Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions
NASA Astrophysics Data System (ADS)
Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René
2016-06-01
Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states.
Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions.
Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René
2016-06-24
Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states. PMID:27391753
Hexagonal structure of baby Skyrmion lattices
Hen, Itay; Karliner, Marek
2008-03-01
We study the zero-temperature crystalline structure of baby Skyrmions by applying a full-field numerical minimization algorithm to baby Skyrmions placed inside different parallelogramic unit cells and imposing periodic boundary conditions. We find that within this setup, the minimal energy is obtained for the hexagonal lattice, and that in the resulting configuration the Skyrmion splits into quarter Skyrmions. In particular, we find that the energy in the hexagonal case is lower than the one obtained on the well-studied rectangular lattice, in which splitting into half Skyrmions is observed.
HEXAGONAL ARRAY STRUCTURE FOR 2D NDE APPLICATIONS
Dziewierz, J.; Ramadas, S. N.; Gachagan, A.; O'Leary, R. L.
2010-02-22
This paper describes a combination of simulation and experimentation to evaluate the advantages offered by utilizing a hexagonal shaped array element in a 2D NDE array structure. The active material is a 1-3 connectivity piezoelectric composite structure incorporating triangular shaped pillars--each hexagonal array element comprising six triangular pillars. A combination of PZFlex, COMSOL and Matlab has been used to simulate the behavior of this device microstructure, for operation around 2.25 MHz, with unimodal behavior and low levels of mechanical cross-coupling predicted. Furthermore, the application of hexagonal array elements enables the array aperture to increase by approximately 30%, compared to a conventional orthogonal array matrix and hence will provide enhanced volumetric coverage and SNR. Prototype array configurations demonstrate good corroboration of the theoretically predicted mechanical cross-coupling between adjacent array elements (approx23 dB).
Discrete breathers in hexagonal dusty plasma lattices
Koukouloyannis, V.; Kourakis, I.
2009-08-15
The occurrence of single-site or multisite localized vibrational modes, also called discrete breathers, in two-dimensional hexagonal dusty plasma lattices is investigated. The system is described by a Klein-Gordon hexagonal lattice characterized by a negative coupling parameter epsilon in account of its inverse dispersive behavior. A theoretical analysis is performed in order to establish the possibility of existence of single as well as three-site discrete breathers in such systems. The study is complemented by a numerical investigation based on experimentally provided potential forms. This investigation shows that a dusty plasma lattice can support single-site discrete breathers, while three-site in phase breathers could exist if specific conditions, about the intergrain interaction strength, would hold. On the other hand, out of phase and vortex three-site breathers cannot be supported since they are highly unstable.
Ultracold Quantum Gases in Hexagonal Optical Lattices
NASA Astrophysics Data System (ADS)
Sengstock, Klaus
2010-03-01
Hexagonal structures occur in a vast variety of systems, ranging from honeycombs of bees in life sciences to carbon nanotubes in material sciences. The latter, in particular its unfolded two-dimensional layer -- Graphene -- has rapidly grown to one of the most discussed topics in condensed-matter physics. Not only does it show proximity to various carbon-based materials but also exceptional properties owing to its unusual energy spectrum. In quantum optics, ultracold quantum gases confined in periodic light fields have shown to be very general and versatile instruments to mimic solid state systems. However, so far nearly all experiments were performed in cubic lattice geometries only. Here we report on the first experimental realization of ultracold quantum gases in a state-dependent, two-dimensional, Graphene-like optical lattice with hexagonal symmetry. The lattice is realized via a spin-dependent optical lattice structure with alternating σ^+ and σ^- -sites and thus constitutes a so called `magnetic'-lattice with `antiferromagnetic'-structure. Atoms with different spin orientation can be loaded to specific lattice sites or -- depending on the parameters -- to the whole lattice. As a consequence e.g. superpositions of a superfluid spin component with a different spin component in the Mott-insulating phase can be realized as well as spin-dependent transport properties, disorder etc. After preparing an antiferromagnetically ordered state we e.g. measure sustainable changes of the transport properties of the atoms. This manifests in a significant reduction of the tunneling as compared to a single-component system. We attribute this observation to a partial tunneling blockade for one spin component induced by population in another spin component localized at alternating lattice sites. Within a Gutzwiller-Ansatz we calculate the phase diagrams for the mixed spin-states and find very good agreement with our experimental results. Moreover, by state-resolved recording
2D metamaterials with hexagonal structure: spatial resonances and near field imaging.
Zhuromskyy, O; Shamonina, E; Solymar, L
2005-11-14
The current and field distribution in a 2D metamaterial consisting of resonant elements in a hexagonal arrangement are found assuming magnetic interaction between the elements. The dispersion equation of magnetoinductive (MI) waves is derived with the aid of the direct and reciprocal lattice familiar from solid state theory. A continuous model for the current variation in the elements is introduced leading to the familiar wave equation in the form of a second order differential equation. The current distributions are shown to exhibit a series of spatial resonances for rectangular, circular and hexagonal boundaries. The axial and radial components of the resulting magnetic field are compared with previously obtained experimental results on a Swiss Roll metamaterial with hexagonal boundaries. Experimental and theoretical results are also compared for the near field image of an object in the shape of the letter M followed by a more general discussion of imaging. It is concluded that a theoretical formulation based on the propagation of MI waves can correctly describe the experimental results. PMID:19503131
Multilayer DNA origami packed on hexagonal and hybrid lattices.
Ke, Yonggang; Voigt, Niels V; Gothelf, Kurt V; Shih, William M
2012-01-25
"Scaffolded DNA origami" has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology. PMID:22187940
Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin.
Saxena, Sumit; Chaudhary, Raghvendra Pratap; Shukla, Shobha
2016-01-01
Stanene is one of most important of 2D materials due to its potential to demonstrate room temperature topological effects due to opening of spin-orbit gap. In this pursuit we report synthesis and investigation of optical properties of stanene up to few layers, a two-dimensional hexagonal structural analogue of graphene. Atomic scale morphological and elemental characterization using HRTEM equipped with SAED and EDAX detectors confirm the presence of hexagonal lattice of Sn atoms. The position of Raman peak along with the inter-planar 'd' spacing obtained from SAED for prepared samples are in good agreement with that obtained from first principles calculations and confirm that the sheets are not (111) α-Sn sheets. Further, the optical signature calculated using density functional theory at ~191 nm and ~233 nm for low buckled stanene are in qualitative agreement with the measured UV-Vis absorption spectrum. AFM measurements suggest interlayer spacing of ~0.33 nm in good agreement with that reported for epitaxial stanene sheets. No traces of oxygen were observed in the EDAX spectrum suggesting the absence of any oxidized phases. This is also confirmed by Raman measurements by comparing with oxidized stanene sheets. PMID:27492139
Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin
Saxena, Sumit; Chaudhary, Raghvendra Pratap; Shukla, Shobha
2016-01-01
Stanene is one of most important of 2D materials due to its potential to demonstrate room temperature topological effects due to opening of spin-orbit gap. In this pursuit we report synthesis and investigation of optical properties of stanene up to few layers, a two-dimensional hexagonal structural analogue of graphene. Atomic scale morphological and elemental characterization using HRTEM equipped with SAED and EDAX detectors confirm the presence of hexagonal lattice of Sn atoms. The position of Raman peak along with the inter-planar ‘d’ spacing obtained from SAED for prepared samples are in good agreement with that obtained from first principles calculations and confirm that the sheets are not (111) α-Sn sheets. Further, the optical signature calculated using density functional theory at ~191 nm and ~233 nm for low buckled stanene are in qualitative agreement with the measured UV-Vis absorption spectrum. AFM measurements suggest interlayer spacing of ~0.33 nm in good agreement with that reported for epitaxial stanene sheets. No traces of oxygen were observed in the EDAX spectrum suggesting the absence of any oxidized phases. This is also confirmed by Raman measurements by comparing with oxidized stanene sheets. PMID:27492139
Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin
NASA Astrophysics Data System (ADS)
Saxena, Sumit; Chaudhary, Raghvendra Pratap; Shukla, Shobha
2016-08-01
Stanene is one of most important of 2D materials due to its potential to demonstrate room temperature topological effects due to opening of spin-orbit gap. In this pursuit we report synthesis and investigation of optical properties of stanene up to few layers, a two-dimensional hexagonal structural analogue of graphene. Atomic scale morphological and elemental characterization using HRTEM equipped with SAED and EDAX detectors confirm the presence of hexagonal lattice of Sn atoms. The position of Raman peak along with the inter-planar ‘d’ spacing obtained from SAED for prepared samples are in good agreement with that obtained from first principles calculations and confirm that the sheets are not (111) α-Sn sheets. Further, the optical signature calculated using density functional theory at ~191 nm and ~233 nm for low buckled stanene are in qualitative agreement with the measured UV-Vis absorption spectrum. AFM measurements suggest interlayer spacing of ~0.33 nm in good agreement with that reported for epitaxial stanene sheets. No traces of oxygen were observed in the EDAX spectrum suggesting the absence of any oxidized phases. This is also confirmed by Raman measurements by comparing with oxidized stanene sheets.
NASA Astrophysics Data System (ADS)
Ma, Yandong; Kou, Liangzhi; Li, Xiao; Dai, Ying; Heine, Thomas
2016-01-01
So far, several transition metal dichalcogenide (TMDC)-based two-dimensional (2D) topological insulators (TIs) have been discovered, all of them based on a tetragonal lattice. However, in 2D crystals, the hexagonal rather than the tetragonal symmetry is the most common motif. Here, based on first principles calculations, we propose a class of stable 2D TMDCs of composition MX2(M =Mo ,W ;X =S ,Se ,Te ) with a hexagonal lattice. They are all in the same stability range as other 2D TMDC allotropes that have been demonstrated experimentally, and they are identified to be practical 2D TIs with large band gaps ranging from 41 to 198 meV, making them suitable for applications at room temperature. Besides, in contrast to tetragonal 2D TMDCs, their hexagonal lattice will greatly facilitate the integration of theses novel TI state van der Waals crystals with other hexagonal or honeycomb materials and thus provide a route for 2D material-based devices for wider nanoelectronic and spintronic applications. The nontrivial band gaps of both WS e2 and WT e2 2D crystals are 198 meV, which are larger than that in any previously reported TMDC-based TIs. These large band gaps entirely stem from the strong spin orbit coupling strength within the d orbitals of Mo/W atoms near the Fermi level. Our findings broaden the scientific and technological impact of both 2D TIs and TMDCs.
Analysis of photonic logic gates based on single hexagonal-lattice photonic crystal ring resonator
NASA Astrophysics Data System (ADS)
Jiang, Junzhen; Qiang, Zexuan; Xu, Xiaofu; Chen, Xiyao
2011-01-01
We devised a new configuration of optical logic gates based on a single hexagonal-lattice photonic crystal ring resonator (PCRR) composed of two-dimensional (2D) cylindrical silicon rods in air. The modal behavior of the proposed logic gates was comprehensively analyzed with a topology optimization technique based on the principle of beam interference and perturbation theory. It was then numerically verified by using a 2D finite-difference time-domain technique. The predictions have a very good agreement with the numerical results. This new single PCRR can really function as NOT and NOR gates. And the logic ``0'' and ``1'' of the hexagonal ring can be defined as less than 8% and greater than 86%, respectively, much better than earlier reported square-lattice results.
Optimization and Design of 2d Honeycomb Lattice Photonic Crystal Modulated by Liquid Crystals
NASA Astrophysics Data System (ADS)
Guo, Caihong; Zheng, Jihong; Gui, Kun; Zhang, Menghua; Zhuang, Songlin
2013-12-01
Photonic crystals (PCs) with infiltrating liquid crystals (LCs) have many potential applications because of their ability to continuously modulate the band-gaps. Using the plane-wave expansion method (PWM), we simulate the band-gap distribution of 2D honeycomb lattice PC with different pillar structures (circle, hexagonal and square pillar) and with different filling ratios, considering both when the LC is used as filling pillar material and semiconductors (Si, Ge) are used in the substrate, and when the semiconductors (Si, Ge) are pillar material and the LC is the substrate. Results show that unlike LC-based triangle lattice PC, optimized honeycomb lattice PC has the ability to generate absolute photonic band-gaps for fabricating optical switches. We provide optimization parameters for LC infiltrating honeycomb lattice PC structure based on simulation results and analysis.
Beam-Plasma Instabilities in a 2D Yukawa Lattice
Kyrkos, S.; Kalman, G. J.; Rosenberg, M.
2009-06-05
We consider a 2D Yukawa lattice of grains, with a beam of other charged grains moving in the lattice plane. In contrast to Vlasov plasmas, where the electrostatic instability excited by the beam is only longitudinal, here both longitudinal and transverse instabilities of the lattice phonons can develop. We determine and compare the transverse and longitudinal growth rates. The growth rate spectrum in wave number space exhibits remarkable gaps where no instability can develop. Depending on the system parameters, the transverse instability can be selectively excited.
Unitary quantum lattice gas representation of 2D quantum turbulence
NASA Astrophysics Data System (ADS)
Zhang, Bo; Vahala, George; Vahala, Linda; Soe, Min
2011-05-01
Quantum vortex structures and energy cascades are examined for two dimensional quantum turbulence (2D QT) using a special unitary evolution algorithm. The qubit lattice gas (QLG) algorithm, is employed to simulate the weakly-coupled Bose-Einstein condensate (BEC) governed by the Gross-Pitaevskii (GP) equation. A parameter regime is uncovered in which, as in 3D QT, there is a very short Poincare recurrence time. This short recurrence time is destroyed as the nonlinear interaction energy is increased. Energy cascades for 2D QT are considered to examine whether 2D QT exhibits the inverse cascades of 2D classical turbulence. In the parameter regime considered, the spectra analysis reveals no such dual cascades---dual cascades being a hallmark of 2D classical turbulence.
NASA Astrophysics Data System (ADS)
Venderbos, J. W. F.
2016-03-01
In this work we introduce a symmetry classification for electronic density waves which break translational symmetry due to commensurate wave-vector modulations. The symmetry classification builds on the concept of extended point groups: symmetry groups which contain, in addition to the lattice point group, translations that do not map the enlarged unit cell of the density wave to itself, and become "nonsymmorphic"-like elements. Multidimensional representations of the extended point group are associated with degenerate wave vectors. Electronic properties such as (nodal) band degeneracies and topological character can be straightforwardly addressed, and often follow directly. To further flesh out the idea of symmetry, the classification is constructed so as to manifestly distinguish time-reversal invariant charge (i.e., site and bond) order, and time-reversal breaking flux order. For the purpose of this work, we particularize to spin-rotation invariant density waves. As a first example of the application of the classification we consider the density waves of a simple single- and two-orbital square lattice model. The main objective, however, is to apply the classification to two-dimensional (2D) hexagonal lattices, specifically the triangular and the honeycomb lattices. The multicomponent density waves corresponding to the commensurate M -point ordering vectors are worked out in detail. To show that our results generally apply to 2 D hexagonal lattices, we develop a general low-energy SU(3 ) theory of (spinless) saddle-point electrons.
Lattice-Polarity-Driven Epitaxy of Hexagonal Semiconductor Nanowires.
Wang, Ping; Yuan, Ying; Zhao, Chao; Wang, Xinqiang; Zheng, Xiantong; Rong, Xin; Wang, Tao; Sheng, Bowen; Wang, Qingxiao; Zhang, Yongqiang; Bian, Lifeng; Yang, Xuelin; Xu, Fujun; Qin, Zhixin; Li, Xinzheng; Zhang, Xixiang; Shen, Bo
2016-02-10
Lattice-polarity-driven epitaxy of hexagonal semiconductor nanowires (NWs) is demonstrated on InN NWs. In-polarity InN NWs form typical hexagonal structure with pyramidal growth front, whereas N-polarity InN NWs slowly turn to the shape of hexagonal pyramid and then convert to an inverted pyramid growth, forming diagonal pyramids with flat surfaces and finally coalescence with each other. This contrary growth behavior driven by lattice-polarity is most likely due to the relatively lower growth rate of the (0001̅) plane, which results from the fact that the diffusion barriers of In and N adatoms on the (0001) plane (0.18 and 1.0 eV, respectively) are about 2-fold larger in magnitude than those on the (0001̅) plane (0.07 and 0.52 eV), as calculated by first-principles density functional theory (DFT). The formation of diagonal pyramids for the N-polarity hexagonal NWs affords a novel way to locate quantum dot in the kink position, suggesting a new recipe for the fabrication of dot-based devices. PMID:26694227
Influence of lattice defects on the ferromagnetic resonance behaviour of 2D magnonic crystals
NASA Astrophysics Data System (ADS)
Manzin, Alessandra; Barrera, Gabriele; Celegato, Federica; Coïsson, Marco; Tiberto, Paola
2016-02-01
This paper studies, from a modelling point of view, the influence of randomly distributed lattice defects (non-patterned areas and variable hole size) on the ferromagnetic resonance behaviour and spin wave mode profiles of 2D magnonic crystals based on Ni80Fe20 antidot arrays with hexagonal lattice. A reference sample is first defined via the comparison of experimental and simulated hysteresis loops and magnetoresistive curves of patterned films, prepared by self-assembly of polystyrene nanospheres. Second, a parametric analysis of the dynamic response is performed, investigating how edge, quasi-uniform and localized modes are affected by alterations of the lattice geometry and bias field amplitude. Finally, some results about the possible use of magnetic antidot arrays in frequency-based sensors for magnetic bead detection are presented, highlighting the need for an accurate control of microstructural features.
Influence of lattice defects on the ferromagnetic resonance behaviour of 2D magnonic crystals.
Manzin, Alessandra; Barrera, Gabriele; Celegato, Federica; Coïsson, Marco; Tiberto, Paola
2016-01-01
This paper studies, from a modelling point of view, the influence of randomly distributed lattice defects (non-patterned areas and variable hole size) on the ferromagnetic resonance behaviour and spin wave mode profiles of 2D magnonic crystals based on Ni80Fe20 antidot arrays with hexagonal lattice. A reference sample is first defined via the comparison of experimental and simulated hysteresis loops and magnetoresistive curves of patterned films, prepared by self-assembly of polystyrene nanospheres. Second, a parametric analysis of the dynamic response is performed, investigating how edge, quasi-uniform and localized modes are affected by alterations of the lattice geometry and bias field amplitude. Finally, some results about the possible use of magnetic antidot arrays in frequency-based sensors for magnetic bead detection are presented, highlighting the need for an accurate control of microstructural features. PMID:26911336
Influence of lattice defects on the ferromagnetic resonance behaviour of 2D magnonic crystals
Manzin, Alessandra; Barrera, Gabriele; Celegato, Federica; Coïsson, Marco; Tiberto, Paola
2016-01-01
This paper studies, from a modelling point of view, the influence of randomly distributed lattice defects (non-patterned areas and variable hole size) on the ferromagnetic resonance behaviour and spin wave mode profiles of 2D magnonic crystals based on Ni80Fe20 antidot arrays with hexagonal lattice. A reference sample is first defined via the comparison of experimental and simulated hysteresis loops and magnetoresistive curves of patterned films, prepared by self-assembly of polystyrene nanospheres. Second, a parametric analysis of the dynamic response is performed, investigating how edge, quasi-uniform and localized modes are affected by alterations of the lattice geometry and bias field amplitude. Finally, some results about the possible use of magnetic antidot arrays in frequency-based sensors for magnetic bead detection are presented, highlighting the need for an accurate control of microstructural features. PMID:26911336
Optical properties of GaAs 2D hexagonal and cubic photonic crystal
Arab, F. Assali, A.; Grain, R.; Kanouni, F.
2015-03-30
In this paper we present our theoretical study of 2D hexagonal and cubic rods GaAs in air, with plan wave expansion (PWE) and finite difference time domain (FDTD) by using BandSOLVE and FullWAVE of Rsoft photonic CAD package. In order to investigate the effect of symmetry and radius, we performed calculations of the band structures for both TM and TE polarization, contour and electromagnetic propagation and transmission spectra. Our calculations show that the hexagonal structure gives a largest band gaps compare to cubic one for a same filling factor.
NASA Astrophysics Data System (ADS)
Kim, Hyun-Jung; Li, Chaokai; Feng, Ji; Cho, Jun-Hyung; Zhang, Zhenyu
2016-01-01
The exploration of topological states is of significant fundamental and practical importance in contemporary condensed matter physics, for which the extension to two-dimensional (2D) organometallic systems is particularly attractive. Using first-principles calculations, we show that a 2D hexagonal triphenyl-lead lattice composed of only main group elements is susceptible to a magnetic instability, characterized by a considerably more stable antiferromagnetic (AFM) insulating state rather than the topologically nontrivial quantum spin Hall state proposed recently. Even though this AFM phase is topologically trivial, it possesses an intricate emergent degree of freedom, defined by the product of spin and valley indices, leading to Berry curvature-induced spin and valley currents under electron or hole doping. Furthermore, such a trivial band insulator can be tuned into a topologically nontrivial matter by the application of an out-of-plane electric field, which destroys the AFM order, favoring instead ferrimagnetic spin ordering and a quantum anomalous Hall state with a nonzero topological invariant. These findings further enrich our understanding of 2D hexagonal organometallic lattices for potential applications in spintronics and valleytronics.
Beyond the simple hexagonal Abrikosov vortex lattice in layered superconductors
NASA Astrophysics Data System (ADS)
Feinberg, D.; Ettouhami, A. M.
1993-01-01
In layered superconductors as high-Tc materials but also organic superconductors, chalcogenides and superlattices, the simple concept of an distorted hexagonal lattice of straight vortices becomes unsufficient. Due to anisotropy and short coherence lengths, quite new vortex structures may arise. Some of them, as staircase vortices, simply add a modulation in the direction of vortex lines. This phenomenon is reviewed, together with the resulting lock-in transition, especially when the effects of the layered structure are weak. More exotic structures like a decomposed vortex lattice can also occur in specific situations: they involve two perpendicular sublattices, one parallel and one normal to the layers. We propose that extended defects as twin boundaries or irradiation tracks can trigger such a structure even in moderately anisotropic compounds as Y:123.
Proposal for generating synthetic magnetic fields in hexagonal optical lattices
NASA Astrophysics Data System (ADS)
Tian, Binbin; Endres, Manuel; Pekker, David
2015-05-01
We propose a new approach to generating synthetic magnetic fields in ultra cold atom systems that does not rely on either Raman transitions nor periodic drive. Instead, we consider a hexagonal optical lattice produced by the intersection of three laser beams at 120 degree angles, where the intensity of one or more of the beams is spatially non-uniform. The resulting optical lattice remains hexagonal, but has spatially varying hopping matrix elements. For atoms near the Dirac points, these spatial variations appear as a gauge field, similar to the fictitious gauge field that is induced for for electrons in strained graphene. We suggest that a robust way to generate a gauge field that corresponds to a uniform flux is to aligning three gaussian beams to intersect in an equilateral triangle. Using realistic experimental parameters, we show how the proposed setup can be used to observe cyclotron motion of an atom cloud - the conventional Hall effect and distinct Landau levels - the integer quantum Hall effect.
Discrete solitons and vortices in anisotropic hexagonal and honeycomb lattices
NASA Astrophysics Data System (ADS)
Hoq, Q. E.; Kevrekidis, P. G.; Bishop, A. R.
2016-02-01
In the present work, we consider the self-focusing discrete nonlinear Schrödinger equation on hexagonal and honeycomb lattice geometries. Our emphasis is on the study of the effects of anisotropy, motivated by the tunability afforded in recent optical and atomic physics experiments. We find that multi-soliton and discrete vortex states undergo destabilizing bifurcations as the relevant anisotropy control parameter is varied. We quantify these bifurcations by means of explicit analytical calculations of the solutions, as well as of their spectral linearization eigenvalues. Finally, we corroborate the relevant stability picture through direct numerical computations. In the latter, we observe the prototypical manifestation of these instabilities to be the spontaneous rearrangement of the solution, for larger values of the coupling, into localized waveforms typically centered over fewer sites than the original unstable structure. For weak coupling, the instability appears to result in a robust breathing of the relevant waveforms.
Discrete solitons and vortices in anisotropic hexagonal and honeycomb lattices
Hoq, Q. E.; Kevrekidis, P. G.; Bishop, A. R.
2016-01-14
We consider the self-focusing discrete nonlinear Schrödinger equation on hexagonal and honeycomb lattice geometries. Our emphasis is on the study of the effects of anisotropy, motivated by the tunability afforded in recent optical and atomic physics experiments. We find that multi-soliton and discrete vortex states undergo destabilizing bifurcations as the relevant anisotropy control parameter is varied. Furthermore, we quantify these bifurcations by means of explicit analytical calculations of the solutions, as well as of their spectral linearization eigenvalues. Finally, we corroborate the relevant stability picture through direct numerical computations. In the latter, we observe the prototypical manifestation of these instabilitiesmore » to be the spontaneous rearrangement of the solution, for larger values of the coupling, into localized waveforms typically centered over fewer sites than the original unstable structure. In weak coupling, the instability appears to result in a robust breathing of the relevant waveforms.« less
Giant, Hollow 2D Metalloarchitecture: Stepwise Self-Assembly of a Hexagonal Supramolecular Nut.
