highly distorted quadrilateral or hexahedral elements. Other capabilities available are in the areas of geometry and graphics. Exact surfacemore » equations and surface intersections considerably improve the ability to deal with accurate models, and a hidden line graphics algorithm is included which is efficient on the most complicated meshes. The primary new capability is associated with the boundary conditions, loads, and material properties required by nonlinear mechanics programs. Commands have been designed for each case to minimize user effort. This is particularly important since special processing is almost always required for each load or boundary condition.« less

  16. Decoder for 3-D color codes

    NASA Astrophysics Data System (ADS)

    Hsu, Kung-Chuan; Brun, Todd

    Transversal circuits are important components of fault-tolerant quantum computation. Several classes of quantum error-correcting codes are known to have transversal implementations of any logical Clifford operation. However, to achieve universal quantum computation, it would be helpful to have high-performance error-correcting codes that have a transversal implementation of some logical non-Clifford operation. The 3-D color codes are a class of topological codes that permit transversal implementation of the logical π / 8 -gate. The decoding problem of a 3-D color code can be understood as a graph-matching problem on a three-dimensional lattice. Whether this class of codes will be useful in terms of performance is still an open question. We investigate the decoding problem of 3-D color codes and analyze the performance of some possible decoders.

  17. 3D Surgical Simulation

    PubMed Central

    Cevidanes, Lucia; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael

    2009-01-01

    This paper discusses the development of methods for computer-aided jaw surgery. Computer-aided jaw surgery allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery (CAS) system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3D surface models from Cone-beam CT (CBCT), dynamic cephalometry, semi-automatic mirroring, interactive cutting of bone and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intra-operative guidance. The system provides further intra-operative assistance with the help of a computer display showing jaw positions and 3D positioning guides updated in real-time during the surgical procedure. The CAS system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training and assessing the difficulties of the surgical procedures prior to the surgery. CAS has the potential to make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. Supported by NIDCR DE017727, and DE018962 PMID:20816308

  18. 'Bonneville' in 3-D!

    NASA Technical Reports Server (NTRS)

    2004-01-01

    The Mars Exploration Rover Spirit took this 3-D navigation camera mosaic of the crater called 'Bonneville' after driving approximately 13 meters (42.7 feet) to get a better vantage point. Spirit's current position is close enough to the edge to see the interior of the crater, but high enough and far enough back to get a view of all of the walls. Because scientists and rover controllers are so pleased with this location, they will stay here for at least two more martian days, or sols, to take high resolution panoramic camera images of 'Bonneville' in its entirety. Just above the far crater rim, on the left side, is the rover's heatshield, which is visible as a tiny reflective speck.

  19. 3D field harmonics

    SciTech Connect

    Caspi, S.; Helm, M.; Laslett, L.J.

    1991-03-30

    We have developed an harmonic representation for the three dimensional field components within the windings of accelerator magnets. The form by which the field is presented is suitable for interfacing with other codes that make use of the 3D field components (particle tracking and stability). The field components can be calculated with high precision and reduced cup time at any location (r,{theta},z) inside the magnet bore. The same conductor geometry which is used to simulate line currents is also used in CAD with modifications more readily available. It is our hope that the format used here for magnetic fields can be used not only as a means of delivering fields but also as a way by which beam dynamics can suggest correction to the conductor geometry. 5 refs., 70 figs.

  20. 3D polarimetric purity

    NASA Astrophysics Data System (ADS)

    Gil, José J.; San José, Ignacio

    2010-11-01

    From our previous definition of the indices of polarimetric purity for 3D light beams [J.J. Gil, J.M. Correas, P.A. Melero and C. Ferreira, Monogr. Semin. Mat. G. de Galdeano 31, 161 (2004)], an analysis of their geometric and physical interpretation is presented. It is found that, in agreement with previous results, the first parameter is a measure of the degree of polarization, whereas the second parameter (called the degree of directionality) is a measure of the mean angular aperture of the direction of propagation of the corresponding light beam. This pair of invariant, non-dimensional, indices of polarimetric purity contains complete information about the polarimetric purity of a light beam. The overall degree of polarimetric purity is obtained as a weighted quadratic average of the degree of polarization and the degree of directionality.