Li, Yiming; Jiang, Zhilong; Wang, Ming; Yuan, Jie; Liu, Die; Yang, Xiaoyu; Chen, Mingzhao; Yan, Jun; Li, Xiaopeng; Wang, Pingshan
2016-08-10
A polyterpyridinyl building block-based nutlike hexagonal bismetallo architecture with a central hollow Star of David was assembled by a stepwise strategy. This nanoarchitecture can be viewed as a recursive mathematical form that possesses a supramolecular corner-connected cyclic structure, i.e., a triangle or rhombus at various levels of scale or detail. The key metallo-organic ligand (MOL) with four uncomplexed free terpyridines was obtained by a final Suzuki cross-coupling reaction with a tetrabromoterpyridine Ru dimer. The molecular metallorhombus was prepared by reacting the MOL with a 60° bis-terpyridine and Fe(2+). The giant hollow hexagonal nut with a diameter of more than 11 nm and a molecular weight of ca. 33 kDa was obtained in near-quantitative yield by mixing the two types of multi-terpyridine ligands with Fe(2+). The supramolecular architecture was characterized by NMR ((1)H and (13)C), 2D NMR (COSY and ROESY), and DOSY spectroscopies, high-resolution electrospray ionization mass spectrometry, traveling-wave ion mobility mass spectrometry, and transmission electron microscopy. PMID:27447878
Electronic and geometrical properties of monoatomic and diatomic 2D honeycomb lattices. A DFT study
NASA Astrophysics Data System (ADS)
Rojas, Ángela; Rey, Rafael; Fonseca, Karen; Grupo de Óptica e Información Cuántica Team
Since the discovery of graphene by Geim and Novoselov at 2004, several analogous systems have been theoretically and experimentally studied, due to their technological interest. Both monoatomic lattices, such as silicine and germanene, and diatomic lattices (h-GaAs and h-GaN) have been studied. Using Density Functional Theory we obtain and confirm the chemical stability of these hexagonal 2D systems through the total energy curves as a function of interatomic distance. Unlike graphene, silicine and germanene, gapless materials, h-GaAs and h-GaN exhibit electronic gaps, different from that of the bulk, which could be interesting for the industry. On the other hand, the ab initio band structure calculations for graphene, silicene and germanene show a non-circular cross section around K points, at variance with the prediction of usual Tight-binding models. In fact, we have found that Dirac cones display a dihedral group symmetry. This implies that Fermi speed can change up to 30 % due to the orientation of the wave vector, for both electrons and holes. Traditional analytic studies use the Dirac equation for the electron dynamics at low energies. However, this equation assumes an isotropic, homogeneous and uniform space. Authors would like to thank the División de Investigación Sede Bogotá for their financial support at Universidad Nacional de Colombia. A. M. Rojas-Cuervo would also like to thank the Colciencias, Colombia.
Thermally induced formation of 2D hexagonal BN nanoplates with tunable characteristics
Nersisyan, Hayk; Lee, Tae-Hyuk; Lee, Kap-Ho; Jeong, Seong-Uk; Kang, Kyung-Soo; Bae, Ki-Kwang; Lee, Jong-Hyeon
2015-05-15
We have investigated a thermally induced combustion route for preparing 2D hexagonal BN nanoplates from B{sub 2}O{sub 3}+(3+0.5k)Mg+kNH{sub 4}Cl solid system, for k=1–4 interval. Temperature–time profiles recorded by thermocouples indicated the existence of two sequential exothermic processes in the combustion wave leading to the BN nanoplates formation. The resulting BN nanoplates were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy, PL spectrometry, and Brunauer–Emmett–Teller surface area analysis. It was found that B{sub 2}O{sub 3} was converted into BN completely (by XRD) at 1450–1930 °C within tens of seconds in a single-step synthesis process. The BN prepared at a k=1–4 interval comprised well-shaped nanoplates with an average edge length ranging from 50 nm to several micrometer and thickness from 5 to 100 nm. The specific surface area of BN nanoplates was 13.7 g/m{sup 2} for k=2 and 28.4 m{sup 2}/g for k=4. - Graphical abstract: 2D hexagonal BN nanoplates with an average edge length ranging from 50 nm to several micrometer and thickness from 5 to 100 nm were prepared by combustion of B{sub 2}O{sub 3}+(3+0.5k)Mg+kNH{sub 4}Cl solid mixture in nitrogen atmosphere. - Highlights: • Thermally induced combustion route was developed for synthesizing BN nanoplates from B{sub 2}O{sub 3}. • Mg was used as reductive agent and NH{sub 4}Cl as an effective nitrogen source. • Temperature–time profiles and the combustion parameters were recorded and discussed. • BN with an average edge length from 50 nm to several micrometer and thickness from 5 to 100 nm were prepared. • Our study clarifies the formation mechanism of BN in the combustion wave.
Thermal Conductance at the 2D MoS2-hexagonal Boron Nitride Interface
NASA Astrophysics Data System (ADS)
Liu, Yi; Hippalgaonkar, Kedar; Ong, Zhun Yong; Thong, John Tl; Qiu, Chengwei
In recent years, a number of 2D heterostructure devices have emerged, including graphene/hexagonal boron nitride (h-BN), graphene/MoS2 and MoS2/ h-BN. Among them, MoS2/ h-BN field-effect transistors with MoS2 channels and h-BN dielectric have been reported to have higher carrier mobility and reduced hysteresis compared to MoS2 on SiO2. Despite relatively high in-plane thermal conductivity of MoS2 and h-BN, heat dissipation from these 2D devices is mainly limited by heat transfer in the vertical direction. Consequently, their operating temperatures are strongly influenced by the interface thermal conductance. In this work, we demonstrate the measurement of interface thermal conductance between MoS2 and h-BN. This is realized by electrically heating MoS2 and monitoring their temperatures through Raman spectroscopy. The obtained interface thermal conductance between MoS2 and h-BN is 1.77 MW/m2K, smaller than the reported value for the graphene/ h-BN interface, due to the weak coupling of phonon modes between MoS2 and h-BN based on our NEGF calculation. The low interface thermal conductance value suggests this interface is not favorable for heat dissipation, and should be considered carefully for the design of electronic and optoelectronic devices based on MoS2/ h-BN heterostructures.
NASA Astrophysics Data System (ADS)
Guan, Zhen; Heinonen, Vili; Lowengrub, John; Wang, Cheng; Wise, Steven M.
2016-09-01
In this paper we construct an energy stable finite difference scheme for the amplitude expansion equations for the two-dimensional phase field crystal (PFC) model. The equations are formulated in a periodic hexagonal domain with respect to the reciprocal lattice vectors to achieve a provably unconditionally energy stable and solvable scheme. To our knowledge, this is the first such energy stable scheme for the PFC amplitude equations. The convexity of each part in the amplitude equations is analyzed, in both the semi-discrete and fully-discrete cases. Energy stability is based on a careful convexity analysis for the energy (in both the spatially continuous and discrete cases). As a result, unique solvability and unconditional energy stability are available for the resulting scheme. Moreover, we show that the scheme is point-wise stable for any time and space step sizes. An efficient multigrid solver is devised to solve the scheme, and a few numerical experiments are presented, including grain rotation and shrinkage and grain growth studies, as examples of the strength and robustness of the proposed scheme and solver.
Thermally induced formation of 2D hexagonal BN nanoplates with tunable characteristics
NASA Astrophysics Data System (ADS)
Nersisyan, Hayk; Lee, Tae-Hyuk; Lee, Kap-Ho; Jeong, Seong-Uk; Kang, Kyung-Soo; Bae, Ki-Kwang; Lee, Jong-Hyeon
2015-05-01
We have investigated a thermally induced combustion route for preparing 2D hexagonal BN nanoplates from B2O3+(3+0.5k)Mg+kNH4Cl solid system, for k=1-4 interval. Temperature-time profiles recorded by thermocouples indicated the existence of two sequential exothermic processes in the combustion wave leading to the BN nanoplates formation. The resulting BN nanoplates were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy, PL spectrometry, and Brunauer-Emmett-Teller surface area analysis. It was found that B2O3 was converted into BN completely (by XRD) at 1450-1930 °C within tens of seconds in a single-step synthesis process. The BN prepared at a k=1-4 interval comprised well-shaped nanoplates with an average edge length ranging from 50 nm to several micrometer and thickness from 5 to 100 nm. The specific surface area of BN nanoplates was 13.7 g/m2 for k=2 and 28.4 m2/g for k=4.
Lattice Boltzmann Equation On a 2D Rectangular Grid
NASA Technical Reports Server (NTRS)
Bouzidi, MHamed; DHumieres, Dominique; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)
2002-01-01
We construct a multi-relaxation lattice Boltzmann model on a two-dimensional rectangular grid. The model is partly inspired by a previous work of Koelman to construct a lattice BGK model on a two-dimensional rectangular grid. The linearized dispersion equation is analyzed to obtain the constraints on the isotropy of the transport coefficients and Galilean invariance for various wave propagations in the model. The linear stability of the model is also studied. The model is numerically tested for three cases: (a) a vortex moving with a constant velocity on a mesh periodic boundary conditions; (b) Poiseuille flow with an arbitrasy inclined angle with respect to the lattice orientation: and (c) a cylinder &symmetrically placed in a channel. The numerical results of these tests are compared with either analytic solutions or the results obtained by other methods. Satisfactory results are obtained for the numerical simulations.
Mechaly, Ariel E; Bellomio, Augusto; Morante, Koldo; Agirre, Jon; Gil-Cartón, David; Valle, Mikel; González-Mañas, Juan Manuel; Guérin, Diego M A
2012-11-01
The recent high-resolution structure of the toxin FraC derived from the sea anemone Actinia fragacea has provided new insight into the mechanism of pore formation by actinoporins. In this work, we report two new crystal forms of FraC in its oligomeric prepore conformation. Together with the previously reported structure, these two new structures reveal that ring-like nonamers of the toxin assemble into compact two-dimensional hexagonal arrays. This supramolecular organization is maintained in different relative orientations adopted by the oligomers within the crystal layers. Analyses of the aggregation of FraC pores in both planar and curved (vesicles) model membranes show similar 2D hexagonal arrangements. Our observations support a model in which hexagonal pore-packing is a clustering mechanism that maximizes toxin-driven membrane damage in the target cell. PMID:22728830
Lattice Formulation of 2D SQCD with exact supersymmetry
Sugino, Fumihiko
2008-11-23
We construct a lattice model for two-dimensional N = (2,2) supersymmetric QCD (SQCD), with the matter multiplets belonging to the fundamental or anti-fundamental representation of the gauge group U(N) or SU(N). The construction is based on the topological field theory (twisted supercharge) formulation and exactly preserves one supercharge. In order to avoid the species doublers of the matter multiplets, we introduce the Wilson terms and the model is defined for the case of the number of the fundamental matters (n{sub +}) equal to that of the anti-fundamental matters (n{sub -}). If some of the matter multiplets decouple from the theory by sending the corresponding anti-holomorphic twisted masses to the infinity, we can analyze the general n{sub +}{ne}n{sub -} case, although the lattice model is defined for n{sub +} = n{sub -}. By computing the anomaly of the U(1){sub A} R-symmetry in the lattice perturbation, we see that the decoupling is achieved and the anomaly for n{sub +}{ne}n{sub -} is correctly obtained.
2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.
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
Dynamical polarizability of the 2D pseudospin-1 dice lattice
NASA Astrophysics Data System (ADS)
Malcolm, John; Nicol, Elisabeth
The two-dimensional dice lattice is composed of three triangular sublattices whose low-energy excitation spectrum consists of Dirac-Weyl fermions with pseudospin-1. The energy dispersion has two Dirac cones, like the pseudospin-1/2 two-triangular-sublattice graphene, with an additional third band exactly at zero energy. We present theoretical results for the electronic dynamical polarization function in the material. This is a fundamental entity in many-body physics, renormalizing the Coulomb interaction through the dielectric function. From the polarization function we also obtain the Lindhard function, the plasmon branch, and can discuss other screening effects. These are constrasted with those of graphene.
Quantum spin Hall phase in 2D trigonal lattice.
Wang, Z F; Jin, Kyung-Hwan; Liu, Feng
2016-01-01
The quantum spin Hall (QSH) phase is an exotic phenomena in condensed-matter physics. Here we show that a minimal basis of three orbitals (s, px, py) is required to produce a QSH phase via nearest-neighbour hopping in a two-dimensional trigonal lattice. Tight-binding model analyses and calculations show that the QSH phase arises from a spin-orbit coupling (SOC)-induced s-p band inversion or p-p bandgap opening at Brillouin zone centre (Γ point), whose topological phase diagram is mapped out in the parameter space of orbital energy and SOC. Remarkably, based on first-principles calculations, this exact model of QSH phase is shown to be realizable in an experimental system of Au/GaAs(111) surface with an SOC gap of ∼73 meV, facilitating the possible room-temperature measurement. Our results will extend the search for substrate supported QSH materials to new lattice and orbital types. PMID:27599580
Valley Hall Effect in Two-Dimensional Hexagonal Lattices
NASA Astrophysics Data System (ADS)
Yamamoto, Michihisa; Shimazaki, Yuya; Borzenets, Ivan V.; Tarucha, Seigo
2015-12-01
Valley is a quantum number defined for energetically degenerate but nonequivalent structures in energy bands of a crystalline material. Recent discoveries of two-dimensional (2D) layered materials have shed light on the potential use of this degree of freedom for information carriers because the valley can now be potentially manipulated in integrated 2D architectures. The valleys separated by a long distance in a momentum space are robust against external disturbance and the flow of the valley, the valley current, is nondissipative because it carries no net electronic current. Among the various 2D valley materials, graphene has by far the highest crystal quality, leading to an extremely long valley relaxation length in the bulk. In this review, we first describe the theoretical background of the valley Hall effect, which converts an electric field into a valley current. We then describe the first observation of the valley Hall effect in monolayer MoS2. Finally, we describe experiments on the generation and detection of the pure valley current in monolayer and bilayer graphene, achieved recently using the valley Hall effect and inverse valley Hall effect. While we show unambiguous evidence of a pure valley current flowing in graphene, we emphasize that the field of "valleytronics" is still in its infancy and that further theoretical and experimental investigations are necessary.
Computation of neutron fluxes in clusters of fuel pins arranged in hexagonal assemblies (2D and 3D)
Prabha, H.; Marleau, G.
2012-07-01
For computations of fluxes, we have used Carvik's method of collision probabilities. This method requires tracking algorithms. An algorithm to compute tracks (in 2D and 3D) has been developed for seven hexagonal geometries with cluster of fuel pins. This has been implemented in the NXT module of the code DRAGON. The flux distribution in cluster of pins has been computed by using this code. For testing the results, they are compared when possible with the EXCELT module of the code DRAGON. Tracks are plotted in the NXT module by using MATLAB, these plots are also presented here. Results are presented with increasing number of lines to show the convergence of these results. We have numerically computed volumes, surface areas and the percentage errors in these computations. These results show that 2D results converge faster than 3D results. The accuracy on the computation of fluxes up to second decimal is achieved with fewer lines. (authors)
Grid Cell Responses in 1D Environments Assessed as Slices through a 2D Lattice.
Yoon, KiJung; Lewallen, Sam; Kinkhabwala, Amina A; Tank, David W; Fiete, Ila R
2016-03-01
Grid cells, defined by their striking periodic spatial responses in open 2D arenas, appear to respond differently on 1D tracks: the multiple response fields are not periodically arranged, peak amplitudes vary across fields, and the mean spacing between fields is larger than in 2D environments. We ask whether such 1D responses are consistent with the system's 2D dynamics. Combining analytical and numerical methods, we show that the 1D responses of grid cells with stable 1D fields are consistent with a linear slice through a 2D triangular lattice. Further, the 1D responses of comodular cells are well described by parallel slices, and the offsets in the starting points of the 1D slices can predict the measured 2D relative spatial phase between the cells. From these results, we conclude that the 2D dynamics of these cells is preserved in 1D, suggesting a common computation during both types of navigation behavior. PMID:26898777
Manet, Sabine; Schmitt, Julien; Impéror-Clerc, Marianne; Zholobenko, Vladimir; Durand, Dominique; Oliveira, Cristiano L P; Pedersen, Jan Skov; Gervais, Christel; Baccile, Niki; Babonneau, Florence; Grillo, Isabelle; Meneau, Florian; Rochas, Cyrille
2011-10-01
The different steps of the self-assembly in solution of several 2D-hexagonal silica nanostructured SBA-15 materials have been investigated by SAXS and SANS in situ experiments. Unique quantitative information about the shape and size evolution upon time of the micellar aggregates throughout the self-assembly process is obtained using a complete model that describes well the scattering data for the various synthesis conditions. In all cases, before the precipitation of the material, the micelles shape changes from spherical to rod-like, where the structure of the rod-like micelles is linked to the structure of the 2D-hexagonal precipitated material. In addition, the kinetics of hydrolysis of the inorganic precursor (TEOS) has been determined by in situ Raman spectroscopy. More specifically, by comparing synthesis made with different acids (HNO(3), HBr, HCl, H(2)SO(4), and H(3)PO(4)), it is found that materials prepared using the "salting-out" anions (SO(4)(2-) and H(2)PO(4)(-)) are much better ordered than with the "salting-in" anions (NO(3)(-) and Br(-)). PMID:21863844
Interaction of water molecules with hexagonal 2D systems. A DFT study
NASA Astrophysics Data System (ADS)
Rojas, Ángela; Rey, Rafael
Over the years water sources have been contaminated with many chemical agents, becoming issues that affect health of the world population. The advances of the nanoscience and nanotechnology in the development new materials constitute an alternative for design molecular filters with great efficiencies and low cost for water treatment and purification. In the nanoscale, the process of filtration or separation of inorganic and organic pollutants from water requires to study interactions of these atoms or molecules with different nano-materials. Specifically, it is necessary to understand the role of these interactions in physical and chemical properties of the nano-materials. In this work, the main interest is to do a theoretical study of interaction between water molecules and 2D graphene-like systems, such as silicene (h-Si) or germanene (h-Ge). Using Density Functional Theory we calculate total energy curves as function of separation between of water molecules and 2D systems. Different spatial configurations of water molecules relative to 2D systems are considered. Structural relaxation effects and changes of electronic charge density also are reported. Universidad Nacional de Colombia.
Light Trapping Enhancement in a Thin Film with 2D Conformal Periodic Hexagonal Arrays.
Yang, Xi; Zhou, Suqiong; Wang, Dan; He, Jian; Zhou, Jun; Li, Xiaofeng; Gao, Pingqi; Ye, Jichun
2015-12-01
Applying a periodic light trapping array is an effective method to improve the optical properties in thin-film solar cells. In this work, we experimentally and theoretically investigate the light trapping properties of two-dimensional periodic hexagonal arrays in the framework of a conformal amorphous silicon film. Compared with the planar reference, the double-sided conformal periodic structures with all feature periodicities of sub-wavelength (300 nm), mid-wavelength (640 nm), and infrared wavelength (2300 nm) show significant broadband absorption enhancements under wide angles. The films with an optimum periodicity of 300 nm exhibit outstanding antireflection and excellent trade-off between light scattering performance and parasitic absorption loss. The average absorption of the optimum structure with a thickness of 160 nm is 64.8 %, which is much larger than the planar counterpart of 38.5 %. The methodology applied in this work can be generalized to rational design of other types of high-performance thin-film photovoltaic devices based on a broad range of materials. PMID:26153124
Light Trapping Enhancement in a Thin Film with 2D Conformal Periodic Hexagonal Arrays
NASA Astrophysics Data System (ADS)
Yang, Xi; Zhou, Suqiong; Wang, Dan; He, Jian; Zhou, Jun; Li, Xiaofeng; Gao, Pingqi; Ye, Jichun
2015-07-01
Applying a periodic light trapping array is an effective method to improve the optical properties in thin-film solar cells. In this work, we experimentally and theoretically investigate the light trapping properties of two-dimensional periodic hexagonal arrays in the framework of a conformal amorphous silicon film. Compared with the planar reference, the double-sided conformal periodic structures with all feature periodicities of sub-wavelength (300 nm), mid-wavelength (640 nm), and infrared wavelength (2300 nm) show significant broadband absorption enhancements under wide angles. The films with an optimum periodicity of 300 nm exhibit outstanding antireflection and excellent trade-off between light scattering performance and parasitic absorption loss. The average absorption of the optimum structure with a thickness of 160 nm is 64.8 %, which is much larger than the planar counterpart of 38.5 %. The methodology applied in this work can be generalized to rational design of other types of high-performance thin-film photovoltaic devices based on a broad range of materials.
Effect of large deformation pre-loads on the wave properties of hexagonal lattices
NASA Astrophysics Data System (ADS)
Pal, Raj Kumar; Rimoli, Julian; Ruzzene, Massimo
2016-05-01
We study linear wave propagation in nonlinear hexagonal lattices capable of undergoing large deformations, under different levels of pre-load. The lattices are composed of a set of masses connected by linear axial and angular springs, with the nonlinearity arising solely from geometric effects. By applying different levels of pre-load, the small amplitude linear wave propagation response can be varied from isotropic to highly directional. Analytical expressions for the stiffness of a unit cell in the deformed configuration are derived and they are used to analyze the dispersion surfaces and group velocity variation with pre-load. Numerical simulations on finite lattices demonstrate the validity of our unit cell predictions and illustrate the wave steering potential of our lattice.
Dust Lattice Waves in Two-Dimensional Hexagonal Dust Crystals with an External Magnetic Field
Farokhi, B.; Shahmansouri, M.
2008-09-07
The influence of a constant magnetic field on the propagation of dust-lattice (DL) modes in a two-dimensional hexagonal strongly coupled plasma crystal formed by paramagnetic particles is considered. The expression for the wave dispersion relation clearly shows that high-frequency and low-frequency branches exist as a result of the coupling of longitudinal and transverse modes due to the Lorentz force acting on the dust particles.
Single pentagon in a hexagonal carbon lattice revealed by scanning tunneling microscopy
An, B.; Fukuyama, S.; Yokogawa, K.; Yoshimura, M.; Egashira, M.; Korai, Y.; Mochida, I.
2001-06-04
The electronic structure of a single pentagon in a hexagonal carbon lattice has been revealed on an atomic scale by scanning tunneling microscopy. The pentagon is located at the apex of the conical protuberance of the graphitic particle. The enhanced charge density localized at each carbon atom in the pentagon is identified, and the ringlike pattern of the ({radical}3{times}{radical}3)R30{degree} superstructure of graphite is clearly observed around the pentagon. {copyright} 2001 American Institute of Physics.
NASA Astrophysics Data System (ADS)
Alexandrov, Y. V.; Batanova, A. A.; Gladkova, E. V.; Dyshlovenko, P. E.; Nagatkin, A. N.; Nizametdinov, A. F.
2016-02-01
Two-dimensional charge-stabilized colloidal crystal with a hexagonal crystal lattice and constant electric potential on the particles is studied numerically. The properties of the crystal are described by the theory based on the Poisson-Boltzmann non-linear differential equation. The force constants and the equilibrium pressure in the crystals are calculated for a broad range of the lattice parameters. The numerical procedures of the force constant and pressure determination is briefly described. Elastic constants of the first and second order are also calculated on the base of the force constants to obtain information about the many-body effective interactions in the system. It was shown that the Cauchy relation between the elastic constants breaks down in the whole range of the lattice parameter especially at higher densities. This can be interpreted as an effect of the many-body effective interaction between the particles in the crystal.
Nematic Liquid Crystal on a Two Dimensional Hexagonal Lattice and its Application
Arslan Shehzad, Muhammad; Hoang Tien, Dung; Waqas Iqbal, M; Eom, Jonghwa; Park, J. H.; Hwang, Chanyong; Seo, Yongho
2015-01-01
We have studied the alignment of liquid crystal adsorbed onto graphene and hexagonal boron nitride by using a polarized optical microscope. From the experimental data, it was found that there were 6 different alignment orientations of the liquid crystal molecules on a single crystal substrate. This result has never been reported and is quite different from other previous results. As the hexagonal lattice has a threefold rotational symmetry, three different alignment orientations were expected, but our result seems counter-intuitive. We explain this result considering the bending of the tail of the liquid crystal molecules. Using this anchoring effect with six accurate discrete angles, a novel non-volatile display can be developed with micron-scale pixel size, due to the molecular level accuracy of the alignment. PMID:26290037
Nematic Liquid Crystal on a Two Dimensional Hexagonal Lattice and its Application
NASA Astrophysics Data System (ADS)
Arslan Shehzad, Muhammad; Hoang Tien, Dung; Waqas Iqbal, M.; Eom, Jonghwa; Park, J. H.; Hwang, Chanyong; Seo, Yongho
2015-08-01
We have studied the alignment of liquid crystal adsorbed onto graphene and hexagonal boron nitride by using a polarized optical microscope. From the experimental data, it was found that there were 6 different alignment orientations of the liquid crystal molecules on a single crystal substrate. This result has never been reported and is quite different from other previous results. As the hexagonal lattice has a threefold rotational symmetry, three different alignment orientations were expected, but our result seems counter-intuitive. We explain this result considering the bending of the tail of the liquid crystal molecules. Using this anchoring effect with six accurate discrete angles, a novel non-volatile display can be developed with micron-scale pixel size, due to the molecular level accuracy of the alignment.
Devil's staircase in a quantum dimer model on the hexagonal lattice
NASA Astrophysics Data System (ADS)
Barthel, Thomas; Misguich, Grégoire; Schlittler, Thiago M.; Vidal, Julien; Mosseri, Rémy
Quantum dimer models appear in different contexts when describing dynamics in constrained low-energy manifolds, such as for frustrated Ising models in weak transverse fields. In this talk, I address a particularly interesting case, where a quantum dimer model on the hexagonal lattice, in addition to the standard Rokhsar-Kivelson Hamiltonian, includes a competing potential term, counting dimer-free hexagons. It has a rich zero-temperature phase diagram that comprises a cascade of rapidly changing flux quantum numbers (tilt in the height language). This cascade is partially of fractal nature and the model provides, in particular, a microscopic realization of the ``devil's staircase'' scenario [E. Fradkin et al. Phys. Rev. B 69, 224415 (2004)]. We have studied the system by means of quantum Monte-Carlo simulations and the results can be explained using perturbation theory, RG, and variational arguments.References: arXiv:1507.04643, arXiv:1501.02242.
Phase Diagram of an Extended Quantum Dimer Model on the Hexagonal Lattice
NASA Astrophysics Data System (ADS)
Schlittler, Thiago; Barthel, Thomas; Misguich, Grégoire; Vidal, Julien; Mosseri, Rémy
2015-11-01
We introduce a quantum dimer model on the hexagonal lattice that, in addition to the standard three-dimer kinetic and potential terms, includes a competing potential part counting dimer-free hexagons. The zero-temperature phase diagram is studied by means of quantum Monte Carlo simulations, supplemented by variational arguments. It reveals some new crystalline phases and a cascade of transitions with rapidly changing flux (tilt in the height language). We analyze perturbatively the vicinity of the Rokhsar-Kivelson point, showing that this model has the microscopic ingredients needed for the "devil's staircase" scenario [Eduardo Fradkin et al. Phys. Rev. B 69, 224415 (2004)], and is therefore expected to produce fractal variations of the ground-state flux.
Nematic Liquid Crystal on a Two Dimensional Hexagonal Lattice and its Application.
Arslan Shehzad, Muhammad; Hoang Tien, Dung; Waqas Iqbal, M; Eom, Jonghwa; Park, J H; Hwang, Chanyong; Seo, Yongho
2015-01-01
We have studied the alignment of liquid crystal adsorbed onto graphene and hexagonal boron nitride by using a polarized optical microscope. From the experimental data, it was found that there were 6 different alignment orientations of the liquid crystal molecules on a single crystal substrate. This result has never been reported and is quite different from other previous results. As the hexagonal lattice has a threefold rotational symmetry, three different alignment orientations were expected, but our result seems counter-intuitive. We explain this result considering the bending of the tail of the liquid crystal molecules. Using this anchoring effect with six accurate discrete angles, a novel non-volatile display can be developed with micron-scale pixel size, due to the molecular level accuracy of the alignment. PMID:26290037
Magnetic structure and resonance properties of a hexagonal lattice of antidots
NASA Astrophysics Data System (ADS)
Marchenko, A. I.; Krivoruchko, V. N.
2012-02-01
Static and resonance properties of ferromagnetic films with a hexagonal lattice of antidots (pores in the film) were studied. The description of the system is based on micromagnetic modeling and analytical solutions of the Landau-Lifshitz equation. The dependences of ferromagnetic resonance spectra on the in-plane direction of applied magnetic field and on the lattice parameters were investigated. The nature of the dependences of a dynamic system response on the frequency at fixed magnetic fields and on the field at fixed frequency when the field changes were explored. They cause the static magnetic order to change. It was found that the specific peculiarities of the system dynamics remain unchanged for both of these experimental conditions. Namely, for low damping the resonance spectra contain three quasi-homogeneous modes which are due to the resonance of different regions (domains) of the antidot lattice cell. It is shown that the angular field dependences of each mode are characterized by a twofold symmetry, and the related easy axes are mutually rotated by 60 °. As a result, a hexagonal symmetry of the system's static and dynamic magnetic characteristics is realized. The existence in the resonance spectrum of several quasi-homogeneous modes related to different regions of the unit cell could be fundamental for the function of the working elements of magnonics devices.
Multi-component quantum gases in spin-dependent hexagonal lattices
NASA Astrophysics Data System (ADS)
Soltan-Panahi, P.; Struck, J.; Hauke, P.; Bick, A.; Plenkers, W.; Meineke, G.; Becker, C.; Windpassinger, P.; Lewenstein, M.; Sengstock, K.
2011-05-01
In solid-state materials, the static and dynamic properties as well as the magnetic and electronic characteristics are crucially influenced by the crystal symmetry. Hexagonal structures play a particularly important role and lead to novel physics, such as that of carbon nanotubes or graphene. Here we report on the realization of ultracold atoms in a spin-dependent optical lattice with hexagonal symmetry. We show how the combined effects of the lattice and interactions between atoms lead to a forced antiferromagnetic Néel order when two spin-components localize at different lattice sites. We also demonstrate that the coexistence of two components--one Mott-insulating and the other one superfluid--leads to an interaction-induced modulation of the superfluid density, which is observed spectroscopically. Our studies reveal the vast impact of the interaction-induced modulation on the superfluid-to-Mott-insulator transition. The observations are consistent with theoretical predictions using Gutzwiller mean-field theory.
Conical wave propagation and diffraction in two-dimensional hexagonally packed granular lattices
NASA Astrophysics Data System (ADS)
Chong, C.; Kevrekidis, P. G.; Ablowitz, M. J.; Ma, Yi-Ping
2016-01-01
Linear and nonlinear mechanisms for conical wave propagation in two-dimensional lattices are explored in the realm of phononic crystals. As a prototypical example, a statically compressed granular lattice of spherical particles arranged in a hexagonal packing configuration is analyzed. Upon identifying the dispersion relation of the underlying linear problem, the resulting diffraction properties are considered. Analysis both via a heuristic argument for the linear propagation of a wave packet and via asymptotic analysis leading to the derivation of a Dirac system suggests the occurrence of conical diffraction. This analysis is valid for strong precompression, i.e., near the linear regime. For weak precompression, conical wave propagation is still possible, but the resulting expanding circular wave front is of a nonoscillatory nature, resulting from the complex interplay among the discreteness, nonlinearity, and geometry of the packing. The transition between these two types of propagation is explored.
Conical wave propagation and diffraction in two-dimensional hexagonally packed granular lattices
Chong, C.; Kevrekidis, P. G.; Ablowitz, M. J.; Ma, Yi-Ping
2016-01-25
We explore linear and nonlinear mechanisms for conical wave propagation in two-dimensional lattices in the realm of phononic crystals. As a prototypical example, a statically compressed granular lattice of spherical particles arranged in a hexagonal packing configuration is analyzed. Upon identifying the dispersion relation of the underlying linear problem, the resulting diffraction properties are considered. Analysis both via a heuristic argument for the linear propagation of a wave packet and via asymptotic analysis leading to the derivation of a Dirac system suggests the occurrence of conical diffraction. This analysis is valid for strong precompression, i.e., near the linear regime. Formore » weak precompression, conical wave propagation is still possible, but the resulting expanding circular wave front is of a nonoscillatory nature, resulting from the complex interplay among the discreteness, nonlinearity, and geometry of the packing. Lastly, the transition between these two types of propagation is explored.« less
Hexagonal RMnO3: a model system for two-dimensional triangular lattice antiferromagnets.
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
2D photonic crystals on the Archimedean lattices (tribute to Johannes Kepler (1571 1630))
NASA Astrophysics Data System (ADS)
Gajić, R.; class="cross-out">D. Jovanović,
2008-03-01
Results of our research on 2D Archemedean lattice photonic crystals are presented. This involves the calculations of the band structures, band-gap maps, equifrequency contours and FDTD simulations of electromagnetic propagation through the structures as well as an experimental verification of negative refraction at microwaves. The band-gap dependence on dielectric contrast is established both for dielectric rods in air and air-holes in dielectric materials. A special emphasis is placed on possibilities of negative refraction and left-handedness in these structures. Together with the familiar Archimedean lattices like square, triangular, honeycomb and Kagome' ones, we consider also, the less known, (3 2, 4, 3, 4) (ladybug) and (3, 4, 6, 4) (honeycomb-ring) structures.
Light trapping at Dirac point in 2D triangular Archimedean-like lattice photonic crystal.
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
NASA Astrophysics Data System (ADS)
Zeller, Patrick; Günther, Sebastian
2014-08-01
We present a systematic investigation of two coinciding lattices and their spatial beating frequencies that lead to the formation of moiré patterns. A mathematical model was developed and applied for the case of a hexagonally arranged adsorbate on a hexagonal support lattice. In particular, it describes the moiré patterns observed for graphene grown on a hexagonally arranged transition metal surface, a system that serves as one of the promising synthesis routes for the formation of this highly wanted material. The presented model uses a geometric construction that derives analytic expressions for first and higher order beating frequencies occurring for arbitrarily oriented graphene on the underlying substrate lattice. By solving the corresponding equations, we predict the size and orientation of the resulting moiré pattern. Adding the constraints for commensurability delivers further solvable analytic equations that predict whether or not first or higher order commensurable phases occur. We explicitly treat the case for first, second and third order commensurable phases. The universality of our approach is tested by comparing our data with moiré patterns that are experimentally observed for graphene on Ir(111) and on Pt(111). Our analysis can be applied for graphene, hexagonal boron nitride (h-BN), or other sp2-networks grown on any hexagonally packed support surface predicting the size, orientation and properties of the resulting moiré patterns. In particular, we can determine which commensurate phases are expected for these systems. The derived information can be used to critically discuss the moiré phases reported in the literature.
Exact ground state for the four-electron problem in a 2D finite honeycomb lattice
NASA Astrophysics Data System (ADS)
Trencsényi, Réka; Glukhov, Konstantin; Gulácsi, Zsolt
2014-07-01
Working in a subspace with dimensionality much smaller than the dimension of the full Hilbert space, we deduce exact four-particle ground states in 2D samples containing hexagonal repeat units and described by Hubbard type of models. The procedure identifies first a small subspace ? in which the ground state ? is placed, than deduces ? by exact diagonalization in ?. The small subspace is obtained by the repeated application of the Hamiltonian ? on a carefully chosen starting wave vector describing the most interacting particle configuration, and the wave vectors resulting from the application of ?, till the obtained system of equations closes in itself. The procedure which can be applied in principle at fixed but arbitrary system size and number of particles is interesting on its own since it provides exact information for the numerical approximation techniques which use a similar strategy, but apply non-complete basis for ?. The diagonalization inside ? provides an incomplete image of the low lying part of the excitation spectrum, but provides the exact ?. Once the exact ground state is obtained, its properties can be easily analysed. The ? is found always as a singlet state whose energy, interestingly, saturates in the ? limit. The unapproximated results show that the emergence probabilities of different particle configurations in the ground state presents 'Zittern' (trembling) characteristics which are absent in 2D square Hubbard systems. Consequently, the manifestation of the local Coulomb repulsion in 2D square and honeycomb types of systems presents differences, which can be a real source in the differences in the many-body behaviour.
Analysis of the antiferromagnetic phase transitions of the 2D Kondo lattice
NASA Astrophysics Data System (ADS)
Jones, Barbara
2010-03-01
The Kondo lattice continues to present an interesting and relevant challenge, with its interactions between Kondo, RKKY, and coherent order. We present our study[1] of the antiferromagnetic quantum phase transitions of a 2D Kondo-Heisenberg square lattice. Starting from the nonlinear sigma model as a model of antiferromagnetism, we carry out a renormalization group analysis of the competing Kondo-RKKY interaction to one-loop order in an ɛ-expansion. We find a new quantum critical point (QCP) strongly affected by Kondo fluctuations. Near this QCP, there is a breakdown of hydrodynamic behavior, and the spin waves are logarithmically frozen out. The renormalization group results allow us to propose a new phase diagram near the antiferromagnetic fixed point of this 2D Kondo lattice model. The T=0 phase diagram contains four phases separated by a tetracritical point, the new QCP. For small spin fluctuations, we find a stable local magnetic moment antiferromagnet. For stronger coupling, region II is a metallic quantum disordered paramagnet. We find in region III a paramagnetic phase driven by Kondo interactions, with possible ground states of a heavy fermion liquid or a Kondo driven spin-liquid. The fourth phase is a spiral phase, or a large-Fermi-surface antiferromagnetic phase. We will describe these phases in more detail, including possible experimental confirmation of the spiral phase. The existence of the tetracritical point found here would be expected to affect the phase diagram at finite temperatures as well. In addition, It is hoped that these results, and particularly the Kondo interaction paramagnetic phase, will serve to bridge to solutions starting from the opposite limit, of a Kondo effect leading to a heavy fermion ground state. Work in collaboration with T. Tzen Ong. [4pt] [1] T. Ong and B. A. Jones, Phys. Rev. Lett. 103, 066405 (2009).
Identifying topological edge states in 2D optical lattices using light scattering
NASA Astrophysics Data System (ADS)
Goldman, Nathan; Beugnon, Jérôme; Gerbier, Fabrice
2013-02-01
We recently proposed in a Letter [Phys. Rev. Lett. 108, 255303] a novel scheme to detect topological edge states in an optical lattice, based on a generalization of Bragg spectroscopy. The scope of the present article is to provide a more detailed and pedagogical description of the system - the Hofstadter optical lattice - and probing method. We first show the existence of topological edge states, in an ultra-cold gas trapped in a 2D optical lattice and subjected to a synthetic magnetic field. The remarkable robustness of the edge states is verified for a variety of external confining potentials. Then, we describe a specific laser probe, made from two lasers in Laguerre-Gaussian modes, which captures unambiguous signatures of these edge states. In particular, the resulting Bragg spectra provide the dispersion relation of the edge states, establishing their chiral nature. In order to make the Bragg signal experimentally detectable, we introduce a "shelving method", which simultaneously transfers angular momentum and changes the internal atomic state. This scheme allows to directly visualize the selected edge states on a dark background, offering an instructive view on topological insulating phases, not accessible in solid-state experiments.
Size dependence of bandgaps in a two-dimensional plasmonic crystal with a hexagonal lattice.
Saito, Hikaru; Yamamoto, Naoki
2015-02-01
The optical properties of surface plasmon polaritons (SPPs) are investigated at the Г point in a two-dimensional plasmonic crystal with a hexagonal lattice (Hex-PlC). The cathodoluminescence (CL) technique combined with a scanning transmission electron microscope (STEM) are used to produce spectral images of the SPP standing waves at the Г point and identify the four types of band-edge modes predicted by group theory. The systematic measurement of the band-edge energies employed here is used to determine the characteristic dependence of each band-edge mode on the structure parameters, which provides some criteria for the design of plasmonic devices with Hex-PlCs. PMID:25836118
Chiral phonons at high-symmetry points in monolayer hexagonal lattices.
Zhang, Lifa; Niu, Qian
2015-09-11
In monolayer hexagonal lattices, the intravalley and intervalley scattering of electrons can involve chiral phonons at Brillouin-zone center and corners, respectively. At these high-symmetry points, there is a threefold rotational symmetry endowing phonon eigenmodes with a quantized pseudoangular momentum, which includes orbital and spin parts. Conservation of pseudoangular momentum yields selection rules for intravalley and intervalley scattering of electrons by phonons. Concrete predictions of helicity-resolved optical phenomena are made on monolayer molybdenum disulfide. The chiral phonons at Brillouin-zone corners excited by polarized photons can be detected by a valley phonon Hall effect. The chiral phonons, together with phonon circular polarization, phonon pseudoangular momentum, selection rules, and valley phonon Hall effect will extend the basis for valley-based electronics and phononics applications in the future. PMID:26406841
Chiral Phonons at High-Symmetry Points in Monolayer Hexagonal Lattices
NASA Astrophysics Data System (ADS)
Zhang, Lifa; Niu, Qian
2015-09-01
In monolayer hexagonal lattices, the intravalley and intervalley scattering of electrons can involve chiral phonons at Brillouin-zone center and corners, respectively. At these high-symmetry points, there is a threefold rotational symmetry endowing phonon eigenmodes with a quantized pseudoangular momentum, which includes orbital and spin parts. Conservation of pseudoangular momentum yields selection rules for intravalley and intervalley scattering of electrons by phonons. Concrete predictions of helicity-resolved optical phenomena are made on monolayer molybdenum disulfide. The chiral phonons at Brillouin-zone corners excited by polarized photons can be detected by a valley phonon Hall effect. The chiral phonons, together with phonon circular polarization, phonon pseudoangular momentum, selection rules, and valley phonon Hall effect will extend the basis for valley-based electronics and phononics applications in the future.
Validation of KENO-VI: A comparison with hexagonal lattice light-water-reactor critical experiments
Lichtenwalter, J.J.
1998-06-01
The KENO-VI Monte Carlo code, released with Version 4.3 of the SCALE Code System, provides the capability to model more complex geometries than previously allowed by KENO-V.a. One significant improvement is the simplistic specification of hexprism unit cells and hexagonal arrays, an arduous task to complete in KENO-V.a. This report documents the validation of KENO-VI against 30 critical experiments consisting of low enriched uranium, light water reactor (LWR) fuel rods in hexagonal lattices with no poisons. The reference, enrichment, pitch, cladding, and core identification of the experiments are given. The results indicate that KENO-VI accurately calculates these critical experiments, with a bias of {minus}0.51% for the 238 group cross section library and {minus}0.24% for the 44 group cross section library. If these biases are properly taken into account, the KENO-VI code can be used with confidence for the design and safety analysis of storage and transportation systems of similar LWR type fuels.
NASA Astrophysics Data System (ADS)
Rodrigues, Clóves G.
2016-06-01
In this work we investigate the interatomic correlation moments in two-dimensional model of a weakly anharmonic crystal (i.e., not very high temperatures) with hexagonal lattice, using the Correlative Method of Unsymmetrized Self-Consistent Field (CUSF). The numerical results are obtained (and compared) by using the Morse and Lenard-Jones potentials.
Two-dimensional XXZ -Ising model on a square-hexagon lattice
NASA Astrophysics Data System (ADS)
Valverde, J. S.; Rojas, Onofre; de Souza, S. M.
2009-04-01
We study a two-dimensional XXZ -Ising model on a square-hexagon (denoted for simplicity by 4-6) lattice with spin 1/2. The phase diagram at zero temperature is discussed, where five states are found, two types of ferrimagnetic states, two types of antiferromagnetic states, and one ferromagnetic state. To solve this model, we have mapped onto the eight-vertex model with union Jack interaction term, and it was verified that the model cannot be completely mapped onto eight-vertex model. However, by imposing an exact solution condition, we have found the region where the XXZ -Ising model on 4-6 lattice is exactly soluble with one free parameter, particularly for the case of symmetric eight-vertex model condition. In this manner we have explored the properties of the system and have analyzed the interacting competition parameters which preserve the region where there is an exact solution. Unfortunately the present model does not satisfy the free fermion condition of the eight-vertex model, unless for a trivial solution. Even so, we are able to discuss the critical point region, beyond the region of exact resolvability.
NASA Astrophysics Data System (ADS)
Leconte, Nicolas; Martinez-Gordillo, Rafael; MacDonald, Allan; Jung, Jeil
Clear signatures of the Hofstadter butterfly have been experimentally observed in graphene on hexagonal boron nitride (G/BN), thanks to an appropriate balance between the length scale and the quality of the moiré superlattices. During this talk, I will present a methodology to map the continuum moiré pattern of incommensurable G/BN crystals obtained from ab initio calculations onto supercell lattice tight-binding Hamiltonians. Using efficient Lanczos recursion techniques for simulating large scale systems containing millions of atoms, the density of states and the dc conductivity are obtained as a function of energy or carrier density and magnetic field. The calculated Hofstadter butterflies and Landau fan diagrams show that the site potential variations, the mass, and substantial virtual strain contributions that appear even in the absence of real strains in the band Hamiltonian sensitively affect the electron-hole asymmetry, the gaps at the secondary Dirac points, as well as the tertiary features that appear at high-carrier densities.
Study on hexagonal super-lattice pattern with surface discharges in dielectric barrier discharge
Liu, Ying; Dong, Lifang Niu, Xuejiao; Gao, Yenan; Zhang, Chao
2015-10-15
The hexagonal super-lattice pattern with surface discharges (SDs) in dielectric barrier discharge is investigated by intensified charge-coupled device. The pattern is composed of the bright spot and the dim spot which is located at the centroid of surrounding other three bright spots. The phase diagram of the pattern as a function of the gas pressure and the argon concentration is given. The instantaneous images indicate that the bright spot emerging at the front of the current pulse is formed by the volume discharge (VD), and dim spot occurring at the tail of the current pulse is formed by the SD. The above result shows that the SD is induced by the VD. The simulation of the electric fields of wall charges accumulated by VDs confirms that the dim spot is formed by the confluences of the SDs of surrounding other three bright spots. By using optical emission spectrum method, both the molecule vibration temperature and electron density of the SD are larger than that of the VD.
Study on hexagonal super-lattice pattern with surface discharges in dielectric barrier discharge
NASA Astrophysics Data System (ADS)
Liu, Ying; Dong, Lifang; Niu, Xuejiao; Gao, Yenan; Zhang, Chao
2015-10-01
The hexagonal super-lattice pattern with surface discharges (SDs) in dielectric barrier discharge is investigated by intensified charge-coupled device. The pattern is composed of the bright spot and the dim spot which is located at the centroid of surrounding other three bright spots. The phase diagram of the pattern as a function of the gas pressure and the argon concentration is given. The instantaneous images indicate that the bright spot emerging at the front of the current pulse is formed by the volume discharge (VD), and dim spot occurring at the tail of the current pulse is formed by the SD. The above result shows that the SD is induced by the VD. The simulation of the electric fields of wall charges accumulated by VDs confirms that the dim spot is formed by the confluences of the SDs of surrounding other three bright spots. By using optical emission spectrum method, both the molecule vibration temperature and electron density of the SD are larger than that of the VD.
Lattice Boltzmann simulations of 2D laminar flows past two tandem cylinders
NASA Astrophysics Data System (ADS)
Mussa, Alberto; Asinari, Pietro; Luo, Li-Shi
2009-03-01
We apply the lattice Boltzmann equation (LBE) with multiple-relaxation-time (MRT) collision model to simulate laminar flows in two-dimensions (2D). In order to simulate flows in an unbounded domain with the LBE method, we need to address two issues: stretched non-uniform mesh and inflow and outflow boundary conditions. We use the interpolated grid stretching method to address the need of non-uniform mesh. We demonstrate that various inflow and outflow boundary conditions can be easily and consistently realized with the MRT-LBE. The MRT-LBE with non-uniform stretched grids is first validated with a number of test cases: the Poiseuille flow, the flow past a cylinder asymmetrically placed in a channel, and the flow past a cylinder in an unbounded domain. We use the LBE method to simulate the flow past two tandem cylinders in an unbounded domain with Re = 100. Our results agree well with existing ones. Through this work we demonstrate the effectiveness of the MRT-LBE method with grid stretching.
NASA Astrophysics Data System (ADS)
Villalobos, Gabriel; Linero, Dorian L.; Muñoz, José D.
2011-01-01
A 2D, hexagonal in geometry, statistical model of fracture is proposed. The model is based on the drying fracture process of the bamboo Guadua angustifolia. A network of flexible cells are joined by brittle junctures of fixed Young moduli that break at a certain thresholds in tensile force. The system is solved by means of the Finite Element Method (FEM). The distribution of avalanche breakings exhibits a power law with exponent -2.93(9), in agreement with the random fuse model (Bhattacharyya and Chakrabarti, 2006) [1].
NASA Astrophysics Data System (ADS)
Guillamon, I.; Vieira, S.; Suderow, H.; Cordoba, R.; Sese, J.; de Teresa, J. M.; Ibarra, R.
In two dimensional (2D) systems, theory has proposed that random disorder destroys long range correlations driving a transition to a glassy state. Here, I will discuss new insights into this issue obtained through the direct visualization of the critical behaviour of a 2D superconducting vortex lattice formed in a thin film with a smooth 1D thickness modulation. Using scanning tunneling microscopy at 0.1K, we have tracked the modification in the 2D vortex arrangements induced by the 1D thickness modulation while increasing the vortex density by three orders of magnitude. Upon increasing the field, we observed a two-step order-disorder transition in the 2D vortex lattice mediated by the appearance of dislocations and disclinations and accompanied by an increase in the local vortex density fluctuations. Through a detailed analysis of correlation functions, we find that the transition is driven by the incommensurate 1D thickness modulation. We calculate the critical points and exponents and find that they are well above theoretical expectation for random disorder. Our results show that long range 1D correlations in random potentials enhance the stability range of the ordered phase in a 2D vortex lattice. Work supported by Spanish MINECO, CIG Marie Curie Grant, Axa Research Fund and FBBVA.
Orso, G.; Stringari, S.; Menotti, C.
2006-11-10
We use Bogoliubov theory to calculate the beyond mean field correction to the equation of state of a weakly interacting Bose gas in the presence of a tight 2D optical lattice. We show that the lattice induces a characteristic 3D to 1D crossover in the behavior of quantum fluctuations. Using the hydrodynamic theory of superfluids, we calculate the corresponding shift of the collective frequencies of a harmonically trapped gas. We find that this correction can be of the order of a few percent and hence easily measurable in current experiments. The behavior of the quantum depletion of the condensate is also discussed.
NASA Astrophysics Data System (ADS)
Gräfe, Joachim; Weigand, Markus; Stahl, Claudia; Träger, Nick; Kopp, Michael; Schütz, Gisela; Goering, Eberhard J.; Haering, Felix; Ziemann, Paul; Wiedwald, Ulf
2016-01-01
The magnetization reversal in nanoscaled antidot lattices is widely investigated to understand the tunability of the magnetic anisotropy and the coercive field through nanostructuring of thin films. By investigating highly ordered focused ion beam milled antidot lattices with a combination of first-order reversal curves and magnetic x-ray microscopy, we fully elucidate the magnetization reversal along the distinct orientations of a hexagonal antidot lattice. This combination proves especially powerful as all partial steps of this complex magnetization reversal can be identified and subsequently imaged. Through this approach we discovered several additional steps that were neglected in previous studies. Furthermore, by imaging the microscopic magnetization state during each reversal step, we were able to link the coercive and interaction fields determined by the first-order reversal curve method to true microscopic magnetization configurations and determine their origin.
Jollet, Véronique; Albela, Belén; Sénéchal-David, Katell; Jégou, Pascale; Kolodziej, Emilie; Sainton, Joëlle; Bonneviot, Laurent; Banse, Frédéric
2013-08-28
A mixed amine pyridine polydentate Fe(II) complex was covalently tethered in hexagonal mesoporous silica of the MCM-41 type. Metal site isolation was generated using adsorbed tetramethylammonium cations acting as a patterned silanol protecting mask and trimethylsilylazane as a capping agent. Then, the amine/pyridine ligand bearing a tethering triethoxysilane group was either grafted to such a pretreated silica surface prior to or after complexation to Fe(II). These two synthetic routes, denoted as two-step and one-step, respectively, were also applied to fumed silica for comparison, except that the silanol groups were capped after tethering the metal unit. The coordination of the targeted complex was monitored using UV-visible spectrophotometry and, according to XPS, the best control was achieved inside the channels of the mesoporous silica for the two-step route. For the solid prepared according to the one-step route, tethering of the complex occurred mainly at the entrance of the channel. PMID:23824307
NASA Astrophysics Data System (ADS)
Volčko, Dušan; Quader, Khandker F.