  1. Prominent rocks - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Many prominent rocks near the Sagan Memorial Station are featured in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. Wedge is at lower left; Shark, Half-Dome, and Pumpkin are at center. Flat Top, about four inches high, is at lower right. The horizon in the distance is one to two kilometers away.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  2. 'Diamond' in 3-D

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

    Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

    On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

    The image mosaic is about 6 centimeters (2.4 inches) across.

  3. DSI3D-RCS: Theory manual

    SciTech Connect

    Madsen, N.; Steich, D.; Cook, G.; Eme, B.

    1995-03-16

    The DSI3D-RCS code is designed to numerically evaluate radar cross sections on complex objects by solving Maxwell`s curl equations in the time-domain and in three space dimensions. The code has been designed to run on the new parallel processing computers as well as on conventional serial computers. The DSI3D-RCS code is unique for the following reasons: Allows the use of unstructured non-orthogonal grids, allows a variety of cell or element types, reduces to be the Finite Difference Time Domain (FDTD) method when orthogonal grids are used, preserves charge or divergence locally (and globally), is conditionally stable, is non-dissipative, is accurate for non-orthogonal grids. This method is derived using a Discrete Surface Integration (DSI) technique. As formulated, the DSI technique can be used with essentially arbitrary unstructured grids composed of convex polyhedral cells. This implementation of the DSI algorithm allows the use of unstructured grids that are composed of combinations of non-orthogonal hexahedrons, tetrahedrons, triangular prisms and pyramids. This algorithm reduces to the conventional FDTD method when applied on a structured orthogonal hexahedral grid.

  4. DSI3D - RCS user manual

    SciTech Connect

    Madsen, N.; Steich, D.; Cook, G.

    1995-08-23

    The DSI3D-RCS code is designed to numerically evaluate radar cross sections on complex objects by solving Maxwell`s curl equations in the time-domain and in three space dimensions. The code has been designed to run on the new parallel processing computers as well as on conventional serial computers. The DSI3D-RCS code is unique for the following reasons: Allows the use of unstructured non-orthogonal grids, allows a variety of cell or element types, reduces to be the Finite Difference Time Domain (FDTD) method when orthogonal grids are used, preserves charge or divergence locally (and globally), is conditionally stable, is selectively non-dissipative, and is accurate for non-orthogonal grids. This method is derived using a Discrete Surface Integration (DSI) technique. As formulated, the DSI technique can be used with essentially arbitrary unstructured grids composed of convex polyhedral cells. This implementation of the DSI algorithm allows the use of unstructured grids that are composed of combinations of non-orthogonal the use of unstructured grids that are composed of combinations of non-orthogonal hexahedrons, tetrahedrons, triangular prisms and pyramids. This algorithm reduces to the conventional FDTD method when applied on a structured orthogonal hexahedral grid.

  5. Dual band triangular slotted stacked microstrip antenna for wireless applications

    NASA Astrophysics Data System (ADS)

    Singh, Vinod; Ali, Zakir; Singh, Ashutosh; Ayub, Shahanaz

    2013-06-01

    In this paper stacked configuration of microstrip antenna is used to produce dual wide band which is suitable for various wireless applications. Using triangular slot and stacking of foam substrate of dielectric constant 1, two bands of bandwidth 18.70% and 12.10% is obtained. The antenna is fed by coaxial probe feeding technique. The proposed patch antenna is designed on the foam substrate and simulated on the Zeland IE3D software.

  6. Invariants of triangular Lie algebras

    NASA Astrophysics Data System (ADS)

    Boyko, Vyacheslav; Patera, Jiri; Popovych, Roman

    2007-07-01

    Triangular Lie algebras are the Lie algebras which can be faithfully represented by triangular matrices of any finite size over the real/complex number field. In the paper invariants ('generalized Casimir operators') are found for three classes of Lie algebras, namely those which are either strictly or non-strictly triangular, and for so-called special upper triangular Lie algebras. Algebraic algorithm of Boyko et al (2006 J. Phys. A: Math. Gen.39 5749 (Preprint math-ph/0602046)), developed further in Boyko et al (2007 J. Phys. A: Math. Theor.40 113 (Preprint math-ph/0606045)), is used to determine the invariants. A conjecture of Tremblay and Winternitz (2001 J. Phys. A: Math. Gen.34 9085), concerning the number of independent invariants and their form, is corroborated.