2012-12-01
We consider fermions on a 2D square lattice with a finite-range pairing interaction, and obtain signatures for unconventional pair-symmetry states, dx2-y2 and extended-s (s*), in the Bardeen-Cooper-Schrieffer-Bose-Einstein Condensation crossover region. We find that the fermion momentum distribution function, vk2, the ratio of the Bogoliubov coefficients, vk/uk, and the Fourier transform of vk2 are strikingly different for d and s* symmetries in the crossover region. The chemical potential and the gap functions for both pairing symmetries show several interesting features as a function of interaction. Fermionic atoms in 2D optical lattices may provide a way to test these signatures. We discuss current generation cold atom experiments that may be utilized.
Zharova, Yu. A. Fedulova, G. V.; Astrova, E. V.; Baldycheva, A. V.; Tolmachev, V. A.; Perova, T. S.
2011-08-15
Design and fabrication technology of a microcavity structure based on a double heterojunction in macroporous silicon is suggested. The fabrication process of a strip of a 2D photonic crystal constituted by a finite number of lattice periods and the technique for defect formation by local opening of macropores on the substrate side, followed by filling of these macropores with a nematic liquid crystal, are considered.
NASA Technical Reports Server (NTRS)
Pogorzelski, Ronald J.
2004-01-01
When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.
Chemseddine, A. Bloeck, U.
2008-10-15
The structure and structural evolution of tungstic acid solutions, sols and gels are investigated by high-resolution electron microscopy (HRTEM). Acidification of sodium tungstate solutions, through a proton exchange resin, is achieved in a way that ensures homogeneity in size and shape of intermediate polytungstic species. Gelation is shown to involve polycondensation followed by a self-assembling process of polytungstic building blocks leading to sheets with a layered hexagonal structure. Single layers of this new metastable phase are composed of three-, four- and six-membered rings of WO{sub 6} octahedra located in the same plane. This is the first time that a 2D oxide crystal is isolated and observed by direct atomic resolution. Further ageing and structural evolution leading to single sheets of 2D ReO{sub 3}-type structure is directly observed by HRTEM. Based on this atomic level imaging, a model for the formation of the oxide network structure involving a self-assembling process of tritungstic based polymeric chain is proposed. The presence of tritungstic groups and their packing in electrochromic WO{sub 3} films made by different techniques is discussed. - Graphical abstract: From the isopolyanion to the extended bulk tungsten oxide: HRTEM imaging.
Anomalous giant piezoresistance in AlAs 2D electron systems with antidot lattices.
Gunawan, O; Gokmen, T; Shkolnikov, Y P; De Poortere, E P; Shayegan, M
2008-01-25
An AlAs two-dimensional electron system patterned with an antidot lattice exhibits a giant piezoresistance effect at low temperatures, with a sign opposite to the piezoresistance observed in the unpatterned region. We suggest that the origin of this anomalous giant piezoresistance is the nonuniform strain in the antidot lattice and the exclusion of electrons occupying the two conduction-band valleys from different regions of the sample. This is analogous to the well-known giant magnetoresistance effect, with valley playing the role of spin and strain the role of magnetic field. PMID:18233015
NASA Astrophysics Data System (ADS)
Sharma, Basant Lal
2015-12-01
Diffraction problems, associated with waves scattered by a semi-infinite crack and rigid constraint, in a hexagonal (honeycomb) lattice model, with nearest neighbor interactions, are solved exactly using the method of Wiener and Hopf. Asymptotic expressions for the scattered waves in far field are provided for both problems, by application of the method of stationary phase to corresponding diffraction integrals. Additionally, for the crack diffraction problem, bond lengths on the semi-infinite row complementing the crack, as well as the crack opening displacement, are provided in closed form except for the presence of concomitant Fourier coefficients of the Wiener-Hopf kernel. For the rigid constraint diffraction problem, the solution on the semi-infinite row complementing the constrained lattice sites, as well as that adjacent to the constrained row, are provided in similar closed form. The amplitude, as well as phase, of waves in far field is compared, through graphical plots, with that of a numerical solution on finite grid. Also, the analytical solution for few sites near the tip of each defect is compared with numerical solution. Both discrete Sommerfeld diffraction problems and their solutions are also relevant to numerical solution of the two-dimensional Helmholtz equation using a 4-point hexagonal grid, besides having applications inherent to the scattering of waves on a honeycomb structure.
Microscopy of a Quantum Gas in a 2D Optical Lattice
NASA Astrophysics Data System (ADS)
Bakr, Waseem; Peng, Amy; Tai, Ming; Ma, Ruichao; Jotzu, Gregor; Gillen, Jonathon; Foelling, Simon; Greiner, Markus
2010-03-01
Ultracold quantum gases in optical lattices provide a rich experimental toolbox for simulating the physics of condensed matter systems. With atoms in the lattice playing the role of electrons or Cooper pairs in real materials, it is possible to experimentally realize condensed matter Hamiltonians in a controlled way. To realize the full potential of such quantum simulations, we have created a quantum gas microscope (NA = 0.8) which can spatially resolve the atoms in the optical lattice at the single site level, and project arbitrary potential landscapes onto the atoms by combining the high resolution optics with static holographic masks or a spatial light modulator. The high resolution microscope operates with the atoms trapped in a two dimensional optical lattice at a distance of 10 microns from a glass surface that is part of the microscope. We have experimentally verified a resolution of ˜ 600 nm, providing the capability to study the phase diagram of the Bose Hubbard model by measuring occupation number at individual sites.
Lattice Boltzmann methods for some 2-D nonlinear diffusion equations:Computational results
Elton, B.H.; Rodrigue, G.H. . Dept. of Applied Science Lawrence Livermore National Lab., CA ); Levermore, C.D. . Dept. of Mathematics)
1990-01-01
In this paper we examine two lattice Boltzmann methods (that are a derivative of lattice gas methods) for computing solutions to two two-dimensional nonlinear diffusion equations of the form {partial derivative}/{partial derivative}t u = v ({partial derivative}/{partial derivative}x D(u){partial derivative}/{partial derivative}x u + {partial derivative}/{partial derivative}y D(u){partial derivative}/{partial derivative}y u), where u = u({rvec x},t), {rvec x} {element of} R{sup 2}, v is a constant, and D(u) is a nonlinear term that arises from a Chapman-Enskog asymptotic expansion. In particular, we provide computational evidence supporting recent results showing that the methods are second order convergent (in the L{sub 1}-norm), conservative, conditionally monotone finite difference methods. Solutions computed via the lattice Boltzmann methods are compared with those computed by other explicit, second order, conservative, monotone finite difference methods. Results are reported for both the L{sub 1}- and L{sub {infinity}}-norms.
Buckling in 2D periodic, soft and porous structures: effect of pore shape and lattice pattern
NASA Astrophysics Data System (ADS)
Shan, Sicong; Bertoldi, Katia; Shim, Jongmin; Overvelde, Johannes T. B.; Kang, Sung Hoon
2013-03-01
Adaptive structures allowing dramatic shape changes offer unique opportunities for the design of responsive and reconfigurable devices. Traditional morphing and foldable structures with stiff structural members and mechanical joints remains a challenge in manufacturing at small length scales. Soft structures where the folding mechanisms are induced by a mechanical instability represent a new class of novel adaptive materials which can be easily manufactured over a wide range of length scales. More specifically, soft porous structures with deliberately designed patterns can significantly change their architecture in response to diverse stimuli, opening avenues for reconfigurable devices that change their shapes to respond to their environment. While so far only two-dimensional periodic porous structures with circular holes arranged on a square or triangular lattice have been investigated, here we investigate both numerically and experimentally the effects of pore shape and lattice pattern on the macroscopic properties of the structures. Our results show that both the pore shape and lattice pattern can be used to effectively design desired materials and pave the way for the development of a new class of soft, active and reconfigurable devices over a wide range of length scales.
Algebraic rings of integers and some 2D lattice problems in physics
NASA Astrophysics Data System (ADS)
Nanxian, Chen; Zhaodou, Chen; Shaojun, Liu; Yanan, Shen; Xijin, Ge
1996-09-01
This paper develops the Möbius inversion formula for the Gaussian integers and Eisenstein's integers, and gives two applications. The first application is to the two-dimensional arithmetic Fourier transform (AFT), which is suitable for parallel processing. The second application is to two-dimensional inverse lattice problems, and is illustrated with the recovery of interatomic potentials from the cohesive energy for monolayer graphite. The paper demonstrates the potential application in the physical science of integral domains other than the standard integers.
Complex zeros of the 2 d Ising model on dynamical random lattices
NASA Astrophysics Data System (ADS)
Ambjørn, J.; Anagnostopoulos, K. N.; Magnea, U.
1998-04-01
We study the zeros in the complex plane of the partition function for the Ising model coupled to 2 d quantum gravity for complex magnetic field and for complex temperature. We compute the zeros by using the exact solution coming from a two matrix model and by Monte Carlo simulations of Ising spins on dynamical triangulations. We present evidence that the zeros form simple one-dimensional patterns in the complex plane, and that the critical behaviour of the system is governed by the scaling of the distribution of singularities near the critical point.
Hubbard Model study of Off Diagonally Confined fermions in a 2D Optical Lattice
NASA Astrophysics Data System (ADS)
Cone, Dave; Chiesa, Simone; Scalettar, Richard; Batrouni, George
2010-03-01
We report Quantum Monte Carlo simulations of a Hubbard Hamiltonian which incorporates a proposed new method for confining atoms in an optical lattice employing an inhomogeneous array of hopping matrix elements which trap atoms by going to zero at the lattice edges. This has been termed ``Off Diagonal Confinement (ODC)'' [1] to distinguish it from the more conventional use of a parabolic trap coupling to (diagonal) density operators. It has the advantage of producing systems which, while still being inhomogeneous, are entirely in the Mott phase, and allow simulations which are free of the sign problem at low temperatures. We analyze the effects of using ODC traps on the local density, density fluctuation, spin, and pairing correlation functions. Finally, we will discuss the advantages and importance of this new confinement technique for modeling correlated systems. Research supported by the Department of Energy, Office of Science SCIDAC program, DOE-DE-FC0206ER25793. [1] V.G. Rousseau et al., arXiv:0909.3543
Modeling Selective Local Interactions with Memory: Motion on a 2D Lattice.
Weinberg, Daniel; Levy, Doron
2014-06-15
We consider a system of particles that simultaneously move on a two-dimensional periodic lattice at discrete times steps. Particles remember their last direction of movement and may either choose to continue moving in this direction, remain stationary, or move toward one of their neighbors. The form of motion is chosen based on predetermined stationary probabilities. Simulations of this model reveal a connection between these probabilities and the emerging patterns and size of aggregates. In addition, we develop a reaction diffusion master equation from which we derive a system of ODEs describing the dynamics of the particles on the lattice. Simulations demonstrate that solutions of the ODEs may replicate the aggregation patterns produced by the stochastic particle model. We investigate conditions on the parameters that influence the locations at which particles prefer to aggregate. This work is a two-dimensional generalization of [Galante & Levy, Physica D, http://dx.doi.org/10.1016/j.physd.2012.10.010], in which the corresponding one-dimensional problem was studied. PMID:25045193
Yang Xuefeng; Cui Jian; Zhang Yuan; Liu Yue
2012-07-15
The dispersion relations of the externally and thermally (naturally) excited dust lattice modes (both longitudinal and transverse) in two-dimensional Debye-Yukawa complex plasma crystals are investigated. The dispersion relations are calculated numerically by taking the neutral gas damping effects into account and the numerical results are in agreement with the experimental data given by Nunomura et al.[Phys. Rev. E 65, 066402 (2002)]. It is found that for the mode excited by an external disturbance with a real frequency, the dispersion properties are changed at a critical frequency near where the group velocity of the mode goes to zero. Therefore, the high frequency branch with negative dispersion cannot be reached. In contrast, for the thermally excited mode, the dispersion curve can extend all the way to the negative dispersion region, while a 'cut-off' wave number exists at the long wavelength end of the dispersion in the transverse mode.
NASA Astrophysics Data System (ADS)
Dai, Jian-Qing; Zhu, Jian-Hui; Xu, Jie-Wang
2016-07-01
The recently discovered hexagonal ABC-type hyperferroelectrics, in which the polarization persists in the presence of the depolarization filed, exhibit a variety of intriguing and potentially useful properties [Garrity et al., Phys. Rev. Lett. 112, 127601 (2014)]. For the existing prototype of LiBeSb, we present detailed first-principles calculations concerning the lattice dynamics, electronic structure, and optical properties. An unstable longitudinal optic mode in the high-symmetry structure and a large polarization of 0.5 C/m2 in the polar phase are reported, including the remarkable dependence of Born effective charges on structural distortion. Using the HSE06 hybrid functional, we predict that LiBeSb has a small band-gap of 1.5 eV and shows dominant asymmetric covalent bonding character. Importantly, we find that there are remarkable absorptions in the whole visible spectrum. These features, combined with the enhanced carrier mobility, make LiBeSb as well as the whole family of hexagonal ABC-type hyperferroelectrics as promising candidates for ferroelectric photovoltaic materials with large bulk photovoltaic effect in the visible spectrum.
Ordering of Sphere Forming SISO Tetrablock Terpolymers on a Simple Hexagonal Lattice
Zhang, Jingwen; Sides, Scott; Bates, Frank S.
2012-03-15
Hexagonally ordered spherical and cylindrical morphologies (P{sub 6}/mmm and P{sub 6}/mm space group symmetries) have been identified in bulk poly(styrene-b-isoprene-b-styrene-b-ethylene oxide) (SISO) tetrablock terpolymers. These materials were synthesized by adding up to 32% by volume O blocks to a parent hydroxy-terminated SIS triblock copolymer containing 40% S by volume, and the resulting morphologies were characterized by small-angle X-ray scattering, transmission electron microscopy, differential scanning calorimetry and dynamic mechanical spectroscopy. Disordered, spherical and cylindrical phases were documented with increasing O content, where both ordered states exhibit hexagonal symmetry. Theoretical calculations based on a numerical self-consistent field theory for polymers provide crucial insights into the molecular configurations associated with these morphologies. These results offer a new approach to independently control domain shape and packing in block copolymer melts through manipulation of the magnitude and sequencing of the binary segment-segment interactions ({chi}{sub SI} {<=} {chi}{sub SO} << {chi}{sub IO}), which dictate core segregation and the effective interdomain interactions.
Particulate nature of blood determines macroscopic rheology: a 2-D lattice Boltzmann analysis.
Sun, Chenghai; Munn, Lance L
2005-03-01
Historically, predicting macroscopic blood flow characteristics such as viscosity has been an empirical process due to the difficulty in rigorously including the particulate nature of blood in a mathematical representation of blood rheology. Using a two-dimensional lattice Boltzmann approach, we have simulated the flow of red blood cells in a blood vessel to estimate flow resistance at various hematocrits and vessel diameters. By including white blood cells (WBCs) in the flow, we also calculate the increase in resistance due to white cell rolling and adhesion. The model considers the blood as a suspension of particles in plasma, accounting for cell-cell and cell-wall interactions to predict macroscopic blood rheology. The model is able to reproduce the Fahraeus-Lindqvist effect, i.e., the increase in relative apparent viscosity as tube size increases, and the Fahraeus effect, i.e., tube hematocrit is lower than discharge hematocrit. In addition, the model allows direct assessment of the effect of WBCs on blood flow in the microvasculature, reproducing the dramatic increases in flow resistance as WBCs enter short capillary segments. This powerful and flexible model can be used to predict blood flow properties in any vessel geometry and with any blood composition. PMID:15613630
Adiabatic and Hamiltonian computing on a 2D lattice with simple two-qubit interactions
NASA Astrophysics Data System (ADS)
Lloyd, Seth; Terhal, Barbara M.
2016-02-01
We show how to perform universal Hamiltonian and adiabatic computing using a time-independent Hamiltonian on a 2D grid describing a system of hopping particles which string together and interact to perform the computation. In this construction, the movement of one particle is controlled by the presence or absence of other particles, an effective quantum field effect transistor that allows the construction of controlled-NOT and controlled-rotation gates. The construction translates into a model for universal quantum computation with time-independent two-qubit ZZ and XX+YY interactions on an (almost) planar grid. The effective Hamiltonian is arrived at by a single use of first-order perturbation theory avoiding the use of perturbation gadgets. The dynamics and spectral properties of the effective Hamiltonian can be fully determined as it corresponds to a particular realization of a mapping between a quantum circuit and a Hamiltonian called the space-time circuit-to-Hamiltonian construction. Because of the simple interactions required, and because no higher-order perturbation gadgets are employed, our construction is potentially realizable using superconducting or other solid-state qubits.
A hierarchical lattice spring model to simulate the mechanics of 2-D materials-based composites
NASA Astrophysics Data System (ADS)
Brely, Lucas; Bosia, Federico; Pugno, Nicola
2015-07-01
In the field of engineering materials, strength and toughness are typically two mutually exclusive properties. Structural biological materials such as bone, tendon or dentin have resolved this conflict and show unprecedented damage tolerance, toughness and strength levels. The common feature of these materials is their hierarchical heterogeneous structure, which contributes to increased energy dissipation before failure occurring at different scale levels. These structural properties are the key to exceptional bioinspired material mechanical properties, in particular for nanocomposites. Here, we develop a numerical model in order to simulate the mechanisms involved in damage progression and energy dissipation at different size scales in nano- and macro-composites, which depend both on the heterogeneity of the material and on the type of hierarchical structure. Both these aspects have been incorporated into a 2-dimensional model based on a Lattice Spring Model, accounting for geometrical nonlinearities and including statistically-based fracture phenomena. The model has been validated by comparing numerical results to continuum and fracture mechanics results as well as finite elements simulations, and then employed to study how structural aspects impact on hierarchical composite material properties. Results obtained with the numerical code highlight the dependence of stress distributions on matrix properties and reinforcement dispersion, geometry and properties, and how failure of sacrificial elements is directly involved in the damage tolerance of the material. Thanks to the rapidly developing field of nanocomposite manufacture, it is already possible to artificially create materials with multi-scale hierarchical reinforcements. The developed code could be a valuable support in the design and optimization of these advanced materials, drawing inspiration and going beyond biological materials with exceptional mechanical properties.
Beyond classical nucleation theory: A 2-D lattice-gas automata model
NASA Astrophysics Data System (ADS)
Hickey, Joseph
Nucleation is the first step in the formation of a new phase in a thermodynamic system. The Classical Nucleation Theory (CNT) is the traditional theory used to describe this phenomenon. The object of this thesis is to investigate nucleation beyond one of the most significant limitations of the CNT: the assumption that the surface tension of a nucleating cluster of the new phase is independent of the cluster's size and has the same value that it would have in the bulk of the new phase. In order to accomplish this, we consider a microscopic, two-dimensional Lattice Gas Automata (LGA) model of precipitate nucleation in a supersaturated system, with model input parameters Ess (solid particle-to-solid particle bonding energy), Esw (solid particle-to-water particle bonding energy), eta (next-to-nearest neighbour bonding coeffiicent in solid phase), and Cin (initial solute concentration). The LGA method was chosen for its advantages of easy implementation, low memory requirements, and fast computation speed. Analytical results for the system's concentration and the crystal radius as functions of time are derived and the former is fit to the simulation data in order to determine the system's equilibrium concentration. A mean first-passage time (MFPT) technique is used to obtain the nucleation rate and critical nucleus size from the simulation data. The nucleation rate and supersaturation are evaluated using a modification to the CNT that incorporates a two-dimensional, radius-dependent surface tension term. The Tolman parameter, delta, which controls the radius-dependence of the surface tension, decreases (increases) as a function of the magnitude of Ess (Esw), at fixed values of eta and Esw (Ess). On the other hand, delta increases as eta increases while E ss and Esw are held constant. The constant surface tension term of the CNT, Sigma0, increases (decreases) with increasing magnitudes of Ess (Esw) fixed values of Esw (Ess), and increases as eta is increased. Together
ROHATGI,U.S.; JO,J.; CHUNG,B.D.; TAKAHASHI,H.
2002-06-09
Safety analyses of a proliferation resistant, economically competitive, high conversion, boiling water reactor (HCBWR) fueled with fissile plutonium and fertile thorium oxide fuel elements, and with passive safety systems are presented here. The HCBWR developed here is characterized by a very tight lattice with a relatively small water volume fraction in the core which therefore operates with a fast reactor neutron spectrum, and a considerably improved neutron economy compared to the current generation of Light Water Reactors. The tight lattice core has a very narrow flow channels with a hydraulic diameter less than half of the regular BWR core and, thus, presents a special challenge to core cooling, because of reduced water inventory and high friction in the core. The primary safety concern when reducing the moderator to fuel ratio and when using a tightly packed lattice arrangement is to maintain adequate cooling of the core during both normal operation and accident scenarios. In the preliminary HCBWR design, the core has been placed in a vessel with a large chimney section, and the vessel is connected with Isolation Condenser System (ICs). The vessel is placed in containment with Gravity Driven Cooling System (GDCS) and Passive Containment Cooling System (PCCS) in a configuration similar to General Electric's Simplified Boiling Water Reactor (SBWR). The safety systems are similar to SBWR; ICs and PCCS are scaled with power. An internal recirculation pump was placed in the downcomer to augment the buoyancy head provided by the chimney, since the buoyancy provided by the chimney alone could not generate sufficient recirculation in the vessel as the tight lattice configuration resulted in much larger friction in the core than the SBWR. The constitutive relationships for RELAP5 were assessed for narrow channels, and as a result the heat transfer package was modified. The modified RELAP5 was used to simulate and analyze two of the most limiting events for a tight
Ao, L; Pham, A; Xiao, H Y; Zu, X T; Li, S
2016-03-14
We have systematically investigated the effects of different vacancy defects in 2D d(0) materials SnS2 and ZrS2 using first principles calculations. The theoretical results show that the single cation vacancy and the vacancy complex like V-SnS6 can induce large magnetic moments (3-4 μB) in these single layer materials. Other defects, such as V-SnS3, V-S, V-ZrS3 and V-ZrS6, can result in n-type conductivity. In addition, the ab initio studies also reveal that the magnetic and conductive properties from the cation vacancy and the defect complex V-SnS6 can be modified using the compressive/tensile strain of the in-plane lattices. Specifically, the V-Zr doped ZrS2 monolayer can be tuned from a ferromagnetic semiconductor to a metallic/half-metallic material with decreasing/increasing magnetic moments depending on the external compressive/tensile strains. On the other hand, the semiconducting and magnetic properties of V-Sn doped SnS2 is preserved under different lattice compression and tension. For the defect complex like V-SnS6, only the lattice compression can tune the magnetic moments in SnS2. As a result, by manipulating the fabrication parameters, the magnetic and conductive properties of SnS2 and ZrS2 can be tuned without the need for chemical doping. PMID:26888010
NASA Astrophysics Data System (ADS)
Woods, Justin; Bhat, Vinayak; Farmer, Barry; Sklenar, Joseph; Teipel, Eric; Ketterson, John; Hastings, J. Todd; de Long, Lance
2015-03-01
Artificial spin ice (ASI) systems are composed of nanoscale ferromagnetic segments whose shape anisotropy dictates they behave as mesoscopic Ising spins. Most ASI have segments patterned on periodic lattices and a single vertex topology. We have continuously distorted 2D honeycomb and square lattices such that the pattern vertex spacings follow a Fibonacci chain sequence along primitive lattice directions. The Fibonacci distortion is related to the aperiodic translational symmetry of 2D artificial quasicrystals1 that cannot be viewed as continuous distortions of periodic lattices due to their forbidden (e.g., fivefold) rotational symmetries. In contrast, Fibonacci distortions of 2D periodic lattices can be ``turned on'' by control of the ratio of two lattice parameters d1 and d2. Distortions alter film segments such that pattern vertices are no longer equivalent and traditional spin ice rules are no longer strictly valid. We have performed OOMMF simulations of magnetization reversal for samples having different levels of distortion, and found the magnetic reversal to be dramatically slowed by small distortions (d1/d2 ~ 1). Research at Kentucky is supported by U.S. DoE Grant DE-FG02-97ER45653 and NSF Grant EPS-0814194.
An exact and efficient first passage time algorithm for reaction–diffusion processes on a 2D-lattice
Bezzola, Andri; Bales, Benjamin B.; Alkire, Richard C.; Petzold, Linda R.
2014-01-01
We present an exact and efficient algorithm for reaction–diffusion–nucleation processes on a 2D-lattice. The algorithm makes use of first passage time (FPT) to replace the computationally intensive simulation of diffusion hops in KMC by larger jumps when particles are far away from step-edges or other particles. Our approach computes exact probability distributions of jump times and target locations in a closed-form formula, based on the eigenvectors and eigenvalues of the corresponding 1D transition matrix, maintaining atomic-scale resolution of resulting shapes of deposit islands. We have applied our method to three different test cases of electrodeposition: pure diffusional aggregation for large ranges of diffusivity rates and for simulation domain sizes of up to 4096×4096 sites, the effect of diffusivity on island shapes and sizes in combination with a KMC edge diffusion, and the calculation of an exclusion zone in front of a step-edge, confirming statistical equivalence to standard KMC simulations. The algorithm achieves significant speedup compared to standard KMC for cases where particles diffuse over long distances before nucleating with other particles or being captured by larger islands.
NASA Astrophysics Data System (ADS)
Velarde, M. G.; Ebeling, W.; Chetverikov, A. P.
2013-01-01
We study the thermal excitation of intrinsic localized modes in the form of solitons in 1d and 2d anharmonic lattices at moderately high temperatures. Such finite-amplitude fluctuations form long-living dynamical structures with life-time in the pico-second range thus surviving a relatively long time in comparison to other thermal fluctuations. Further we discuss the influence of such long-living fluctuations on the dynamics of added excess free electrons. The atomic lattice units are treated as quasi-classical objects interacting by Morse forces and stochastically moving according to Langevin equations. In 2d the atoms are initially organized in a triangular lattice. The electron distributions are in a first estimate represented by equilibrium adiabatic distributions in the actual polarization fields. Computer simulations show that in 2d systems such excitations are moving with supersonic velocities along lattice rows oriented with the cristallographic axes. By following the electron distributions we have also been able to study the excitations of solectron type (electron-soliton dynamic bound states) and estimate their life times.