  7. Using game engine for 3D terrain visualisation of GIS data: A review

    NASA Astrophysics Data System (ADS)

    Che Mat, Ruzinoor; Shariff, Abdul Rashid Mohammed; Nasir Zulkifli, Abdul; Shafry Mohd Rahim, Mohd; Hafiz Mahayudin, Mohd

    2014-06-01

    This paper reviews on the 3D terrain visualisation of GIS data using game engines that are available in the market as well as open source. 3D terrain visualisation is a technique used to visualise terrain information from GIS data such as a digital elevation model (DEM), triangular irregular network (TIN) and contour. Much research has been conducted to transform the 2D view of map to 3D. There are several terrain visualisation softwares that are available for free, which include Cesium, Hftool and Landserf. This review paper will help interested users to better understand the current state of art in 3D terrain visualisation of GIS data using game engines.

  8. 3D Spectroscopy in Astronomy

    NASA Astrophysics Data System (ADS)

    Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

    2011-09-01

    Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

  9. 3D Elevation Program—Virtual USA in 3D

    USGS Publications Warehouse

    Lukas, Vicki; Stoker, J.M.

    2016-01-01

    The U.S. Geological Survey (USGS) 3D Elevation Program (3DEP) uses a laser system called ‘lidar’ (light detection and ranging) to create a virtual reality map of the Nation that is very accurate. 3D maps have many uses with new uses being discovered all the time.  

  10. Progress in sorting individual atoms in 3D

    NASA Astrophysics Data System (ADS)

    Wu, Tsung-Yao; Kumar, Aishwarya; Wang, Yang; Weiss, David

    2016-05-01

    An exactly unity filled optical lattice is a desirable initial state for a neutral atom quantum computer. We have previously proposed an efficient way to compact a partially filled lattice into a perfectly filled one, by combining site-resolved imaging, site-selective qubit rotations and state-selective motion steps. We have previously demonstrated site-resolved imaging and site-selective rotations in our system of cesium atoms in a 40% filled 5x5x5 3D lattice. We have now demonstrated the final element, state-selective motion steps in 3D produced by rotating the polarizations of one of the lattice beams in each pair. We will present our progress in putting all the elements together to reach perfect unity filling. Supported by NSF.

  11. Market study: 3-D eyetracker

    NASA Technical Reports Server (NTRS)

    1977-01-01

    A market study of a proposed version of a 3-D eyetracker for initial use at NASA's Ames Research Center was made. The commercialization potential of a simplified, less expensive 3-D eyetracker was ascertained. Primary focus on present and potential users of eyetrackers, as well as present and potential manufacturers has provided an effective means of analyzing the prospects for commercialization.

  12. Modular 3-D Transport model

    EPA Science Inventory

    MT3D was first developed by Chunmiao Zheng in 1990 at S.S. Papadopulos & Associates, Inc. with partial support from the U.S. Environmental Protection Agency (USEPA). Starting in 1990, MT3D was released as a pubic domain code from the USEPA. Commercial versions with enhanced capab...

  13. [3-D ultrasound in gastroenterology].

    PubMed

    Zoller, W G; Liess, H

    1994-06-01

    Three-dimensional (3D) sonography represents a development of noninvasive diagnostic imaging by real-time two-dimensional (2D) sonography. The use of transparent rotating scans, comparable to a block of glass, generates a 3D effect. The objective of the present study was to optimate 3D presentation of abdominal findings. Additional investigations were made with a new volumetric program to determine the volume of selected findings of the liver. The results were compared with the estimated volumes of 2D sonography and 2D computer tomography (CT). For the processing of 3D images, typical parameter constellations were found for the different findings, which facilitated processing of 3D images. In more than 75% of the cases examined we found an optimal 3D presentation of sonographic findings with respect to the evaluation criteria developed by us for the 3D imaging of processed data. Great differences were found for the estimated volumes of the findings of the liver concerning the three different techniques applied. 3D ultrasound represents a valuable method to judge morphological appearance in abdominal findings. The possibility of volumetric measurements enlarges its potential diagnostic significance. Further clinical investigations are necessary to find out if definite differentiation between benign and malign findings is possible. PMID:7919882

  14. 3D World Building System

    SciTech Connect

    2013-10-30

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  15. 3D World Building System

    ScienceCinema

    None

    2014-02-26

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  16. LLNL-Earth3D

    Energy Science and Technology Software Center (ESTSC)

    2013-10-01

    Earth3D is a computer code designed to allow fast calculation of seismic rays and travel times through a 3D model of the Earth. LLNL is using this for earthquake location and global tomography efforts and such codes are of great interest to the Earth Science community.

  17. Complete band gaps and deaf bands of triangular and honeycomb water-steel phononic crystals

    NASA Astrophysics Data System (ADS)

    Hsiao, Fu-Li; Khelif, Abdelkrim; Moubchir, Hanane; Choujaa, Abdelkrim; Chen, Chii-Chang; Laude, Vincent

    2007-02-01

    Phononic crystals with triangular and honeycomb lattices are investigated experimentally and theoretically. They are composed of arrays of steel cylinders immersed in water. The measured transmission spectra reveal the existence of complete band gaps but also of deaf bands. Band gaps and deaf bands are identified by comparing band structure computations, obtained by a periodic-boundary finite element method, with transmission simulations, obtained using the finite difference time domain method. The appearance of flat bands and the polarization of the associated eigenmodes is also discussed. Triangular and honeycomb phononic crystals with equal cylinder diameter and smallest spacing are compared. As previously obtained with air-solid phononic crystals, it is found that the first complete band gap opens for the honeycomb lattice but not for the triangular lattice, thanks to symmetry reduction.

  18. Euro3D Science Conference

    NASA Astrophysics Data System (ADS)

    Walsh, J. R.

    2004-02-01

    The Euro3D RTN is an EU funded Research Training Network to foster the exploitation of 3D spectroscopy in Europe. 3D spectroscopy is a general term for spectroscopy of an area of the sky and derives its name from its two spatial + one spectral dimensions. There are an increasing number of instruments which use integral field devices to achieve spectroscopy of an area of the sky, either using lens arrays, optical fibres or image slicers, to pack spectra of multiple pixels on the sky (``spaxels'') onto a 2D detector. On account of the large volume of data and the special methods required to reduce and analyse 3D data, there are only a few centres of expertise and these are mostly involved with instrument developments. There is a perceived lack of expertise in 3D spectroscopy spread though the astronomical community and its use in the armoury of the observational astronomer is viewed as being highly specialised. For precisely this reason the Euro3D RTN was proposed to train young researchers in this area and develop user tools to widen the experience with this particular type of data in Europe. The Euro3D RTN is coordinated by Martin M. Roth (Astrophysikalisches Institut Potsdam) and has been running since July 2002. The first Euro3D science conference was held in Cambridge, UK from 22 to 23 May 2003. The main emphasis of the conference was, in keeping with the RTN, to expose the work of the young post-docs who are funded by the RTN. In addition the team members from the eleven European institutes involved in Euro3D also presented instrumental and observational developments. The conference was organized by Andy Bunker and held at the Institute of Astronomy. There were over thirty participants and 26 talks covered the whole range of application of 3D techniques. The science ranged from Galactic planetary nebulae and globular clusters to kinematics of nearby galaxies out to objects at high redshift. Several talks were devoted to reporting recent observations with newly

  19. 3D printing in dentistry.

    PubMed

    Dawood, A; Marti Marti, B; Sauret-Jackson, V; Darwood, A

    2015-12-01

    3D printing has been hailed as a disruptive technology which will change manufacturing. Used in aerospace, defence, art and design, 3D printing is becoming a subject of great interest in surgery. The technology has a particular resonance with dentistry, and with advances in 3D imaging and modelling technologies such as cone beam computed tomography and intraoral scanning, and with the relatively long history of the use of CAD CAM technologies in dentistry, it will become of increasing importance. Uses of 3D printing include the production of drill guides for dental implants, the production of physical models for prosthodontics, orthodontics and surgery, the manufacture of dental, craniomaxillofacial and orthopaedic implants, and the fabrication of copings and frameworks for implant and dental restorations. This paper reviews the types of 3D printing technologies available and their various applications in dentistry and in maxillofacial surgery. PMID:26657435

  20. PLOT3D user's manual

    NASA Technical Reports Server (NTRS)

    Walatka, Pamela P.; Buning, Pieter G.; Pierce, Larry; Elson, Patricia A.

    1990-01-01

    PLOT3D is a computer graphics program designed to visualize the grids and solutions of computational fluid dynamics. Seventy-four functions are available. Versions are available for many systems. PLOT3D can handle multiple grids with a million or more grid points, and can produce varieties of model renderings, such as wireframe or flat shaded. Output from PLOT3D can be used in animation programs. The first part of this manual is a tutorial that takes the reader, keystroke by keystroke, through a PLOT3D session. The second part of the manual contains reference chapters, including the helpfile, data file formats, advice on changing PLOT3D, and sample command files.