NASA Astrophysics Data System (ADS)
Akahama, Y.; Ishihara, D.; Yamashita, H.; Fujihisa, H.; Hirao, N.; Ohishi, Y.
2016-08-01
The pressure-temperature (P -T ) phase diagram of N2-O2 mixture with a composition of N2-48 mol % O2 has been investigated using x-ray diffraction and the phase stability of a hexagonal phase (space group: P 6 /mmm), with the kagome lattice examined under high-pressure and low-temperature conditions. While the phase appears as a low-temperature phase of the cubic phase (P m 3 n ) with the structure of γ -O2 or δ -N2 and is stable in a wide range of pressures and temperatures, it transforms to lower symmetry monoclinic or orthorhombic phases at lower temperature, accompanied with a distortion of the kagome lattice. Based on Rietveld refinements, the monoclinic and orthorhombic phases are found to be in the P 21/a and Cmmm space groups, respectively. In magnetization measurements, a magnetic transition is observed with a relatively large drop of magnetization, corresponding to the cubic-to-hexagonal phase transition. This suggests that the hexagonal phase has a certain magnetic ordered state that arises from the molecular magnetic moment of O2.
NASA Astrophysics Data System (ADS)
Sfyris, D.; Koukaras, E. N.; Pugno, N.; Galiotis, C.
2015-08-01
Continuum modeling of free-standing graphene monolayer, viewed as a two dimensional 2-lattice, requires specification of the components of the shift vector that acts as an auxiliary variable. If only in-plane motions are considered, the energy depends on an in-plane strain measure and the shift vector. The assumption of geometrical and material linearity leads to quadratic energy terms with respect to the shift vector, the strain tensor, and their combinations. Graphene's hexagonal symmetry reduces the number of independent moduli then to four. We evaluate these four material parameters using molecular calculations and the adaptive intermolecular reactive empirical bond order potential and compare them with standard linear elastic constitutive modeling. The results of our calculations show that the predicted values are in reasonable agreement with those obtained solely from our molecular calculations as well as those from the literature. To the best of our knowledge, this is the first attempt to measure mechanical properties when graphene is modeled as a hexagonal 2-lattice. This work targets at the continuum scale when the insight measurements come from finer scales using atomistic simulations.
Sfyris, D. E-mail: dsfyris@sfyris.net; Koukaras, E. N.; Pugno, N.; Galiotis, C.
2015-08-21
Continuum modeling of free-standing graphene monolayer, viewed as a two dimensional 2-lattice, requires specification of the components of the shift vector that acts as an auxiliary variable. If only in-plane motions are considered, the energy depends on an in-plane strain measure and the shift vector. The assumption of geometrical and material linearity leads to quadratic energy terms with respect to the shift vector, the strain tensor, and their combinations. Graphene's hexagonal symmetry reduces the number of independent moduli then to four. We evaluate these four material parameters using molecular calculations and the adaptive intermolecular reactive empirical bond order potential and compare them with standard linear elastic constitutive modeling. The results of our calculations show that the predicted values are in reasonable agreement with those obtained solely from our molecular calculations as well as those from the literature. To the best of our knowledge, this is the first attempt to measure mechanical properties when graphene is modeled as a hexagonal 2-lattice. This work targets at the continuum scale when the insight measurements come from finer scales using atomistic simulations.
NaKV4O9·2H2O: a new 2D magnetic compound with a 1/5-depleted square lattice.
Cui, Meiyan; He, Zhangzhen; Wang, Nannan; Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Wang, Lin; Xiang, Hongping
2016-03-15
A new vanadate compound NaKV4O9·2H2O is successfully synthesized by a conventional hydrothermal method. This compound crystallizes in the monoclinic system with the space group C2/c, showing a typical 2D layered structure built from VO5 pyramids, in which the layers are separated by Na(+), K(+), and H2O. The topology structure of magnetic V(4+) ions shows a quite interesting 1/5-depleted square lattice, which is quite similar to that of a famous low-dimensional quantum spin system CaV4O9. A structural and magnetic comparison confirmed that the title compound may exhibit a more pronounced 2D character with a large spin gap. PMID:26892907
NASA Astrophysics Data System (ADS)
Yang, PeiPei; Wen, Zhi; Dou, RuiFeng; Liu, Xunliang
2016-08-01
Flow and heat transfer through a 2D random porous medium are studied by using the lattice Boltzmann method (LBM). For the random porous medium, the influence of disordered cylinder arrangement on permeability and Nusselt number are investigated. Results indicate that the permeability and Nusselt number for different cylinder locations are unequal even with the same number and size of cylinders. New correlations for the permeability and coefficient b‧Den of the Forchheimer equation are proposed for random porous medium composed of Gaussian distributed circular cylinders. Furthermore, a general set of heat transfer correlations is proposed and compared with existing experimental data and empirical correlations. Our results show that the Nu number increases with the increase of the porosity, hence heat transfer is found to be accurate considering the effect of porosity.
Liu, Ying; Dong, Li-fang; Niu, Xue-jiao; Zhang, Chao
2016-02-01
The hexagonal super-lattice pattern composed of the light spot and the dim spot is firstly observed and investigated in the discharge of gas mixture of air and argon by using the dielectric barrier discharge device with double water electrodes. It is found that the dim spot is located at the center of its surrounding three light spots by observing the discharge image. Obviously, the brightness of the light spot and the dim spot are different, which indicates that the plasma states of the light spot and the dim spot may be different. The optical emission spectrum method is used to further study the several plasma parameters of the light spot and the dim spot in different argon content. The emission spectra of the N₂ second positive band (C³IIu --> B³IIg) are measured, from which the molecule vibration temperatures of the light spot and the dim spot are calculated. Based on the relative intensity ratio of the line at 391.4 nm and the N₂ line at 394.1 nm, the average electron energies of the light spot and the dim spot are investigated. The broadening of spectral line 696.57 nm (2P₂-1S₅) is used to study the electron densities of the light spot and the dim spot. The experiment shows that the molecule vibration temperature, average electron energy and the electron density of the dim spot are higher than those of the light spot in the same argon content. The molecule vibration temperature and electron density of the light spot and dim spot increase with the argon content increasing from 70% to 95%, while average electron energies of the light spot and dim spot decrease gradually. The short-exposure image recorded by a high speed video camera shows that the dim spot results from the surface discharges (SDs). The surface discharge induced by the volume discharge (VD) has the decisive effect on the formation of the dim spot. The experiment above plays an important role in studying the formation mechanism of the hexagonal super-lattice pattern with light spot and
Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems
Björkman, Torbjörn; Kurasch, Simon; Lehtinen, Ossi; Kotakoski, Jani; Yazyev, Oleg V.; Srivastava, Anchal; Skakalova, Viera; Smet, Jurgen H.; Kaiser, Ute; Krasheninnikov, Arkady V.
2013-01-01
By combining first-principles and classical force field calculations with aberration-corrected high-resolution transmission electron microscopy experiments, we study the morphology and energetics of point and extended defects in hexagonal bilayer silica and make comparison to graphene, another two-dimensional (2D) system with hexagonal symmetry. We show that the motifs of isolated point defects in these 2D structures with otherwise very different properties are similar, and include Stone-Wales-type defects formed by structural unit rotations, flower defects and reconstructed double vacancies. The morphology and energetics of extended defects, such as grain boundaries have much in common as well. As both sp2-hybridised carbon and bilayer silica can also form amorphous structures, our results indicate that the morphology of imperfect 2D honeycomb lattices is largely governed by the underlying symmetry of the lattice. PMID:24336488
NASA Astrophysics Data System (ADS)
Paul, Barnita; Chatterjee, Swastika; Gop, Sumana; Roy, Anushree; Grover, Vinita; Shukla, Rakesh; Tyagi, A. K.
2016-07-01
Rare-earth indates emerge as one of the efficient geometric ferroelectric materials, in which the spontaneous polarization can be tuned by varying their crystal structure along the 4f rare-earth series. We report a systematic study of structural changes in hexagonal REInO3 perovskite (RE = Ho3+, Dy3+, Tb3+, Gd3+, Eu3+, Sm3+) and YInO3 of P63 cm space group by powder x-ray diffraction (XRD) and Raman scattering measurements. The crystal structure of these materials could be investigated by the Rietveld refinement of their XRD patterns. We have calculated density of states of phonons using density functional theory and examined the atomic displacements corresponding to observed Raman modes. The evolution of lattice dynamics of REInO3 has been probed by correlating various Raman modes with the structural distortion of the unit cell and the characteristics of the rare-earth ions. We report the appearance of the coupled mode in the phonon spectra. We have estimated spontaneous polarization from the structural distortion in this system and shown that it can be modulated by varying RE3+ ions in REInO3. We also report the appearance of a ferroelectric soft Raman mode, a unique characteristic of these materials.
Ashley, Carlee E; Dunphy, Darren R; Jiang, Zhang; Carnes, Eric C; Yuan, Zhen; Petsev, Dimiter N; Atanassov, Plamen B; Velev, Orlin D; Sprung, Michael; Wang, Jin; Peabody, David S; Brinker, C Jeffrey
2011-04-18
The rapid assembly of icosohedral virus-like particles (VLPs) into highly ordered (domain size > 600 nm), oriented 2D superlattices directly onto a solid substrate using convective coating is demonstrated. In-situ grazing-incidence small-angle X-ray scattering (GISAXS) is used to follow the self-assembly process in real time to characterize the mechanism of superlattice formation, with the ultimate goal of tailoring film deposition conditions to optimize long-range order. From water, GISAXS data are consistent with a transport-limited assembly process where convective flow directs assembly of VLPs into a lattice oriented with respect to the water drying line. Addition of a nonvolatile solvent (glycerol) modified this assembly pathway, resulting in non-oriented superlattices with improved long-range order. Modification of electrostatic conditions (solution ionic strength, substrate charge) also alters assembly behavior; however, a comparison of in-situ assembly data between VLPs derived from the bacteriophages MS2 and Qβ show that this assembly process is not fully described by a simple Derjaguin-Landau-Verwey-Overbeek model alone. PMID:21425464
Pérez-Montoto, Lázaro G; Santana, Lourdes; González-Díaz, Humberto
2009-11-01
We introduce here a new class of invariants for MD trajectories based on the spectral moments pi(k)(L) of the Markov matrix associated to lattice network-like (LN) graph representations of Molecular Dynamics (MD) trajectories. The procedure embeds the MD energy profiles on a 2D Cartesian coordinates system using simple heuristic rules. At the same time, we associate the LN with a Markov matrix that describes the probabilities of passing from one state to other in the new 2D space. We construct this type of LNs for 422 MD trajectories obtained in DNA-drug docking experiments of 57 furocoumarins. The combined use of psoralens+ultraviolet light (UVA) radiation is known as PUVA therapy. PUVA is effective in the treatment of skin diseases such as psoriasis and mycosis fungoides. PUVA is also useful to treat human platelet (PTL) concentrates in order to eliminate Leishmania spp. and Trypanosoma cruzi. Both are parasites that cause Leishmaniosis (a dangerous skin and visceral disease) and Chagas disease, respectively; and may circulate in blood products collected from infected donors. We included in this study both lineal (psoralens) and angular (angelicins) furocoumarins. In the study, we grouped the LNs on two sets; set1: DNA-drug complex MD trajectories for active compounds and set2: MD trajectories of non-active compounds or no-optimal MD trajectories of active compounds. We calculated the respective pi(k)(L) values for all these LNs and used them as inputs to train a new classifier that discriminate set1 from set2 cases. In training series the model correctly classifies 79 out of 80 (specificity=98.75%) set1 and 226 out of 238 (Sensitivity=94.96%) set2 trajectories. In independent validation series the model correctly classifies 26 out of 26 (specificity=100%) set1 and 75 out of 78 (sensitivity=96.15%) set2 trajectories. We propose this new model as a scoring function to guide DNA-docking studies in the drug design of new coumarins for anticancer or antiparasitic
Dea-Ayuela, María Auxiliadora; Pérez-Castillo, Yunierkis; Meneses-Marcel, Alfredo; Ubeira, Florencio M; Bolas-Fernández, Francisco; Chou, Kuo-Chen; González-Díaz, Humberto
2008-08-15
The toxicity and inefficacy of actual organic drugs against Leishmaniosis justify research projects to find new molecular targets in Leishmania species including Leishmania infantum (L. infantum) and Leishmaniamajor (L. major), both important pathogens. In this sense, quantitative structure-activity relationship (QSAR) methods, which are very useful in Bioorganic and Medicinal Chemistry to discover small-sized drugs, may help to identify not only new drugs but also new drug targets, if we apply them to proteins. Dyneins are important proteins of these parasites governing fundamental processes such as cilia and flagella motion, nuclear migration, organization of the mitotic splinde, and chromosome separation during mitosis. However, despite the interest for them as potential drug targets, so far there has been no report whatsoever on dyneins with QSAR techniques. To the best of our knowledge, we report here the first QSAR for dynein proteins. We used as input the Spectral Moments of a Markov matrix associated to the HP-Lattice Network of the protein sequence. The data contain 411 protein sequences of different species selected by ClustalX to develop a QSAR that correctly discriminates on average between 92.75% and 92.51% of dyneins and other proteins in four different train and cross-validation datasets. We also report a combined experimental and theoretic study of a new dynein sequence in order to illustrate the utility of the model to search for potential drug targets with a practical example. First, we carried out a 2D-electrophoresis analysis of L. infantum biological samples. Next, we excised from 2D-E gels one spot of interest belonging to an unknown protein or protein fragment in the region M<20,200 and pI<4. We used MASCOT search engine to find proteins in the L. major data base with the highest similarity score to the MS of the protein isolated from L. infantum. We used the QSAR model to predict the new sequence as dynein with probability of 99.99% without
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.
B{sub 27}{sup −}: Appearance of the smallest planar boron cluster containing a hexagonal vacancy
Li, Wei-Li; Piazza, Zachary A.; Wang, Lai-Sheng; Pal, Rhitankar; Zeng, Xiao Cheng
2015-05-28
Photoelectron spectroscopy and ab initio calculations have been carried out to probe the structures and chemical bonding of the B{sub 27}{sup −} cluster. Comparison between the experimental spectrum and the theoretical results reveals a two-dimensional (2D) global minimum with a triangular lattice containing a tetragonal defect (I) and two low-lying 2D isomers (II and III), each with a hexagonal vacancy. All three 2D isomers have 16 peripheral boron atoms and 11 inner boron atoms. Isomer I is shown to be mainly responsible for the observed photoelectron spectrum with isomers II and III as minor contributors. Chemical bonding analyses of these three isomers show that they all feature 16 localized peripheral B–B σ-bonds. Additionally, isomer I possesses 16 delocalized σ bonds and nine delocalized π bonds, while isomers II and III each contain 17 delocalized σ bonds and eight delocalized π bonds. It is found that the hexagonal vacancy is associated generally with an increase of delocalized σ bonds at the expense of delocalized π bonds in 2D boron clusters. The hexagonal vacancy, characteristic of borophenes, is found to be a general structural feature for mid-sized boron clusters. The current study shows that B{sub 27}{sup −} is the first boron cluster, where a hexagonal vacancy appears among the low-lying isomers accessible experimentally.
NASA Astrophysics Data System (ADS)
Bouchiat, Marie-Anne; Bouchiat, Claude
2012-10-01
We have constructed the geometric phases emerging from the non-trivial topology of a space-dependent magnetic field B(r), interacting with the spin magnetic moment of a neutral particle. Our basic tool, adapted from a previous work on Berry’s phases, is the space-dependent unitary transformation {U}({\\mathbf {r}}), which leads to the identity, {U}({\\mathbf {r}})^{\\dag }\\, {\\mathbf {S}}\\,{\\bm \\cdot}\\, {\\mathbf {B}}({\\mathbf {r}}) \\, {U}({\\mathbf {r}}) = \\vert {\\mathbf {B}}({\\mathbf {r}}) \\vert \\, S_z, at each point r. In the ‘rotated’ Hamiltonian \\widehat{ H}, \\frac{ \\partial }{\\partial {\\mathbf {r}}} is replaced by the non-Abelian covariant derivative \\frac{ \\partial }{\\partial {\\mathbf {r}}}- \\frac{i}{\\hbar } {A}({\\mathbf {r}}) where {A}({\\mathbf {r}}) = i \\hbar \\, {U}^{\\dag }\\,{\\bm\\cdot}\\, \\frac{ \\partial }{\\partial {\\mathbf {r}}} {U} can be written as A1(r)Sx + A2(r)Sy + A3(r)Sz. The Abelian differentials Ak(r)·dr are given in terms of the Euler angles defining the orientation of B(r). The non-Abelian field {A}({\\mathbf {r}}) transforms as a Yang-Mills field; however, its vanishing ‘curvature’ reveals its purely geometric character. We have defined a perturbation scheme based upon the assumption that in \\widehat{ H} the longitudinal field A3(r) dominates the transverse field A1, 2(r) contributions, evaluated to second order. The geometry embedded in both the vector field A3(r) and the geometric magnetic field \\mathbf { B}_3 ({\\mathbf {r}}) = \\frac{ \\partial }{\\partial {\\mathbf {r}}}\\wedge {{\\mathbf {A}}}_3({\\mathbf {r}}) is described by their associated Aharonov-Bohm phase. As an illustration we study the physics of cold 171Yb atoms dressed by overlaying two circularly polarized stationary waves with orthogonal directions, which form a 2D square optical lattice. The frequency is tuned midway between the two hyperfine levels of the (6s6p)3P1 states to protect the optical B(r) field generated by the
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
Beam-Plasma Interaction and Instabilities in a 2D Yukawa Plasma
NASA Astrophysics Data System (ADS)
Kyrkos, S.; Kalman, G.; Rosenberg, M.
2008-11-01
In a complex plasma, penetrating charged particle beams may lead to beam-plasma instabilities. When either the plasma, the beam, or both, are strongly interacting [1], the features of the instability are different from those in a weakly coupled plasma. We consider the case when a 2D dusty plasma forms a lattice, and the beam is moving in the lattice plane. Both the grains and the beam particles interact through a Yukawa potential; the beam particles are weakly coupled to each other and to the lattice. The system develops both a longitudinal and a transverse instability. Based on the phonon spectrum of a 2D hexagonal Yukawa lattice [2], we determine and compare the transverse and longitudinal growth rates. As a function of the wavenumber, the growth rates exhibit remarkable gaps, where no instability is excited. The gap locations are governed by the ratio of the lattice and the beam plasma frequencies. The behavior of the growth rates also depends on the direction of the beam and on the relationship between the beam speed and the longitudinal and transverse sound speeds. [1] GJ Kalman, M Rosenberg, JPA 36, 5963 (2003). [2] T Sullivan, GJ Kalman, S Kyrkos, P Bakshi, M Rosenberg, Z Donko, JPA 39, 4607 (2006).
Metrology for graphene and 2D materials
NASA Astrophysics Data System (ADS)
Pollard, Andrew J.
2016-09-01
The application of graphene, a one atom-thick honeycomb lattice of carbon atoms with superlative properties, such as electrical conductivity, thermal conductivity and strength, has already shown that it can be used to benefit metrology itself as a new quantum standard for resistance. However, there are many application areas where graphene and other 2D materials, such as molybdenum disulphide (MoS2) and hexagonal boron nitride (h-BN), may be disruptive, areas such as flexible electronics, nanocomposites, sensing and energy storage. Applying metrology to the area of graphene is now critical to enable the new, emerging global graphene commercial world and bridge the gap between academia and industry. Measurement capabilities and expertise in a wide range of scientific areas are required to address this challenge. The combined and complementary approach of varied characterisation methods for structural, chemical, electrical and other properties, will allow the real-world issues of commercialising graphene and other 2D materials to be addressed. Here, examples of metrology challenges that have been overcome through a multi-technique or new approach are discussed. Firstly, the structural characterisation of defects in both graphene and MoS2 via Raman spectroscopy is described, and how nanoscale mapping of vacancy defects in graphene is also possible using tip-enhanced Raman spectroscopy (TERS). Furthermore, the chemical characterisation and removal of polymer residue on chemical vapour deposition (CVD) grown graphene via secondary ion mass spectrometry (SIMS) is detailed, as well as the chemical characterisation of iron films used to grow large domain single-layer h-BN through CVD growth, revealing how contamination of the substrate itself plays a role in the resulting h-BN layer. In addition, the role of international standardisation in this area is described, outlining the current work ongoing in both the International Organization of Standardization (ISO) and the
Collective spin excitations in 2D paramagnet with dipole interaction
NASA Astrophysics Data System (ADS)
Tsiberkin, Kirill
2016-02-01
The collective spin excitations in the unbounded 2D paramagnetic system with dipole interactions are studied. The model Hamiltonian includes Zeeman energy and dipole interaction energy, while the exchange vanishes. The system is placed into a constant uniform magnetic field which is orthogonal to the lattice plane. It provides the equilibrium state with spin ordering along the field direction, and the saturation is reached at zero temperature. We consider the deviations of spin magnetic moments from its equilibrium position along the external field. The Holstein-Primakoff representation is applied to spin operators in low-temperature approximation. When the interaction between the spin waves is negligible and only two-magnon terms are taken into account, the Hamiltonian diagonalisation is possible. We obtain the dispersion relation for spin waves in the square and hexagonal honeycomb lattice. Bose-Einstein statistics determine the average number of spin deviations, and total system magnetization. The lattice structure does not influence on magnetization at the long-wavelength limit. The dependencies of the relative magnetization and longitudinal susceptibility on temperature and external field intensity are found. The internal energy and specific heat of the Bose gas of spin waves are calculated. The collective spin excitations play a significant role in the properties of the paramagnetic system at low temperature and strong external magnetic field.
Weisemoeller, T.; Bertram, F.; Gevers, S.; Greuling, A.; Deiter, C.; Tobergte, H.; Neumann, M.; Wollschlaeger, J.; Giussani, A.; Schroeder, T.
2009-06-15
Films of hexagonal praseodymium sesquioxide (h-Pr{sub 2}O{sub 3}) were deposited on Si(111) by molecular beam epitaxy and thereafter annealed in 1 atm oxygen at different temperatures, ranging from 100 to 700 deg. C. The films of the samples annealed at 300 deg. C or more were transformed to PrO{sub 2} with B-oriented Fm3m structure, while films annealed at lower temperatures kept the hexagonal structure. The films are composed of PrO{sub 2} and PrO{sub 2-d}elta species, which coexist laterally and are tetragonally distorted due to the interaction at the interface between oxide film and Si substrate. Compared to PrO{sub 2}, PrO{sub 2-d}elta has the same cubic structure but with oxygen vacancies. The oxygen vacancies are partly ordered and increase the vertical lattice constant of the film, whereas the lateral lattice constant is almost identical for both species and on all samples. The latter lattice constant matches the lattice constant of the originally crystallized hexagonal praseodymium sesquioxide. That means that no long range reordering of the praseodymium atoms takes place during the phase transformation.
Triplet Pairing in Electron Systems with Hexagonal Symmetry
NASA Astrophysics Data System (ADS)
Tanaka, Akihiro; Hu, Xiao
2004-03-01
Inspired by the recently discovered superconductor Na_xCoO_2otyH_2O[1], we discuss how a novel triplet pairing state can occur from fermi surface effects/electron correlations in 2d electron systems with hexagonal symmetry[2]. This would serve as a complementary approach to studies based on the RVB picture, which basically concentrate on singlet pairing correlations. Spin and charge transports arising from the nontrivial topology (Chern numbers etc.) in k-space are investigated, and compared with the case of the square lattice. [1] K. Takada et al, Nature vol. 422, 53 (2003). [2] A. Tanaka and X. Hu, Phys. Rev. Lett., in press (cond-mat/0304409).
Effect of binding of lanthanide ions on the bacteriorhodopsin hexagonal structure: An x-ray study
Griffiths, J.A.; El-Sayed, M.A.; Capel, M.
1996-07-18
The effect of the binding of trivalent lanthanide metal cations (Eu{sup 3+}, Ho{sup 3+}, and Dy{sup 3+}) on the hexagonal structure of bacteriorhodopsin (bR) is investigated at different pH using x-Ray diffraction to examine films made by slow evaporation of the corresponding regenerated bR. It is observed that the lanthanide-regenerated bR (at a ratio of 2:1 metal ion to bR) does not form a 2D structure isomorphous to that of native bR or Ca{sup 2+}-regenerated samples at low sample pH. The native bR hexagonal structure is recovered by titration of the sample with sodium hydroxide. The pH at which the hexagonal structure is recovered depends on the charge density of the lanthanide ion used for the regeneration. The higher the charge density of the ion, the higher pH at which an isomorphous lattice is formed. A model is proposed in which at normal or low pH a complex bidentate and monodentate type binding (which disrupts the lattice hexagonal structure) exists between a lanthanide ion, the O{sup -} of PO{sub 2}{sup -} groups, and/or the amino acid residues. At high pH, complexation with OH{sup -} takes place, which converts this binding to a simple monodentate type complex that leads to the recovery of the lattice structure. An equation is derived for the pH at which this conversion takes place. 48 refs., 4 figs.
Wu, Yongfeng; Xiao, Weike
2014-02-01
We introduced a new two-dimensional (2D) hexagon technique for probing the topological structure of the universe in which we mapped regions of the sky with high and low galaxy densities onto a 2D lattice of hexagonal unit cells. We defined filled cells as corresponding to high-density regions and empty cells as corresponding to low-density regions. The numbers of filled cells and empty cells were kept the same by controlling the size of the cells. By analyzing the six sides of each hexagon, we could obtain and compare the statistical topological properties of high-density and low-density regions of the universe in order to have a better understanding of the evolution of the universe. We applied this hexagonal method to Two Micron All Sky Survey data and discovered significant topological differences between the high-density and low-density regions. Both regions had significant (>5σ) topological shifts from both the binomial distribution and the random distribution.
ERIC Educational Resources Information Center
Burkhauser, Beth; Porter, Dave
2010-01-01
This article discusses the international interdependence Hexagon Project for Haiti which invites students, ages five through eighteen, to create an image within a hexagonal template and respond to big questions surrounding a global culture of interdependence. The hexagon is a visual metaphor for interdependence, with its potential to infinitely…
2D electronic materials for army applications
NASA Astrophysics Data System (ADS)
O'Regan, Terrance; Perconti, Philip
2015-05-01
The record electronic properties achieved in monolayer graphene and related 2D materials such as molybdenum disulfide and hexagonal boron nitride show promise for revolutionary high-speed and low-power electronic devices. Heterogeneous 2D-stacked materials may create enabling technology for future communication and computation applications to meet soldier requirements. For instance, transparent, flexible and even wearable systems may become feasible. With soldier and squad level electronic power demands increasing, the Army is committed to developing and harnessing graphene-like 2D materials for compact low size-weight-and-power-cost (SWAP-C) systems. This paper will review developments in 2D electronic materials at the Army Research Laboratory over the last five years and discuss directions for future army applications.
Wang, Pengfei; Gaitanaros, Stavros; Lee, Seungwoo; Bathe, Mark; Shih, William M; Ke, Yonggang
2016-06-22
Scaffolded DNA origami has proven to be a versatile method for generating functional nanostructures with prescribed sub-100 nm shapes. Programming DNA-origami tiles to form large-scale 2D lattices that span hundreds of nanometers to the micrometer scale could provide an enabling platform for diverse applications ranging from metamaterials to surface-based biophysical assays. Toward this end, here we design a family of hexagonal DNA-origami tiles using computer-aided design and demonstrate successful self-assembly of micrometer-scale 2D honeycomb lattices and tubes by controlling their geometric and mechanical properties including their interconnecting strands. Our results offer insight into programmed self-assembly of low-defect supra-molecular DNA-origami 2D lattices and tubes. In addition, we demonstrate that these DNA-origami hexagon tiles and honeycomb lattices are versatile platforms for assembling optical metamaterials via programmable spatial arrangement of gold nanoparticles (AuNPs) into cluster and superlattice geometries. PMID:27224641
Room Temperature Quantum Spin Hall Insulators with a Buckled Square Lattice
NASA Astrophysics Data System (ADS)
Luo, Wei; Xiang, Hongjun
Two-dimensional (2D) topological insulators (TIs), are excellent candidates for coherent spin transport related applications Currently, most known 2D TIs are based on a hexagonal lattice. Here, we propose that there exists the quantum spin Hall effect (QSHE) in a new tight-binding (TB) model for a two-orbital system with the buckled square lattices. We show that the band inversion is due to the hybridization between thepx andpyorbitals, while the spin-orbit coupling (SOC) induced nearest-neighbor effective hopping is responsible for a band gap opening at the Dirac cone. Through performing global structure optimization, we predict a new three-layer quasi-2D (Q2D) structure which has the lowest energy among all structures with the thickness less than 6.0 Å for the BiF system. It is identified to be a Q2D TI with a large band gap (0.69 eV). The electronic states of the Q2D BiF system near the Fermi level are mainly contributed by the middle Bi square lattice, which are sandwiched by two inert BiF2 layers. This is beneficial since the interaction between a substrate and the Q2D material may not change the topological properties of the system, as we demonstrate in the case of the NaF substrate. Our analysis shows that the low-energy physics of the Q2D BiF system can be qualitatively described by our newly proposed two-orbital TB model. Our study not only predicts a Q2D QSH insulator for realistic room temperature (RT) applications, but also provides a new lattice system for engineering topological states such as quantum anomalous Hall effect.
Hexagonal OsB2 reduction upon heating in H2 containing environment
Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Payzant, E. Andrew
2014-10-23
The stability of hexagonal ReB2 type OsB2 powder upon heating under reforming gas was investigated. Pure Os metal particles were detected by powder X-ray diffraction starting at 375⁰ C and complete transformation of OsB2 to metallic Os was observed at 725⁰ C. The mechanisms of precipitation of metallic Os is proposed and changes in the lattice parameters of OsB2 upon heating are analysed in terms of the presence of oxygen or water vapour in the heating chamber. Previous studies suggested that Os atoms possess (0) valence, while B atoms possess both (+3) and ( 3) valences in the alternating boron/osmiummore » sheet structure of hexagonal (P63/mmc, No. 194) OsB2; if controllable method for Os removal from the lattice could be found, the opportunity would arise to form two-dimensional (2D) layers consisting of pure B atoms.« less
Duality Between Spin Networks and the 2D Ising Model
NASA Astrophysics Data System (ADS)
Bonzom, Valentin; Costantino, Francesco; Livine, Etera R.
2016-06-01
The goal of this paper is to exhibit a deep relation between the partition function of the Ising model on a planar trivalent graph and the generating series of the spin network evaluations on the same graph. We provide respectively a fermionic and a bosonic Gaussian integral formulation for each of these functions and we show that they are the inverse of each other (up to some explicit constants) by exhibiting a supersymmetry relating the two formulations. We investigate three aspects and applications of this duality. First, we propose higher order supersymmetric theories that couple the geometry of the spin networks to the Ising model and for which supersymmetric localization still holds. Secondly, after interpreting the generating function of spin network evaluations as the projection of a coherent state of loop quantum gravity onto the flat connection state, we find the probability distribution induced by that coherent state on the edge spins and study its stationary phase approximation. It is found that the stationary points correspond to the critical values of the couplings of the 2D Ising model, at least for isoradial graphs. Third, we analyze the mapping of the correlations of the Ising model to spin network observables, and describe the phase transition on those observables on the hexagonal lattice. This opens the door to many new possibilities, especially for the study of the coarse-graining and continuum limit of spin networks in the context of quantum gravity.
Competing structures in two dimensions: Square-to-hexagonal transition
NASA Astrophysics Data System (ADS)
Gränz, Barbara; Korshunov, Sergey E.; Geshkenbein, Vadim B.; Blatter, Gianni
2016-08-01
We study a system of particles in two dimensions interacting via a dipolar long-range potential D /r3 and subject to a square-lattice substrate potential V (r ) with amplitude V and lattice constant b . The isotropic interaction favors a hexagonal arrangement of the particles with lattice constant a , which competes against the square symmetry of the underlying substrate lattice. We determine the minimal-energy states at fixed external pressure p generating the commensurate density n =1 /b2=(4/3 ) 1 /2/a2 in the absence of thermal and quantum fluctuations, using both analytical techniques based on the harmonic and continuum elastic approximations as well as numerical relaxation of particle configurations. At large substrate amplitude V >0.2 eD, with eD=D /b3 the dipolar energy scale, the particles reside in the substrate minima and hence arrange in a square lattice. Upon decreasing V , the square lattice turns unstable with respect to a zone-boundary shear mode and deforms into a period-doubled zigzag lattice. Analytic and numerical results show that this period-doubled phase in turn becomes unstable at V ≈0.074 eD towards a nonuniform phase developing an array of domain walls or solitons; as the density of solitons increases, the particle arrangement approaches that of a rhombic (or isosceles triangular) lattice. At a yet smaller substrate value estimated as V ≈0.046 eD, a further solitonic transition establishes a second nonuniform phase which smoothly approaches the hexagonal (or equilateral triangular) lattice phase with vanishing amplitude V . At small but finite amplitude V , the hexagonal phase is distorted and hexatically locked at an angle of φ ≈3 .8∘ with respect to the substrate lattice. The square-to-hexagonal transformation in this two-dimensional commensurate-incommensurate system thus involves a complex pathway with various nontrivial lattice- and modulated phases.
Kasala, Kailash; Saravanamuttu, Kalaichelvi
2013-01-29
We report that incandescent beams patterned with amplitude depressions (dips) suffer instability in a photopolymerizable system and organize into lattices of black and bright self-trapped beams propagating respectively, through self-induced black and bright waveguides. Such optochemically organized lattices emerge when beams embedded with a hexagonal or square array of dips initiate free-radical polymerization and corresponding changes in refractive index (Δn) along their propagation paths. Under these nonlinear conditions, the dips evolve into a hexagonal or square lattice of black beams, while their bright interstitial regions become unstable and divide spontaneously into multiple filaments of light. These filaments have a characteristic diameter (d(f)) and organize into a variety of geometries, which are determined by the shape and dimensions of the bright interstices. At interstitial widths > 2d(f), filaments are randomly positioned in space, whereas at widths < 2d(f), the interstices are occupied by a single file of filaments encircling each dark channel. When the interstitial width ≈ d(f), the filaments organize into lattices with long-range hexagonal or square symmetry. By employing anisotropic interstices such as rectangles, filamentation can be selectively elicited along the long axis, leading to a lattice of filament doublets. This work demonstrates the versatility and significant potential of optochemical organization to generate complex, optically functional polymer lattices, which cannot be constructed through conventional lithography or self-assembly. Specifically, the study introduces a new generation of waveguide lattices, in which light propagation is co-operatively managed by black and bright waveguides; the former suppress local light propagation and, in this way, enhance light confinement and guidance in proximal bright waveguides. PMID:23252718
Rubin, Irwin
1978-01-01
A solar energy panel comprises a support upon which silicon cells are arrayed. The cells are wafer thin and of two geometrical types, both of the same area and electrical rating, namely hexagon cells and hourglass cells. The hourglass cells are composites of half hexagons. A near perfect nesting relationship of the cells achieves a high density packing whereby optimum energy production per panel area is achieved.
Optimized geometries for future generation optical lattice clocks
NASA Astrophysics Data System (ADS)
Krämer, S.; Ostermann, L.; Ritsch, H.
2016-04-01
Atoms deeply trapped in magic wavelength optical lattices provide a Doppler- and collision-free dense ensemble of quantum emitters ideal for high-precision spectroscopy and they are the basis of some of the best optical atomic clocks to date. However, despite their minute optical dipole moments the inherent long-range dipole-dipole interactions in such lattices still generate line shifts, dephasing and modified decay. We show that in a perfectly filled lattice line shifts and decay are resonantly enhanced depending on the lattice constant and geometry. Potentially, this yields clock shifts of many atomic linewidths and reduces the measurement by optimizing the lattice geometry. Such collective effects can be tailored to yield zero effective shifts and prolong dipole lifetimes beyond the single-atom decay. In particular, we identify dense 2D hexagonal or square lattices as the most promising configurations for an accuracy and precision well below the independent ensemble limit. This geometry should also be an ideal basis for related applications such as superradiant lasers, precision magnetometry or long-lived quantum memories.
2D Crystal heterostructures properties and growth by molecular beam epitaxy
NASA Astrophysics Data System (ADS)
Xing, Grace Huili
Two-dimensional (2D) crystals such as transition metal dichalcogenides (TMDs) along with other families of layered materials including graphene, SnSe2, GaSe, BN etc, has attracted intense attention from the scientific community. One monolayer of such materials represent the thinnest ``quantum wells''. These layered materials typically possess an in-plane hexagonal crystal structure, and can be stacked together by interlayer van der Waals interactions. Therefore, it is possible to create novel heterostructures by stacking materials with large lattice mismatches and different properties, for instance, superconductors (NbSe2) , metals, semi-metals (graphene), semiconductors (MoS2) and insulators (BN). Numerous novel material properties and device concepts have been discovered, proposed and demonstrated lately. However, the low internal photoluminescence efficiency (IPE, <1%) and low carrier mobility observed in the 2D semiconductors suggest strongly that the materials under investigation today most likely suffer from a high concentration of defects. In this talk, I will share our progress and the challenges we face in terms of preparing, characterizing these 2D crystals as well as pursuing their applications. This work has been supported in part by NSF, AFOSR and LEAST, one of the STARnet centers.
Domain wall kinetics of lithium niobate single crystals near the hexagonal corner
Choi, Ju Won; Ko, Do-Kyeong; Yu, Nan Ei E-mail: jhro@pnu.edu; Kitamura, Kenji; Ro, Jung Hoon E-mail: jhro@pnu.edu
2015-03-09
A mesospheric approach based on a simple microscopic 2D Ising model in a hexagonal lattice plane is proposed to explain macroscopic “asymmetric in-out domain wall motion” observation in the (0001) plane of MgO-doped stoichiometric lithium niobate. Under application of an electric field that was higher than the conventional coercive field (E{sub c}) to the ferroelectric crystal, a natural hexagonal domain was obtained with walls that were parallel to the Y-axis of the crystal. When a fraction of the coercive field of around 0.1E{sub c} is applied in the reverse direction, this hexagonal domain is shrunk (moved inward) from the corner site into a shape with a corner angle of around 150° and 15° wall slopes to the Y-axis. A flipped electric field of 0.15E{sub c} is then applied to recover the natural hexagonal shape, and the 150° corner shape changes into a flat wall with 30° slope (moved outward). The differences in corner domain shapes between inward and outward domain motion were analyzed theoretically in terms of corner and wall site energies, which are described using the domain corner angle and wall slope with respect to the crystal Y-axis, respectively. In the inward domain wall motion case, the energy levels of the evolving 150° domain corner and 15° slope walls are most competitive, and could co-exist. In the outward case, the energy levels of corners with angles >180° are highly stable when compared with the possible domain walls; only a flat wall with 30° slope to the Y-axis is possible during outward motion.
Hofmann, Martin; Anderssohn, Robert; Bahr, Hans-Achim; Weiß, Hans-Jürgen; Nellesen, Jens
2015-10-01
Basalt columns with their preferably hexagonal cross sections are a fascinating example of pattern formation by crack propagation. Junctions of three propagating crack faces rearrange such that the initial right angles between them tend to approach 120°, which enables the cracks to form a pattern of regular hexagons. To promote understanding of the path on which the ideal configuration can be reached, two periodically repeatable models are presented here involving linear elastic fracture mechanics and applying the principle of maximum energy release rate. They describe the evolution of the crack pattern as a transition from rectangular start configuration to the hexagonal pattern. This is done analytically and by means of three-dimensional finite element simulation. The latter technique reproduces the curved crack path involved in this transition. PMID:26550724
Energy Science and Technology Software Center (ESTSC)
2005-07-01
Aniso2d is a two-dimensional seismic forward modeling code. The earth is parameterized by an X-Z plane in which the seismic properties Can have monoclinic with x-z plane symmetry. The program uses a user define time-domain wavelet to produce synthetic seismograms anrwhere within the two-dimensional media.
Critical Surface of the Hexagonal Polygon Model
NASA Astrophysics Data System (ADS)
Grimmett, Geoffrey R.; Li, Zhongyang
2016-05-01
The hexagonal polygon model arises in a natural way via a transformation of the 1-2 model on the hexagonal lattice, and it is related to the high temperature expansion of the Ising model. There are three types of edge, and three corresponding parameters α ,β ,γ >0. By studying the long-range order of a certain two-edge correlation function, it is shown that the parameter space (0,∞)^3 may be divided into subcritical and supercritical regions, separated by critical surfaces satisfying an explicitly known formula. This result complements earlier work on the Ising model and the 1-2 model. The proof uses the Pfaffian representation of Fisher, Kasteleyn, and Temperley for the counts of dimers on planar graphs.
NASA Astrophysics Data System (ADS)
Kim, Hyun-Jung; Li, Chaokai; Feng, Ji; Zhang, Zhenyu; Cho, Jun-Hyung
The tuning of topological states is of significant fundamental and practical importance in contemporary condensed matter physics, for which the extension to two-dimensional (2D) organometallic systems is particularly attractive. Using first-principles calculations, we find that a 2D hexagonal triphenyl-lead lattice composed of only main group elements is susceptible to a magnetic instability, characterized by a antiferromagnetic (AFM) insulating state with a renormalized valley gaps with gap difference of 24 meV due to the spin and valley coupling. This AFM state will be subject to a anomalous valley Hall effect under the action of Berry curvature-induced spin and valley currents via, for example, injection of circularly polarized light. Furthermore, such a AFM band insulator can be tuned into a topologically nontrivial quantum anomalous Hall state with a Chern number of one by the application of an out-of-plane electric field. These findings further enrich our understanding of 2D hexagonal organometallic lattices for potential applications in spintronics and valleytronics.
Greg Flach, Frank Smith
2011-12-31
Mesh2d is a Fortran90 program designed to generate two-dimensional structured grids of the form [x(i),y(i,j)] where [x,y] are grid coordinates identified by indices (i,j). The x(i) coordinates alone can be used to specify a one-dimensional grid. Because the x-coordinates vary only with the i index, a two-dimensional grid is composed in part of straight vertical lines. However, the nominally horizontal y(i,j0) coordinates along index i are permitted to undulate or otherwise vary. Mesh2d also assigns an integer material type to each grid cell, mtyp(i,j), in a user-specified manner. The complete grid is specified through three separate input files defining the x(i), y(i,j), and mtyp(i,j) variations.
Energy Science and Technology Software Center (ESTSC)
2011-12-31
Mesh2d is a Fortran90 program designed to generate two-dimensional structured grids of the form [x(i),y(i,j)] where [x,y] are grid coordinates identified by indices (i,j). The x(i) coordinates alone can be used to specify a one-dimensional grid. Because the x-coordinates vary only with the i index, a two-dimensional grid is composed in part of straight vertical lines. However, the nominally horizontal y(i,j0) coordinates along index i are permitted to undulate or otherwise vary. Mesh2d also assignsmore » an integer material type to each grid cell, mtyp(i,j), in a user-specified manner. The complete grid is specified through three separate input files defining the x(i), y(i,j), and mtyp(i,j) variations.« less
NASA Astrophysics Data System (ADS)
Lotsch, Bettina V.
2015-07-01
Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.
Hexagonal OsB_{2} reduction upon heating in H_{2} containing environment
Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Payzant, E. Andrew
2014-10-23
The stability of hexagonal ReB_{2} type OsB_{2} powder upon heating under reforming gas was investigated. Pure Os metal particles were detected by powder X-ray diffraction starting at 375⁰ C and complete transformation of OsB_{2} to metallic Os was observed at 725⁰ C. The mechanisms of precipitation of metallic Os is proposed and changes in the lattice parameters of OsB_{2} upon heating are analysed in terms of the presence of oxygen or water vapour in the heating chamber. Previous studies suggested that Os atoms possess (0) valence, while B atoms possess both (+3) and ( 3) valences in the alternating boron/osmium sheet structure of hexagonal (P63/mmc, No. 194) OsB_{2}; if controllable method for Os removal from the lattice could be found, the opportunity would arise to form two-dimensional (2D) layers consisting of pure B atoms.
Peters, Roswell D. M.
1982-01-01
A generally flat, relatively thin AT-cut piezoelectric resonator element structured to minimize the force-frequency effect when mounted and energized in a housing. The resonator is in the form of an equilateral hexagon with the X crystallographic axis of the crystal passing through one set of opposing corners with mounting being effected at an adjacent set of corners respectively .+-.60.degree. away from the X axis which thereby results in a substantially zero frequency shift of the operating frequency.
Turing patterns beyond hexagons and stripes.
Yang, Lingfa; Dolnik, Milos; Zhabotinsky, Anatol M; Epstein, Irving R
2006-09-01
The best known Turing patterns are composed of stripes or simple hexagonal arrangements of spots. Until recently, Turing patterns with other geometries have been observed only rarely. Here we present experimental studies and mathematical modeling of the formation and stability of hexagonal and square Turing superlattice patterns in a photosensitive reaction-diffusion system. The superlattices develop from initial conditions created by illuminating the system through a mask consisting of a simple hexagonal or square lattice with a wavelength close to a multiple of the intrinsic Turing pattern's wavelength. We show that interaction of the photochemical periodic forcing with the Turing instability generates multiple spatial harmonics of the forcing patterns. The harmonics situated within the Turing instability band survive after the illumination is switched off and form superlattices. The square superlattices are the first examples of time-independent square Turing patterns. We also demonstrate that in a system where the Turing band is slightly below criticality, spatially uniform internal or external oscillations can create oscillating square patterns. PMID:17014248
Hexagonal uniformly redundant arrays for coded-aperture imaging
NASA Technical Reports Server (NTRS)
Finger, M. H.; Prince, T. A.
1985-01-01
Uniformly redundant arrays are used in coded-aperture imaging, a technique for forming images without mirrors or lenses. The URAs constructed on hexagonal lattices, are outlined. Details are presented for the construction of a special class of URAs, the skew-Hadamard URAs, which have the following properties: (1) nearly half open and half closed (2) antisymmetric upon rotation by 180 deg except for the central cell and its repetitions. Some of the skew-Hadamard URAs constructed on a hexagonal lattice have additional symmetries. These special URAs that have a hexagonal unit pattern, and are antisymmetric upon rotation by 60 deg, called hexagonal uniformly redundant arrays (HURAs). The HURAs are particularly suited to gamma-ray imaging in high background situations. In a high background situation the best sensitivity is obtained with a half open and half closed mask. The hexagonal symmetry of an HURA is more appropriate for a round position-sensitive detector or a closed-packed array of detectors than a rectangular symmetry.
Peters, R.D.M.
1982-11-02
A generally flat, relatively thin AT-cut piezoelectric resonator element structured to minimize the force-frequency effect when mounted and energized in a housing. The resonator is in the form of an equilateral hexagon with the X crystallographic axis of the crystal passing through one set of opposing corners with mounting being effected at an adjacent set of corners respectively [+-]60[degree] away from the X axis which thereby results in a substantially zero frequency shift of the operating frequency. 3 figs.
Room-Temperature Multiferroic Hexagonal LuFeO3
Cheng, Xuemei; Balke, Nina; Chi, Miaofang; Gai, Zheng; Keavney, David; Lee, Ho Nyung; Shen, Jian; Snijders, Paul C; Wang, Wenbin; Ward, Thomas Z; Xu, Xiaoshan; Yi, Jieyu; Zhu, Leyi; Christen, Hans M; Zhao, Jun
2013-01-01
We observed the coexistence of ferroelectricity and weak ferromagnetism at room temperature in the hexagonal phase of LuFeO3 stabilized by epitaxial thin film growth. While the ferroelectricity in hexagonal LuFeO3 can be understood as arising from its polar structure, the observation of weak ferromagnetism at room temperature is remarkable considering the frustrated triangular spin structure. An explanation of the room temperature weak ferromagnetism is proposed in terms of a subtle lattice distortion revealed by the structural characterization. The combination of ferroelectricity and weak ferromagnetism in epitaxial films at room temperature offers great potential for the application of this novel multiferroic material in next generation devices.
Hexagonal boron nitride: Ubiquitous layered dielectric for two-dimensional electronics
NASA Astrophysics Data System (ADS)
Jain, Nikhil
Hexagonal boron nitride (h-BN), a layer-structured dielectric with very similar crystalline lattice to that of graphene, has been studied as a ubiquitous dielectric for two-dimensional electronics. While 2D materials may lead to future platform for electronics, traditional thin-film dielectrics (e.g., various oxides) make highly invasive interface with graphene. Multiple key roles of h-BN in graphene electronics are explored in this thesis. 2D graphene/h-BN heterostructures are designed and implemented in diverse configurations in which h-BN is evaluated as a supporting substrate, a gate dielectric, a passivation layer, or an interposing barrier in "3D graphene" superlattice. First, CVD-grown graphene on h-BN substrate shows improved conductivity and resilience to thermally induced breakdown, as compared with graphene on SiO2, potentially useful for high-speed graphene devices and on-chip interconnects. h-BN is also explored as a gate dielectric for graphene field-effect transistor with 2D heterostructure design. The dielectric strength and tunneling behavior of h-BN are investigated, confirming its robust nature. Next, h-BN is studied as a passivation layer for graphene electronics. In addition to significant improvement in current density and breakdown threshold, fully encapsulated graphene exhibits minimal environmental sensitivity, a key benefit to 2D materials which have only surfaces. Lastly, reduction in interlayer carrier scattering is observed in a double-layered graphene setup with ultrathin h-BN multilayer as an interposing layer. The DFT simulation and Raman spectral analysis indicate reduction in interlayer scattering. The decoupling of the two graphene monolayers is further confirmed by electrical characterization, as compared with other referencing mono- and multilayer configurations. The heterostructure serves as the building element in "3D graphene", a versatile platform for future electronics.
Localized surface plasmon effects of two dimensional lattice of metal nanoislands
NASA Astrophysics Data System (ADS)
Oda, Yukari; Shimada, Ryoko; Japan Women's University Team
2015-03-01
Localized surface plasmon (LSP) of metal nanoparticles results from non-propagating excitation of their conduction electrons coupled to the electromagnetic field. LSP localizes the electric field and enhances light emission from fluorescent materials. In this study, a two dimensional (2D) lattice of silver (Ag) nanoislands was fabricated by nanosphere lithography (NSL) method utilizing self-assembled, close-packed hexagonal structures of polystyrene spheres as the etching mask. This 2D lattice was subjected to the electric field for investigating a role of the periodicity of metal islands in the LSP effect. 9,10-di(2-naphthyl) anthracene (ADN), a well-known blue-emitting material in the field of electroluminescence, was used for the study of the enhancement of emission due to the LSP effect. Hybrid thin films of poly(methyl methacrylate) containing ADN were prepared with spin-casting onto the 2D lattice of Ag nanoislands. Transmission and photoluminescence measurements were conducted for these hybrid thin films at room temperature. Detailed results will be presented on site.
Microwave Assisted 2D Materials Exfoliation
NASA Astrophysics Data System (ADS)
Wang, Yanbin
Two-dimensional materials have emerged as extremely important materials with applications ranging from energy and environmental science to electronics and biology. Here we report our discovery of a universal, ultrafast, green, solvo-thermal technology for producing excellent-quality, few-layered nanosheets in liquid phase from well-known 2D materials such as such hexagonal boron nitride (h-BN), graphite, and MoS2. We start by mixing the uniform bulk-layered material with a common organic solvent that matches its surface energy to reduce the van der Waals attractive interactions between the layers; next, the solutions are heated in a commercial microwave oven to overcome the energy barrier between bulk and few-layers states. We discovered the minutes-long rapid exfoliation process is highly temperature dependent, which requires precise thermal management to obtain high-quality inks. We hypothesize a possible mechanism of this proposed solvo-thermal process; our theory confirms the basis of this novel technique for exfoliation of high-quality, layered 2D materials by using an as yet unknown role of the solvent.
Ab initio engineering of materials with stacked hexagonal tin frameworks.
Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N
2016-01-01
The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator. PMID:27387140
Ab initio engineering of materials with stacked hexagonal tin frameworks
Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.