  1. A topological framework for interactive queries on 3D models in the Web.

    PubMed

    Figueiredo, Mauro; Rodrigues, José I; Silvestre, Ivo; Veiga-Pires, Cristina

    2014-01-01

    Several technologies exist to create 3D content for the web. With X3D, WebGL, and X3DOM, it is possible to visualize and interact with 3D models in a web browser. Frequently, three-dimensional objects are stored using the X3D file format for the web. However, there is no explicit topological information, which makes it difficult to design fast algorithms for applications that require adjacency and incidence data. This paper presents a new open source toolkit TopTri (Topological model for Triangle meshes) for Web3D servers that builds the topological model for triangular meshes of manifold or nonmanifold models. Web3D client applications using this toolkit make queries to the web server to get adjacent and incidence information of vertices, edges, and faces. This paper shows the application of the topological information to get minimal local points and iso-lines in a 3D mesh in a web browser. As an application, we present also the interactive identification of stalactites in a cave chamber in a 3D web browser. Several tests show that even for large triangular meshes with millions of triangles, the adjacency and incidence information is returned in real time making the presented toolkit appropriate for interactive Web3D applications. PMID:24977236

  2. A Topological Framework for Interactive Queries on 3D Models in the Web

    PubMed Central

    Figueiredo, Mauro; Rodrigues, José I.; Silvestre, Ivo; Veiga-Pires, Cristina

    2014-01-01

    Several technologies exist to create 3D content for the web. With X3D, WebGL, and X3DOM, it is possible to visualize and interact with 3D models in a web browser. Frequently, three-dimensional objects are stored using the X3D file format for the web. However, there is no explicit topological information, which makes it difficult to design fast algorithms for applications that require adjacency and incidence data. This paper presents a new open source toolkit TopTri (Topological model for Triangle meshes) for Web3D servers that builds the topological model for triangular meshes of manifold or nonmanifold models. Web3D client applications using this toolkit make queries to the web server to get adjacent and incidence information of vertices, edges, and faces. This paper shows the application of the topological information to get minimal local points and iso-lines in a 3D mesh in a web browser. As an application, we present also the interactive identification of stalactites in a cave chamber in a 3D web browser. Several tests show that even for large triangular meshes with millions of triangles, the adjacency and incidence information is returned in real time making the presented toolkit appropriate for interactive Web3D applications. PMID:24977236

  3. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITH TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  4. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITHOUT TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  5. 3D animation of facial plastic surgery based on computer graphics

    NASA Astrophysics Data System (ADS)

    Zhang, Zonghua; Zhao, Yan

    2013-12-01

    More and more people, especial women, are getting desired to be more beautiful than ever. To some extent, it becomes true because the plastic surgery of face was capable in the early 20th and even earlier as doctors just dealing with war injures of face. However, the effect of post-operation is not always satisfying since no animation could be seen by the patients beforehand. In this paper, by combining plastic surgery of face and computer graphics, a novel method of simulated appearance of post-operation will be given to demonstrate the modified face from different viewpoints. The 3D human face data are obtained by using 3D fringe pattern imaging systems and CT imaging systems and then converted into STL (STereo Lithography) file format. STL file is made up of small 3D triangular primitives. The triangular mesh can be reconstructed by using hash function. Top triangular meshes in depth out of numbers of triangles must be picked up by ray-casting technique. Mesh deformation is based on the front triangular mesh in the process of simulation, which deforms interest area instead of control points. Experiments on face model show that the proposed 3D animation facial plastic surgery can effectively demonstrate the simulated appearance of post-operation.

  6. Facial-paralysis diagnostic system based on 3D reconstruction

    NASA Astrophysics Data System (ADS)

    Khairunnisaa, Aida; Basah, Shafriza Nisha; Yazid, Haniza; Basri, Hassrizal Hassan; Yaacob, Sazali; Chin, Lim Chee

    2015-05-01

    The diagnostic process of facial paralysis requires qualitative assessment for the classification and treatment planning. This result is inconsistent assessment that potential affect treatment planning. We developed a facial-paralysis diagnostic system based on 3D reconstruction of RGB and depth data using a standard structured-light camera - Kinect 360 - and implementation of Active Appearance Models (AAM). We also proposed a quantitative assessment for facial paralysis based on triangular model. In this paper, we report on the design and development process, including preliminary experimental results. Our preliminary experimental results demonstrate the feasibility of our quantitative assessment system to diagnose facial paralysis.