2016-01-01
The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator. PMID:27387140
Ab initio engineering of materials with stacked hexagonal tin frameworks
NASA Astrophysics Data System (ADS)
Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.
2016-07-01
The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator.
NASA Astrophysics Data System (ADS)
Wang, Jin; Ma, Jianyong; Zhou, Changhe
2014-11-01
A 3×3 high divergent 2D-grating with period of 3.842μm at wavelength of 850nm under normal incidence is designed and fabricated in this paper. This high divergent 2D-grating is designed by the vector theory. The Rigorous Coupled Wave Analysis (RCWA) in association with the simulated annealing (SA) is adopted to calculate and optimize this 2D-grating.The properties of this grating are also investigated by the RCWA. The diffraction angles are more than 10 degrees in the whole wavelength band, which are bigger than the traditional 2D-grating. In addition, the small period of grating increases the difficulties of fabrication. So we fabricate the 2D-gratings by direct laser writing (DLW) instead of traditional manufacturing method. Then the method of ICP etching is used to obtain the high divergent 2D-grating.
On the perfect hexagonal packing of rods
NASA Astrophysics Data System (ADS)
Starostin, E. L.
2006-04-01
In most cases the hexagonal packing of fibrous structures or rods extremizes the energy of interaction between strands. If the strands are not straight, then it is still possible to form a perfect hexatic bundle. Conditions under which the perfect hexagonal packing of curved tubular structures may exist are formulated. Particular attention is given to closed or cycled arrangements of the rods like in the DNA toroids and spools. The closure or return constraints of the bundle result in an allowable group of automorphisms of the cross-sectional hexagonal lattice. The structure of this group is explored. Examples of open helical-like and closed toroidal-like bundles are presented. An expression for the elastic energy of a perfectly packed bundle of thin elastic rods is derived. The energy accounts for both the bending and torsional stiffnesses of the rods. It is shown that equilibria of the bundle correspond to solutions of a variational problem formulated for the curve representing the axis of the bundle. The functional involves a function of the squared curvature under the constraints on the total torsion and the length. The Euler-Lagrange equations are obtained in terms of curvature and torsion and due to the existence of the first integrals the problem is reduced to the quadrature. The three-dimensional shape of the bundle may be readily reconstructed by integration of the Ilyukhin-type equations in special cylindrical coordinates. The results are of universal nature and are applicable to various fibrous structures, in particular, to intramolecular liquid crystals formed by DNA condensed in toroids or packed inside the viral capsids. International Workshop on Biopolymers: Thermodynamics, Kinetics and Mechanics of DNA, RNA and Proteins, 30.05.2005-3.06.2005, The Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy.
NASA Astrophysics Data System (ADS)
Sánchez-Cano, R.; Porras-Montenegro, N.
2016-04-01
We present numerical predictions for the photonic TE-like band gap ratio and the quality factors of symmetric localized defect as a function of the thickness slab and temperature by the use of plane wave expansion and the finite-difference time-domain methods. The photonic-crystal hole slab is composed of a 2D hexagonal array with identical air holes and a circular cross section, embedded in a non-dispersive III-V semiconductor quaternary alloy slab, which has a high value of dielectric function in the near-infrared region, and the symmetric defect is formed by increasing the radius of a single hole in the 2D hexagonal lattice. We show that the band gap ratio depends linearly on the temperature in the range 150-400 K. Our results show a strong temperature dependence of the quality factor Q, the maximum (Q = 7000) is reached at T = 350 hbox {K}, but if the temperature continues to increase, the efficiency drops sharply. Furthermore, we present numerical predictions for the electromagnetic field distribution at T = 350 hbox {K}.
Structural properties of hexagonal boron nitride
NASA Astrophysics Data System (ADS)
Ooi, N.; Rajan, V.; Gottlieb, J.; Catherine, Y.; Adams, J. B.
2006-04-01
The electronic and structural properties of hexagonal boron nitride (BN) were studied using density functional theory calculations. Three different approximations for the exchange—correlation energy (the local density and two forms of the generalized gradient)—were used to calculate properties such as the bulk modulus, cohesive energy and lattice constants to determine their relative predictive abilities for this system. In general, calculations using the local density approximation produced properties slightly closer to experimental values than calculations with either generalized gradient approximations. Different stackings, or arrangements of one basal plane with respect to another, were examined to determine the equilibrium stacking(s) and it was found that the different stackings have similar cohesive energies and bulk moduli. Energy versus volume curves were calculated for each stacking using two different methods to determine their relative efficacy. Bulk moduli values obtained assuming no pressure dependence were closer to experimental values than those obtained from three common equations of state. Comparisons between the cohesive energies of hexagonal BN and cubic BN show that the cubic phase is more stable. The pressure/volume dependence of the band structure was studied for several different stackings and all showed similar behaviour, specifically a 3-4.5 eV band gap that was nearly independent of pressure in the -500 to +500 kb regime. These calculated results of the pressure/volume dependence of the band structure are the first reports for this system.
2D materials for photon conversion and nanophotonics
NASA Astrophysics Data System (ADS)
Tahersima, Mohammad H.; Sorger, Volker J.
2015-09-01
The field of two-dimensional (2D) materials has the potential to enable unique applications across a wide range of the electromagnetic spectrum. While 2D-layered materials hold promise for next-generation photon-conversion intrinsic limitations and challenges exist that shall be overcome. Here we discuss the intrinsic limitations as well as application opportunities of this new class of materials, and is sponsored by the NSF program Designing Materials to Revolutionize and Engineer our Future (DMREF) program, which links to the President's Materials Genome Initiative. We present general material-related details for photon conversion, and show that taking advantage of the mechanical flexibility of 2D materials by rolling MoS2/graphene/hexagonal boron nitride stack to a spiral solar cell allows for solar absorption up to 90%.
The directed cooperative assembly of proteorhodopsin into 2D and 3D polarized arrays
Liang, Hongjun; Whited, Gregg; Nguyen, Chi; Stucky, Galen D.
2007-01-01
Proteorhodopsin is the membrane protein used by marine bacterioplankton as a light-driven proton pump. Here, we describe a rapid cooperative assembly process directed by universal electrostatic interactions that spontaneously organizes proteorhodopsin molecules into ordered arrays with well defined orientation and packing density. We demonstrate the charge density-matching mechanism that selectively controls the assembly process. The interactions among different components in the system are tuned by varying their charge densities to yield different organized transmembrane protein arrays: (i) a bacteriorhodopsin purple membrane-like structure where proteorhodopsin molecules are cooperatively arranged with charged lipids into a 2D hexagonal lattice; (ii) selected liquid-crystalline states in which crystalline lamellae made up of the coassembled proteorhodopsin and charged lipid molecules are coupled three-dimensionally with polarized proteorhodopsin orientation persisting through the macroscopic scale. Understanding this rapid electrostatically driven assembly process sheds light on organizing membrane proteins in general, which is a prerequisite for membrane protein structural and mechanistic studies as well as in vitro applications. PMID:17488827
Lattice-resolution imaging of the sapphire (0 0 0 1) surface in air by AFM
NASA Astrophysics Data System (ADS)
Gan, Yang; Wanless, Erica J.; Franks, George V.
2007-02-01
Lattice-resolution images of single-crystal α-alumina (sapphire) (0 0 0 1) surfaces have been obtained using contact-mode AFM under ambient conditions. It was found that the hexagonal surface lattice has a periodicity of 0.47 ± 0.11 nm, which is identical to that reported previously when the same surface was imaged in water. Large lattice corrugations (as high as 1 nm) were observed, but were concluded to be imaging artifacts because of the strong friction which causes additional deflection of the cantilever. The additional deflection of the cantilever is registered by the detector of the optical beam-deflection AFM resulting in an overestimation of the height at each lattice point. Abrupt changes were also resolved in the topography including honeycomb patterns and a transition from 2D lattices to 1D parallel stripes, with scanning direction. These phenomena can be explained by the commensurate sliding between the tip and sapphire surface due to the strong contact force.
NASA Technical Reports Server (NTRS)
Park, Yeonjoon (Inventor); Choi, Sang H. (Inventor); King, Glen C. (Inventor)
2011-01-01
Hetero-epitaxial semiconductor materials comprising cubic crystalline semiconductor alloys grown on the basal plane of trigonal and hexagonal substrates, in which misfit dislocations are reduced by approximate lattice matching of the cubic crystal structure to underlying trigonal or hexagonal substrate structure, enabling the development of alloyed semiconductor layers of greater thickness, resulting in a new class of semiconductor materials and corresponding devices, including improved hetero-bipolar and high-electron mobility transistors, and high-mobility thermoelectric devices.
Kang, Joongoo; Zhang, Lijun; Wei, Su-Huai
2016-02-18
Many important layered semiconductors, such as hexagonal boron nitride (hBN) and transition-metal dichalcogenides (TMDs), are derived from a hexagonal lattice. A single layer of such hexagonal semiconductors generally has a direct bandgap at the high-symmetry point K, whereas it becomes an indirect, optically inactive semiconductor as the number of layers increases to two or more. Here, taking hBN and MoS2 as examples, we reveal the microscopic origin of the direct-to-indirect bandgap transition of hexagonal layered materials. Our symmetry analysis and first-principles calculations show that the bandgap transition arises from the lack of the interlayer orbital couplings for the band-edge states at K, which are inherently weak because of the crystal symmetries of hexagonal layered materials. Therefore, it is necessary to judiciously break the underlying crystal symmetries to design more optically active, multilayered semiconductors from hBN or TMDs. PMID:26800573
An Explanation for Saturn's Hexagon
NASA Astrophysics Data System (ADS)
Kohler, Susanna
2015-08-01
For over three decades, weve been gathering observations of the mysterious hexagonal cloud pattern encircling Saturns north pole. Now, researchers believe they have a model that can better explain its formation.Fascinating GeometrySaturns northern Hexagon is a cloud band circling Saturns north pole at 78 N, first observed by the Voyager flybys in 198081. This remarkable pattern has now persisted for more than a Saturn year (29.5 Earth years).Eight frames demonstrating the motion within Saturns Hexagon. Click to watch the animation! The view is from a reference frame rotating with Saturn. [NASA/JPL-Caltech/SSI/Hampton University]Observations by Voyager and, more recently, Cassini have helped to identify many key characteristics of this bizarre structure. Two interesting things weve learned are:The Hexagon is associated with an eastward zonal jet moving at more than 200 mph.The cause of the Hexagon is believed to be a jet stream, similar to the ones that we experience on Earth. The path of the jet itself appears to follow the hexagons outline.The Hexagon rotates at roughly the same rate as Saturns overall rotation.While we observe individual storms and cloud patterns moving at different speeds within the Hexagon, the vertices of the Hexagon move at almost exactly the same rotational speed as that of Saturn itself.Attempts to model the formation of the Hexagon with a jet stream have yet to fully reproduce all of the observed features and behavior. But now, a team led by Ral Morales-Juberas of the New Mexico Institute of Mining and Technology believes they have created a model that better matches what we see.Simulating a Meandering JetThe team ran a series of simulations of an eastward, Gaussian-profile jet around Saturns pole. They introduced small perturbations to the jet and demonstrated that, as a result of the perturbations, the jet can meander into a hexagonal shape. With the initial conditions of the teams model, the meandering jet is able to settle into a
Thermal stability of hexagonal OsB2
Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A; Payzant, E Andrew
2014-01-01
The synthesis of novel hexagonal ReB2-type OsB2 ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of 10B and 11B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched 11B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB2 phase was the main product of synthesis with a small quantity of Os2B3 phase present after synthesis as an intermediate product. In the second case, where coarse crystalline 11B powder was used as a raw material, only Os2B3 boride was synthesized mechanochemically. The thermal stability of hexagonal OsB2 powder was studied by heating under argon up to 876 C and cooling in vacuo down to 225 C. During the heating, the sacrificial reaction 2OsB2+3O2 2Os+2B2O3 took place due to presence of O2/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B2O3 and precipitation of Os metal out of the OsB2 lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB2 changed significantly. The shrinkage of the a lattice parameter was recorded in 276 426 C temperature range upon heating, which was attributed to the removal of B atoms from the OsB2 lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O2, the hexagonal OsB2 ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice parameters and no phase changes detected during cooling.
Energy Science and Technology Software Center (ESTSC)
2004-08-01
AnisWave2D is a 2D finite-difference code for a simulating seismic wave propagation in fully anisotropic materials. The code is implemented to run in parallel over multiple processors and is fully portable. A mesh refinement algorithm has been utilized to allow the grid-spacing to be tailored to the velocity model, avoiding the over-sampling of high-velocity materials that usually occurs in fixed-grid schemes.
Phase Engineering of 2D Tin Sulfides.
Mutlu, Zafer; Wu, Ryan J; Wickramaratne, Darshana; Shahrezaei, Sina; Liu, Chueh; Temiz, Selcuk; Patalano, Andrew; Ozkan, Mihrimah; Lake, Roger K; Mkhoyan, K A; Ozkan, Cengiz S
2016-06-01
Tin sulfides can exist in a variety of phases and polytypes due to the different oxidation states of Sn. A subset of these phases and polytypes take the form of layered 2D structures that give rise to a wide host of electronic and optical properties. Hence, achieving control over the phase, polytype, and thickness of tin sulfides is necessary to utilize this wide range of properties exhibited by the compound. This study reports on phase-selective growth of both hexagonal tin (IV) sulfide SnS2 and orthorhombic tin (II) sulfide SnS crystals with diameters of over tens of microns on SiO2 substrates through atmospheric pressure vapor-phase method in a conventional horizontal quartz tube furnace with SnO2 and S powders as the source materials. Detailed characterization of each phase of tin sulfide crystals is performed using various microscopy and spectroscopy methods, and the results are corroborated by ab initio density functional theory calculations. PMID:27099950
Uehara, Kazuhiro; Oishi, Takamichi; Hirose, Takayuki; Mizuno, Noritaka
2013-10-01
Structural control among hexagonal (trimer), rhomboidal (dimer), and infinite-chain supramolecular complexes with three different supporting ligands of ethylenediamine (en), N,N,N',N'-tetramethylethylenediamine (en*), and 1,2-bis(diphenyl)phosphinoethane (dppe) [(en)Pd(L)]3(OTf)6 1t·OTf, [(en*)Pd(L)]2(PF6)4 2d·PF6, and [(dppe)Pd(L)(OTf)2]∞ 3·OTf (OTf = trifluoromethane sulfonate; L = 1,3-bis(4-pyridylethynyl)benzene) in the solid and solution states was investigated. The encapsulation of a large Keggin-type polyoxometalate [α-PW12O40](3-) by these complexes was also examined. As the steric bulkiness of the supporting ligands increased in the order of en < en* < dppe, the hexagonal, rhomboidal, and infinite-chain structures were obtained, as confirmed by X-ray crystallography. In solution, equilibrium between the molecular hexagon (1t·OTf/2t·PF6) and the molecular rhomboid (1d·OTf/2d·PF6) was observed in the en/en* ligand systems, whereas 3·OTf with the dppe ligand did not exhibit equilibrium and instead existed as a single species. These phenomena were established by cold-spray ionization mass spectroscopy (CSI-MS) and (1)H diffusion ordered NMR spectroscopy (DOSY). The addition of the highly negatively charged Keggin-type phosphododecatungstate [α-PW12O40](3-) to a solution of 2t/2d·PF6 resulted in the encapsulation of the tungstate species in the cavity of the molecular hexagon to form {[(en*)Pd(L)]3[⊃α-PW12O40]}(PF6)3 2t·[α-PW12O40](3-), as confirmed by a combination of (1)H and (31)P DOSY and CSI-MS spectral data. PMID:24050509
Structural analysis of Li-intercalated hexagonal boron nitride
Sumiyoshi, A.; Hyodo, H.; Kimura, K.
2012-03-15
A structural investigation of Li-intercalated hexagonal boron nitride (Li-h-BNIC) was performed by synchrotron powder X-ray diffraction analysis and transmission electron microscopy. The host BN framework of Li-h-BNIC was expanded by Li-intercalation. The intralayer B-N bond length was increased by 2.48(1)% and the interlayer distance was expanded by 12.86(1)%. No superlattice structure of intercalated Li was observed. - Graphical abstract: XRD pattern fitting of the sample and schematic view of host h-BN lattice. Highlights: Black-Right-Pointing-Pointer Li-intercalated h-BN was investigated by synchrotron radiation powder XRD. Black-Right-Pointing-Pointer Lattice parameter of host h-BN lattice was increased by intercalation. Black-Right-Pointing-Pointer Increase ratio of B-N bond length was considerably larger than those of Li GICs.
EBSD study of substrate-mediated growth of hexagonal boron nitride
NASA Astrophysics Data System (ADS)
Dias, J.; Kidambi, P. R.; Hofmann, S.; Ducati, C.
2014-06-01
Hexagonal Boron Nitride (h-BN) is a promising insulating material to complement and enable graphene electronics. Given the good lattice match to graphite, graphene/h-BN heterostructures may be grown with negligible amounts of strain and defect states, resulting in high carrier mobilities approaching values for suspended graphene. Chemical vapour deposition (CVD) has emerged as one of the preferred routes for the synthesis of 2D materials for electronic applications. Here we report on the growth of h-BN by low pressure CVD, using borazine as a precursor. Electron backscattered diffraction (EBSD) in conjunction with topographic imaging in the scanning electron microscope are used to investigate the change in crystal structure and orientation of three metallic catalyst substrates: Co, Ni and Cu, by high temperature processing and the growth of nanoscale h-BN domains. The behaviour of the metal foils is interpreted in light of the prevalent growth models. EBSD and imaging conditions are optimized to allow efficient acquisitions for these composite and nanostructured specimens.
Liquid phase deposition synthesis of hexagonal molybdenum trioxide thin films
Deki, Shigehito; Beleke, Alexis Bienvenu; Kotani, Yuki; Mizuhata, Minoru
2009-09-15
Hexagonal molybdenum trioxide thin films with good crystallinity and high purity have been fabricated by the liquid phase deposition (LPD) technique using molybdic acid (H{sub 2}MoO{sub 4}) dissolved in 2.82% hydrofluoric acid (HF) and H{sub 3}BO{sub 3} as precursors. The crystal was found to belong to a hexagonal hydrate system MoO{sub 3}.nH{sub 2}O (napprox0.56). The unit cell lattice parameters are a=10.651 A, c=3.725 A and V=365.997 A{sup 3}. Scanning electron microscope (SEM) images of the as-deposited samples showed well-shaped hexagonal rods nuclei that grew and where the amount increased with increase in reaction time. X-ray photon electron spectroscopy (XPS) spectra showed a Gaussian shape of the doublet of Mo 3d core level, indicating the presence of Mo{sup 6+} oxidation state in the deposited films. The deposited films exhibited an electrochromic behavior by lithium intercalation and deintercalation, which resulted in coloration and bleaching of the film. Upon dehydration at about 450 deg. C, the hexagonal MoO{sub 3}.nH{sub 2}O was transformed into the thermodynamically stable orthorhombic phase. - Abstract: SEM photograph of typical h-MoO{sub 3}.nH{sub 2}O thin film nuclei obtained after 36 h at 40 deg. C by the LPD method. Display Omitted
Stability of skyrmion lattices and symmetries of Dzyaloshinskii-Moriya magnets
NASA Astrophysics Data System (ADS)
Güngördü, Utkan; Nepal, Rabindra; Tretiakov, Oleg A.; Belashchenko, Kirill; Kovalev, Alexey A.
Recently, there has been substantial interest in realizations of skyrmions, in particular in 2D systems due to increased stability resulting from reduced dimensionality. A stable skyrmion, representing the smallest realizable magnetic texture, could be an ideal element for ultra-dense magnetic memories. Here, we use the most general form of the 2D free energy with Dzyaloshinskii-Moriya interactions constructed from general symmetry considerations reflecting the underlying system. We predict that skyrmion phase is robust and it is present even when the system lacks the in-plane rotational symmetry. In fact, the lowered symmetry leads to increased stability of vortex-antivortex lattices with four-fold symmetry and in-plane spirals, in some instances even in the absence of an external magnetic field. Our results relate different hexagonal and square cell phases to the symmetries of materials used for realizations of skyrmions. This will give clear directions for experimental rea lizations of hexagonal and square cell phases, and will allow engineering of skyrmions with unusual properties. We also predict striking differences in gyro-dynamics induced by spin currents for isolated skyrmions and for crystals where spin currents can be induced by charge carriers or by thermal magnons. DOE Early Career Award DE-SC0014189, NSF Grants Nos. Phy-1415600, PHY11-25915, DMR-1420645, and DMR-1308751; Grants-in-Aid from MEXT and SpinNet (Nos. 25800184, 25247056, and 15H01009).
Stability of skyrmion lattices and symmetries of quasi-two-dimensional chiral magnets
Gungordu, Utkan; Nepal, Rabindra; Tretiakov, Oleg A.; Belashchenko, Kirill; Kovalev, Alexey A.
2016-02-24
Recently there has been substantial interest in realizations of skyrmions, in particular in quasi-two-dimensional (2D) systems due to increased stability resulting from reduced dimensionality. A stable skyrmion, representing the smallest realizable magnetic texture, could be an ideal element for ultradense magnetic memories. Here we use the most general form of the quasi-2D free energy with Dzyaloshinskii-Moriya interactions constructed from general symmetry considerations reflecting the underlying system. We predict that the skyrmion phase is robust and it is present even when the system lacks the in-plane rotational symmetry. In fact, the lowered symmetry leads to increased stability of vortex-antivortex lattices withmore » fourfold symmetry and in-plane spirals, in some instances even in the absence of an external magnetic field. Our results relate different hexagonal and square cell phases to the symmetries of materials used for realizations of skyrmions. This will give clear directions for experimental realizations of hexagonal and square cell phases, and will allow engineering of skyrmions with unusual properties. We also predict striking differences in gyrodynamics induced by spin currents for isolated skyrmions and for crystals where spin currents can be induced by charge carriers or by thermal magnons. As a result, we find that under certain conditions, isolated skyrmions can move along the current without a side motion which can have implications for realizations of magnetic memories.« less
Stability of skyrmion lattices and symmetries of quasi-two-dimensional chiral magnets
NASA Astrophysics Data System (ADS)
Güngördü, Utkan; Nepal, Rabindra; Tretiakov, Oleg A.; Belashchenko, Kirill; Kovalev, Alexey A.
2016-02-01
Recently there has been substantial interest in realizations of skyrmions, in particular in quasi-two-dimensional (2D) systems due to increased stability resulting from reduced dimensionality. A stable skyrmion, representing the smallest realizable magnetic texture, could be an ideal element for ultradense magnetic memories. Here we use the most general form of the quasi-2D free energy with Dzyaloshinskii-Moriya interactions constructed from general symmetry considerations reflecting the underlying system. We predict that the skyrmion phase is robust and it is present even when the system lacks the in-plane rotational symmetry. In fact, the lowered symmetry leads to increased stability of vortex-antivortex lattices with fourfold symmetry and in-plane spirals, in some instances even in the absence of an external magnetic field. Our results relate different hexagonal and square cell phases to the symmetries of materials used for realizations of skyrmions. This will give clear directions for experimental realizations of hexagonal and square cell phases, and will allow engineering of skyrmions with unusual properties. We also predict striking differences in gyrodynamics induced by spin currents for isolated skyrmions and for crystals where spin currents can be induced by charge carriers or by thermal magnons. We find that under certain conditions, isolated skyrmions can move along the current without a side motion which can have implications for realizations of magnetic memories.
2D ice from first principles: structures and phase transitions
NASA Astrophysics Data System (ADS)
Chen, Ji; Schusteritsch, Georg; Pickard, Chris J.; Salzmann, Christoph G.; Michaelides, Angelos
Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps in the understanding of the structures and phase transitions of low-dimensional water ice remain. Here we report a first principles study of confined 2D ice as a function of pressure. We find that at ambient pressure hexagonal and pentagonal monolayer structures are the two lowest enthalpy phases identified. Upon mild compression the pentagonal structure becomes the most stable and persists up to ca. 2 GPa at which point square and rhombic phases are stable. The square phase agrees with recent experimental observations of square ice confined within graphene sheets. We also find a double layer AA stacked square ice phase, which clarifies the difference between experimental observations and earlier force field simulations. This work provides a fresh perspective on 2D confined ice, highlighting the sensitivity of the structures observed to both the confining pressure and width.
Hexagonal liquid crystal lens array for 3D endoscopy.
Hassanfiroozi, Amir; Huang, Yi-Pai; Javidi, Bahram; Shieh, Han-Ping D
2015-01-26
A liquid crystal lens array with a hexagonal arrangement is investigated experimentally. The uniqueness of this study exists in the fact that using convex-ring electrode provides a smooth and controllable applied potential profile across the aperture to manage the phase profile. We observed considerable differences between flat electrode and convex-ring electrode; in particular the lens focal length is variable in a wider range from 2.5cm to infinity. This study presents several noteworthy characteristics such as low driving voltage; 30 μm cell gap and the lens is electrically switchable between 2D/3D modes. We demonstrate a hexagonal LC-lens array for capturing 3D images by using single sensor using integral imaging. PMID:25835856
NASA Astrophysics Data System (ADS)
Mayor, Louise
2016-05-01
Graphene might be the most famous example, but there are other 2D materials and compounds too. Louise Mayor explains how these atomically thin sheets can be layered together to create flexible “van der Waals heterostructures”, which could lead to a range of novel applications.
Thermal conductivity measurements in a 2D Yukawa system
NASA Astrophysics Data System (ADS)
Nosenko, V.; Ivlev, A.; Zhdanov, S.; Morfill, G.; Goree, J.; Piel, A.
2007-03-01
Thermal conductivity was measured for a 2D Yukawa system. First, we formed a monolayer suspension of microspheres in a plasma, i.e., a dusty plasma, which is like a colloidal suspension, but with an extremely low volume fraction and a partially-ionized rarefied gas instead of solvent. In the absence of manipulation, the suspension forms a 2D triangular lattice. To melt this lattice and form a liquid, we used a laser-heating method. Two focused laser beams were moved rapidly around in the monolayer. The kinetic temperature of the particles increased with the laser power applied, and above a threshold a melting transition occurred. We used digital video microscopy for direct imaging and particle tracking. The spatial profiles of the particle kinetic temperature were calculated. Using the heat transport equation with an additional term to account for the energy dissipation due to the gas drag, we analyzed the temperature distribution to derive the thermal conductivity.