  7. Bioprinting of 3D hydrogels.

    PubMed

    Stanton, M M; Samitier, J; Sánchez, S

    2015-08-01

    Three-dimensional (3D) bioprinting has recently emerged as an extension of 3D material printing, by using biocompatible or cellular components to build structures in an additive, layer-by-layer methodology for encapsulation and culture of cells. These 3D systems allow for cell culture in a suspension for formation of highly organized tissue or controlled spatial orientation of cell environments. The in vitro 3D cellular environments simulate the complexity of an in vivo environment and natural extracellular matrices (ECM). This paper will focus on bioprinting utilizing hydrogels as 3D scaffolds. Hydrogels are advantageous for cell culture as they are highly permeable to cell culture media, nutrients, and waste products generated during metabolic cell processes. They have the ability to be fabricated in customized shapes with various material properties with dimensions at the micron scale. 3D hydrogels are a reliable method for biocompatible 3D printing and have applications in tissue engineering, drug screening, and organ on a chip models. PMID:26066320

  8. Unassisted 3D camera calibration

    NASA Astrophysics Data System (ADS)

    Atanassov, Kalin; Ramachandra, Vikas; Nash, James; Goma, Sergio R.

    2012-03-01

    With the rapid growth of 3D technology, 3D image capture has become a critical part of the 3D feature set on mobile phones. 3D image quality is affected by the scene geometry as well as on-the-device processing. An automatic 3D system usually assumes known camera poses accomplished by factory calibration using a special chart. In real life settings, pose parameters estimated by factory calibration can be negatively impacted by movements of the lens barrel due to shaking, focusing, or camera drop. If any of these factors displaces the optical axes of either or both cameras, vertical disparity might exceed the maximum tolerable margin and the 3D user may experience eye strain or headaches. To make 3D capture more practical, one needs to consider unassisted (on arbitrary scenes) calibration. In this paper, we propose an algorithm that relies on detection and matching of keypoints between left and right images. Frames containing erroneous matches, along with frames with insufficiently rich keypoint constellations, are detected and discarded. Roll, pitch yaw , and scale differences between left and right frames are then estimated. The algorithm performance is evaluated in terms of the remaining vertical disparity as compared to the maximum tolerable vertical disparity.

  9. Energy of infinite vortex lattices

    SciTech Connect

    Campbell, L.J.; Doria, M.M.; Kadtke, J.B.

    1989-05-15

    An expression is derived for the energy density of a lattice of point vortices (or other logarithmic objects) having an arbitrary number of vortices of arbitrary strengths in an arbitrary unit cell. The result is expressed in the form of a rapidly convergent series well suited for numerical evaluation. The effects of separately changing the shape and dimensions of the unit cell are shown for simple cases, and the energy of the triangular lattice is calculated as a function of slip displacement.

  10. Arena3D: visualization of biological networks in 3D

    PubMed Central

    Pavlopoulos, Georgios A; O'Donoghue, Seán I; Satagopam, Venkata P; Soldatos, Theodoros G; Pafilis, Evangelos; Schneider, Reinhard

    2008-01-01

    Background Complexity is a key problem when visualizing biological networks; as the number of entities increases, most graphical views become incomprehensible. Our goal is to enable many thousands of entities to be visualized meaningfully and with high performance. Results We present a new visualization tool, Arena3D, which introduces a new concept of staggered layers in 3D space. Related data – such as proteins, chemicals, or pathways – can be grouped onto separate layers and arranged via layout algorithms, such as Fruchterman-Reingold, distance geometry, and a novel hierarchical layout. Data on a layer can be clustered via k-means, affinity propagation, Markov clustering, neighbor joining, tree clustering, or UPGMA ('unweighted pair-group method with arithmetic mean'). A simple input format defines the name and URL for each node, and defines connections or similarity scores between pairs of nodes. The use of Arena3D is illustrated with datasets related to Huntington's disease. Conclusion Arena3D is a user friendly visualization tool that is able to visualize biological or any other network in 3D space. It is free for academic use and runs on any platform. It can be downloaded or lunched directly from . Java3D library and Java 1.5 need to be pre-installed for the software to run. PMID:19040715