Thermal stability of hexagonal OsB{sub 2}
Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A.; Andrew Payzant, E.
2014-11-15
The synthesis of novel hexagonal ReB{sub 2}-type OsB{sub 2} ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of {sup 10}B and {sup 11}B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched {sup 11}B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB{sub 2} phase was the main product of synthesis with a small quantity of Os{sub 2}B{sub 3} phase present after synthesis as an intermediate product. In the second case, where coarse crystalline {sup 11}B powder was used as a raw material, only Os{sub 2}B{sub 3} boride was synthesized mechanochemically. The thermal stability of hexagonal OsB{sub 2} powder was studied by heating under argon up to 876 °C and cooling in vacuo down to −225 °C. During the heating, the sacrificial reaction 2OsB{sub 2}+3O{sub 2}→2Os+2B{sub 2}O{sub 3} took place due to presence of O{sub 2}/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B{sub 2}O{sub 3} and precipitation of Os metal out of the OsB{sub 2} lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB{sub 2} changed significantly. The shrinkage of the a lattice parameter was recorded in 276–426 °C temperature range upon heating, which was attributed to the removal of B atoms from the OsB{sub 2} lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O{sub 2}, the hexagonal OsB{sub 2} ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice
The interface between ferroelectric and 2D material for a Ferroelectric Field-Effect Transistor
NASA Astrophysics Data System (ADS)
Park, Nahee; Kang, Haeyong; Lee, Sang-Goo; Lee, Young Hee; Suh, Dongseok
We have studied electrical property of ferroelectric field-effect transistor which consists of graphene on hexagonal Boron-Nitride (h-BN) gated by a ferroelectric, PMN-PT (i.e. (1-x)Pb(Mg1/3Nb2/3) O3-xPbTiO3) single-crystal substrate. The PMN-PT was expected to have an effect on polarization field into the graphene channel and to induce a giant amount of surface charge. The hexagonal Boron-Nitride (h-BN) flake was directly exfoliated on the PMN-PT substrate for preventing graphene from directly contacting on the PMN-PT substrate. It can make us to observe the effect of the interface between ferroelectric and 2D material on the device operation. Monolayer graphene as 2D channel material, which was confirmed by Raman spectroscopy, was transferred on top of the hexagonal Boron-Nitride (h-BN) by using the conventional dry-transfer method. Here, we can demonstrate that the structure of graphene/hexagonal-BN/ferroelectric field-effect transistor makes us to clearly understand the device operation as well as the interface between ferroelectric and 2D materials by inserting h-BN between them. The phenomena such as anti-hysteresis, current saturation behavior, and hump-like increase of channel current, will be discussed by in terms of ferroelectric switching, polarization-assisted charge trapping.
Hexagonal diamonds in meteorites: implications.
Hanneman, R E; Strong, H M; Bundy, F P
1967-02-24
A new polymorph of carbon, hexagonal diamond, has been discovered in the Canyon Diablo and Goalpara meteorites. This phase had been synthesized recently under specific high-pressure conditions in the laboratory. Our results: provide strong evidence that diamonds found in these meteorites were produced by intense shock pressures acting on crystalline graphite inclusions present within the meteorite before impact, rather than by disintegration of larger, statically grown diamonds, as some theories propose. PMID:17830485
Energy Science and Technology Software Center (ESTSC)
2001-01-31
This software reduces the data from two-dimensional kSA MOS program, k-Space Associates, Ann Arbor, MI. Initial MOS data is recorded without headers in 38 columns, with one row of data per acquisition per lase beam tracked. The final MOSS 2d data file is reduced, graphed, and saved in a tab-delimited column format with headers that can be plotted in any graphing software.
Phase transformation of strontium hexagonal ferrite
NASA Astrophysics Data System (ADS)
Bilovol, V.; Martínez-García, R.
2015-11-01
The phase transformation of strontium hexagonal ferrite (SrFe12O19) to magnetite (Fe3O4) as main phase and strontium carbonate (SrCO3) as secondary phase is reported here. SrFe12O19 powder was obtained by a heat treatment at 250 °C under controlled oxygen flow. It was observed that the phase transformation occurred when the SrFe12O19 ferrite was heated up to 625 °C in confinement conditions. This transformation took place by a combination of three factors: the presence of stresses in the crystal lattice of SrFe12O19 due to a low synthesis temperature, the reduction of Fe3+ to Fe2+ during the heating up to 625 °C, and the similarity of the coordination spheres of the iron atoms present in the S-block of SrFe12O19 and Fe3O4. X-ray diffraction analysis confirmed the existence of strain and crystal deformation in SrFe12O19 and the absence of them in the material after the phase transformation. Dispersive X-ray absorption spectroscopy and Fe57 Mössbauer spectroscopy provided evidences of the reduction of Fe3+ to Fe2+ in the SrFe12O19 crystal.
Fluorescent Defects in Hexagonal Boron Nitride
NASA Astrophysics Data System (ADS)
Exarhos, Annemarie L.; Oser, Kameron; Hopper, David A.; Grote, Richard R.; Bassett, Lee C.
Mono- and few-layer hexagonal boron nitride (h-BN) can host defects whose electronic states lie deep within the bandgap, similar to the nitrogen-vacancy color center in bulk diamond. Here, we study defect creation in h-BN through irradiation and thermal annealing. We employ confocal photoluminescence (PL) imaging and spectroscopy under various excitation energies on both supported and suspended h-BN to identify and characterize the emission of isolated defect centers. Polarization- and temperature-dependent measurements of the observed PL are used to map out the electronic structure of the defects, enabling optical control of fluorescent defects in h-BN. This knowledge, coupled with the spatial confinement to 2D and the unique electrical, optical, and mechanical properties of h-BN, will enable the use of these defects for quantum sensing and other applications in quantum information processing. Work supported by the ARO (W911NF-15-1-0589) and NSF MRSEC (DMR-1120901).
A hexagonal orthogonal-oriented pyramid as a model of image representation in visual cortex
NASA Technical Reports Server (NTRS)
Watson, Andrew B.; Ahumada, Albert J., Jr.
1989-01-01
Retinal ganglion cells represent the visual image with a spatial code, in which each cell conveys information about a small region in the image. In contrast, cells of the primary visual cortex use a hybrid space-frequency code in which each cell conveys information about a region that is local in space, spatial frequency, and orientation. A mathematical model for this transformation is described. The hexagonal orthogonal-oriented quadrature pyramid (HOP) transform, which operates on a hexagonal input lattice, uses basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The basis functions, which are generated from seven basic types through a recursive process, form an image code of the pyramid type. The seven basis functions, six bandpass and one low-pass, occupy a point and a hexagon of six nearest neighbors on a hexagonal lattice. The six bandpass basis functions consist of three with even symmetry, and three with odd symmetry. At the lowest level, the inputs are image samples. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing square root of 7 larger than the previous level, so that the number of coefficients is reduced by a factor of seven at each level. In the biological model, the input lattice is the retinal ganglion cell array. The resulting scheme provides a compact, efficient code of the image and generates receptive fields that resemble those of the primary visual cortex.
Nanoimprint lithography: 2D or not 2D? A review
NASA Astrophysics Data System (ADS)
Schift, Helmut
2015-11-01
Nanoimprint lithography (NIL) is more than a planar high-end technology for the patterning of wafer-like substrates. It is essentially a 3D process, because it replicates various stamp topographies by 3D displacement of material and takes advantage of the bending of stamps while the mold cavities are filled. But at the same time, it keeps all assets of a 2D technique being able to pattern thin masking layers like in photon- and electron-based traditional lithography. This review reports about 20 years of development of replication techniques at Paul Scherrer Institut, with a focus on 3D aspects of molding, which enable NIL to stay 2D, but at the same time enable 3D applications which are "more than Moore." As an example, the manufacturing of a demonstrator for backlighting applications based on thermally activated selective topography equilibration will be presented. This technique allows generating almost arbitrary sloped, convex and concave profiles in the same polymer film with dimensions in micro- and nanometer scale.
Madelung energy of Yukawa lattices.
Pereira, P C N; Apolinario, S W S
2012-10-01
We propose a method to obtain an approximate closed form expression for the Madelung energy (ME) of Yukawa lattices. Such a method is applied for lattices of different topologies and dimensions. The obtained Madelung energies have a satisfactory accuracy for all ranges of the screening parameter κ of the Yukawa potential, and it becomes exact in the asymptotic limits κ→0 and κ→+∞. For instance, for the triangular lattice, the maximum relative error of the ME given by the method is about 0.0047. Also, satisfactory results are obtained for the one-component plasma limit. The Madelung constants of the two-dimensional hexagonal BN and square NaCl and the three-dimensional cubic NaCl crystals are estimated with a relative error of 0.004, 0.006, and 0.03, respectively. Finally, different ways to improve the method are presented and discussed. PMID:23214705
Mechanics of advanced fiber reinforced lattice composites
NASA Astrophysics Data System (ADS)
Fan, Hua-Lin; Zeng, Tao; Fang, Dai-Ning; Yang, Wei
2010-12-01
Fiber reinforced lattice composites are light-weight attractive due to their high specific strength and specific stiffness. In the past 10 years, researchers developed three-dimensional (3D) lattice trusses and two-dimensional (2D) lattice grids by various methods including interlacing, weaving, interlocking, filament winding and molding hot-press. The lattice composites have been applied in the fields of radar cross-section reduction, explosive absorption and heat-resistance. In this paper, topologies of the lattice composites, their manufacturing routes, as well as their mechanical and multifunctional applications, were surveyed.
Resolving 2D Amorphous Materials with Scanning Probe Microscopy
NASA Astrophysics Data System (ADS)
Burson, Kristen M.; Buechner, Christin; Lewandowski, Adrian; Heyde, Markus; Freund, Hans-Joachim
Novel two-dimensional (2D) materials have garnered significant scientific interest due to their potential technological applications. Alongside the emphasis on crystalline materials, such as graphene and hexagonal BN, a new class of 2D amorphous materials must be pursued. For amorphous materials, a detailed understanding of the complex structure is necessary. Here we present a structural study of 2D bilayer silica on Ru(0001), an insulating material which is weakly coupled to the substrate. Atomic structure has been determined with a dual mode atomic force microscopy (AFM) and scanning tunneling microscopy (STM) sensor in ultra-high vacuum (UHV) at low temperatures, revealing a network of different ring sizes. Liquid AFM measurements with sub-nanometer resolution bridge the gap between clean UHV conditions and the environments that many material applications demand. Samples are grown and characterized in vacuum and subsequently transferred to the liquid AFM. Notably, the key structural features observed, namely nanoscale ring networks and larger holes to the substrate, show strong quantitative agreement between the liquid and UHV microscopy measurements. This provides direct evidence for the structural stability of these silica films for nanoelectronics and other applications. KMB acknowledges support from the Alexander von Humboldt Foundation.
Role of defects in frictional properties of 2-D materials
NASA Astrophysics Data System (ADS)
Kavalur, Aditya; Kim, Woo Kyun
Graphene and other 2-D materials have provided a promising prospect to improve the tribological properties of small length scale devices such as MEMS/NEMS due to their low friction coefficient and excellent wear resistance. Several recent research efforts have been devoted to unveiling the physical origin of the superior tribological properties of these 2-D materials from both experimental and theoretical standpoints, however, many of them still remain far from clearly understood. Recently, it was shown that lamellar materials do not conform to the predictions of the Prandtl-Tomlinson model due to additional friction mechanisms of delamination and visco-elastic ploughing. These mechanisms are critical as they explain the low and negative coefficients of friction observed in recent AFM experiments. However, thus far, most simulation and theoretical studies about these novel friction mechanisms have focused on only pristine graphene whereas real graphene sheets prepared by CVD and other conventional techniques possess various forms of defects such as vacancies and non-hexagonal rings. In this study we examine the role of these defects in frictional properties of 2-D materials in relation to delamination and visco-elastic ploughing.
Bornyakov, V.G.
2005-06-01
Possibilities that are provided by a lattice regularization of QCD for studying nonperturbative properties of QCD are discussed. A review of some recent results obtained from computer calculations in lattice QCD is given. In particular, the results for the QCD vacuum structure, the hadron mass spectrum, and the strong coupling constant are considered.
Lattice-gas automata for the Navier-Stokes equation
NASA Astrophysics Data System (ADS)
Frisch, U.; Hasslacher, B.; Pomeau, Y.
1986-04-01
It is shown that a class of deterministic lattice gases with discrete Boolean elements simulates the Navier-Stokes equations, and can be used to design simple, massively parallel computing machines. A hexagonal lattice gas (HLG) model consisting of a triangular lattice with hexagonal symmetry is developed, and is shown to lead to the two-dimensional Navier-Stokes equations. The three-dimensional formulation is obtained by a splitting method in which the nonlinear term in the three-dimensional Navier-Stokes equation is recasts as the sum of two terms, each containing spurious elements and each realizable on a different lattice. Freed slip and rigid boundary conditions are easily implemented. It is noted that lattice-gas models must be run at moderate Mach numbers to remain incompressible, and to avoid spurious high-order nonlinear terms. The model gives a concrete hydrodynamical example of how cellular automata can be used to simulate classical nonlinear fields.
NASA Astrophysics Data System (ADS)
Singh, Kevin; Geiger, Zachary; Senaratne, Ruwan; Rajagopal, Shankari; Fujiwara, Kurt; Weld, David; Weld Group Team
2015-05-01
Quasiperiodicity is intimately involved in quantum phenomena from localization to the quantum Hall effect. Recent experimental investigation of quasiperiodic quantum effects in photonic and electronic systems have revealed intriguing connections to topological phenomena. However, such experiments have been limited by the absence of techniques for creating tunable quasiperiodic structures. We propose a new type of quasiperiodic optical lattice, constructed by intersecting a Gaussian beam with a 2D square lattice at an angle with an irrational tangent. The resulting potential, a generalization of the Fibonacci lattice, is a physical realization of the mathematical ``cut-and-project'' construction which underlies all quasiperiodic structures. Calculation of the energies and wavefunctions of atoms loaded into the proposed quasiperiodic lattice demonstrate a fractal energy spectrum and the existence of edge states. We acknowledge support from the ONR (award N00014-14-1-0805), the ARO and the PECASE program (award W911NF-14-1-0154), the AFOSR (award FA9550-12-1-0305), and the Alfred P. Sloan foundation (grant BR2013-110).
Luther, Pradeep K.; Squire, John M.
2014-01-01
Myosin filaments in vertebrate striated muscle have a long roughly cylindrical backbone with cross-bridge projections on the surfaces of both halves except for a short central bare zone. In the middle of this central region the filaments are cross-linked by the M-band which holds them in a well-defined hexagonal lattice in the muscle A-band. During muscular contraction the M-band-defined rotation of the myosin filaments around their long axes influences the interactions that the cross-bridges can make with the neighbouring actin filaments. We can visualise this filament rotation by electron microscopy of thin cross-sections in the bare-region immediately adjacent to the M-band where the filament profiles are distinctly triangular. In the muscles of teleost fishes, the thick filament triangular profiles have a single orientation giving what we call the simple lattice. In other vertebrates, for example all the tetrapods, the thick filaments have one of two orientations where the triangles point in opposite directions (they are rotated by 60° or 180°) according to set rules. Such a distribution cannot be developed in an ordered fashion across a large 2D lattice, but there are small domains of superlattice such that the next-nearest neighbouring thick filaments often have the same orientation. We believe that this difference in the lattice forms can lead to different contractile behaviours. Here we provide a historical review, and when appropriate cite recent work related to the emergence of the simple and superlattice forms by examining the muscles of several species ranging back to primitive vertebrates and we discuss the functional differences that the two lattice forms may have. PMID:25478994
Lattice Green's functions in all dimensions
NASA Astrophysics Data System (ADS)
Guttmann, Anthony J.
2010-07-01
We give a systematic treatment of lattice Green's functions (LGF) on the d-dimensional diamond, simple cubic, body-centred cubic and face-centred cubic lattices for arbitrary dimensionality d >= 2 for the first three lattices, and for 2 <= d <= 5 for the hyper-fcc lattice. We show that there is a close connection between the LGF of the d-dimensional hyper-cubic lattice and that of the (d - 1)-dimensional diamond lattice. We give constant-term formulations of LGFs for each of these lattices in all dimensions. Through a still under-developed connection with Mahler measures, we point out an unexpected connection between the coefficients of the sc, bcc and diamond LGFs and some Ramanujan-type formulae for 1/π.
Lattice kinetic simulation of nonisothermal magnetohydrodynamics.
Chatterjee, Dipankar; Amiroudine, Sakir
2010-06-01
In this paper, a lattice kinetic algorithm is presented to simulate nonisothermal magnetohydrodynamics in the low-Mach number incompressible limit. The flow and thermal fields are described by two separate distribution functions through respective scalar kinetic equations and the magnetic field is governed by a vector distribution function through a vector kinetic equation. The distribution functions are only coupled via the macroscopic density, momentum, magnetic field, and temperature computed at the lattice points. The novelty of the work is the computation of the thermal field in conjunction with the hydromagnetic fields in the lattice Boltzmann framework. A 9-bit two-dimensional (2D) lattice scheme is used for the numerical computation of the hydrodynamic and thermal fields, whereas the magnetic field is simulated in a 5-bit 2D lattice. Simulation of Hartmann flow in a channel provides excellent agreement with corresponding analytical results. PMID:20866540
The Laplacian-Energy-Like Invariants of Three Types of Lattices
Chu, Zheng-Qing; Liu, Jia-Bao; Li, Xiao-Xin
2016-01-01
This paper mainly studies the Laplacian-energy-like invariants of the modified hexagonal lattice, modified Union Jack lattice, and honeycomb lattice. By utilizing the tensor product of matrices and the diagonalization of block circulant matrices, we derive closed-form formulas expressing the Laplacian-energy-like invariants of these lattices. In addition, we obtain explicit asymptotic values of these invariants with software-aided computations of some integrals. PMID:27190675
Electrodeposited Silver Nanoparticles Patterned Hexagonally for SERS
Gu, Geun Hoi; Lee, Sue Yeone; Suh, Jung Sang
2010-08-06
We have fabricated hexagonally patterned silver nanoparticles for surface-enhanced Raman scattering (SERS) by electrodepositing silver on the surface of an aluminum plate prepared by completely removing the oxide from anodic aluminum oxide (AAO) templates. Even after completely removing the oxide, well-ordered hexagonal patterns, similar to the shape of graphene, remained on the surface of the aluminum plate. The borders of the hexagonal pattern protruded up to form sorts of nano-mountains at both the sides and apexes of the hexagon, with the apexes protruding even more significantly than the sides. The aluminum plate prepared by completely removing the oxide has been used in the preparation of SERS substrates by sputter-coating of gold or silver on it. Instead of sputter-coating, here we have electro-deposited silver on the aluminum plate. When silver was electro-deposited on the plate, silver nanoparticles were made along the hexagonal margins.
ERIC Educational Resources Information Center
Parris, Richard
2011-01-01
Given a segment that joins two lattice points in R[superscript 3], when is it possible to form a lattice cube that uses this segment as one of its twelve edges? A necessary and sufficient condition is that the length of the segment be an integer. This paper presents an algorithm for finding such a cube when the prime factors of the length are…
NKG2D ligands as therapeutic targets
Spear, Paul; Wu, Ming-Ru; Sentman, Marie-Louise; Sentman, Charles L.
2013-01-01
The Natural Killer Group 2D (NKG2D) receptor plays an important role in protecting the host from infections and cancer. By recognizing ligands induced on infected or tumor cells, NKG2D modulates lymphocyte activation and promotes immunity to eliminate ligand-expressing cells. Because these ligands are not widely expressed on healthy adult tissue, NKG2D ligands may present a useful target for immunotherapeutic approaches in cancer. Novel therapies targeting NKG2D ligands for the treatment of cancer have shown preclinical success and are poised to enter into clinical trials. In this review, the NKG2D receptor and its ligands are discussed in the context of cancer, infection, and autoimmunity. In addition, therapies targeting NKG2D ligands in cancer are also reviewed. PMID:23833565
NASA Astrophysics Data System (ADS)
Prentice, Joseph C. A.; Coldea, Amalia I.
2016-06-01
By solving the Boltzmann transport equation we investigate theoretically the general form of oscillations in the resistivity caused by varying the direction of an applied magnetic field for the case of quasi-two-dimensional systems on hexagonal lattices. The presence of the angular magnetoresistance oscillations can be used to map out the topology of the Fermi surface and we study how this effect varies as a function of the degree of interplane warping as well as a function of the degree of isotropic scattering. We find that the angular-dependent effect due to in-plane rotation follows the symmetry imposed by the lattice whereas for interplane rotation the degree of warping dictates the dominant features observed in simulations. Our calculations make predictions for specific angle-dependent magnetotransport signatures in magnetic fields expected for quasi-two-dimensional hexagonal compounds similar to PdCoO2 and PtCoO2.
Flatbands in 2D boroxine-linked covalent organic frameworks.
Wang, Rui-Ning; Zhang, Xin-Ran; Wang, Shu-Fang; Fu, Guang-Sheng; Wang, Jiang-Long
2016-01-14
Density functional calculations have been performed to analyze the electronic and mechanical properties of a number of 2D boroxine-linked covalent organic frameworks (COFs), which are experimentally fabricated from di-borate aromatic molecules. Furthermore, the band structures are surprising and show flat-band characteristics which are mainly attributed to the delocalized π-conjugated electrons around the phenyl rings and can be better understood within aromaticity theories. Next, the effects of branch sizes and hydrostatic strains on their band structures are systematically considered within generalized gradient approximations. It is found that their band gaps will start to saturate when the branch size reaches 9. For boroxine-linked COFs with only one benzene ring in the branch, the band gap is robust under compressive strain while it decreases with the tensile strain increasing. When the branch size is equal or greater than 2, their band gaps will monotonously increase with the strain increasing in the range of [-1.0, 2.0] Å. All boroxine-linked COFs are semiconductors with controllable band gaps, depending on the branch length and the applied strain. In comparison with other 2D materials, such as graphene, hexagonal boron nitride, and even γ-graphyne, all boroxine-linked COFs are much softer and even more stable. That is, they can maintain the planar features under a larger compressive strain, which means that they are good candidates in flexible electronics. PMID:26662215
Subwavelength Lattice Optics by Evolutionary Design
2015-01-01
This paper describes a new class of structured optical materials—lattice opto-materials—that can manipulate the flow of visible light into a wide range of three-dimensional profiles using evolutionary design principles. Lattice opto-materials are based on the discretization of a surface into a two-dimensional (2D) subwavelength lattice whose individual lattice sites can be controlled to achieve a programmed optical response. To access a desired optical property, we designed a lattice evolutionary algorithm that includes and optimizes contributions from every element in the lattice. Lattice opto-materials can exhibit simple properties, such as on- and off-axis focusing, and can also concentrate light into multiple, discrete spots. We expanded the unit cell shapes of the lattice to achieve distinct, polarization-dependent optical responses from the same 2D patterned substrate. Finally, these lattice opto-materials can also be combined into architectures that resemble a new type of compound flat lens. PMID:25380062
Subwavelength lattice optics by evolutionary design.
Huntington, Mark D; Lauhon, Lincoln J; Odom, Teri W
2014-12-10
This paper describes a new class of structured optical materials--lattice opto-materials--that can manipulate the flow of visible light into a wide range of three-dimensional profiles using evolutionary design principles. Lattice opto-materials are based on the discretization of a surface into a two-dimensional (2D) subwavelength lattice whose individual lattice sites can be controlled to achieve a programmed optical response. To access a desired optical property, we designed a lattice evolutionary algorithm that includes and optimizes contributions from every element in the lattice. Lattice opto-materials can exhibit simple properties, such as on- and off-axis focusing, and can also concentrate light into multiple, discrete spots. We expanded the unit cell shapes of the lattice to achieve distinct, polarization-dependent optical responses from the same 2D patterned substrate. Finally, these lattice opto-materials can also be combined into architectures that resemble a new type of compound flat lens. PMID:25380062
Ballistic Transport in Graphene Antidot Lattices.
Sandner, Andreas; Preis, Tobias; Schell, Christian; Giudici, Paula; Watanabe, Kenji; Taniguchi, Takashi; Weiss, Dieter; Eroms, Jonathan
2015-12-01
The bulk carrier mobility in graphene was shown to be enhanced in graphene-boron nitride heterostructures. However, nanopatterning graphene can add extra damage and drastically degrade the intrinsic properties by edge disorder. Here we show that graphene embedded into a heterostructure with hexagonal boron nitride (hBN) on both sides is protected during a nanopatterning step. In this way, we can prepare graphene-based antidot lattices where the high mobility is preserved. We report magnetotransport experiments in those antidot lattices with lattice periods down to 50 nm. We observe pronounced commensurability features stemming from ballistic orbits around one or several antidots. Due to the short lattice period in our samples, we can also explore the boundary between the classical and the quantum transport regime, as the Fermi wavelength of the electrons approaches the smallest length scale of the artificial potential. PMID:26598218
Increasing skyrmion lattice stability: theory and experiment
NASA Astrophysics Data System (ADS)
Kruchkov, Alex; White, Jonathan; Ronnow, Henrik; Zivkovic, Ivica
Magnetic skyrmions are vortices of spins, considered to be topologically protected against perturbations, and envisaged as very possible next-generation information carriers due to their nanoscale size. In chiral ferromagnets they form a two-dimensional hexagonal array - the skyrmion lattice. A key challenge is that bulk skyrmions have been restricted so far to a tiny region in the temperature-field phase diagram. In this work we address theoretically the stability of the skyrmion lattice. We demonstrate that tuning anisotropy can lead to dramatic (20 times) enhancement of the skyrmion phase volume, which has been recently revealed in our experiment.
Lattice Gas Model with Nonlocal Interactions
NASA Astrophysics Data System (ADS)
Das, Shankar P.
We analyze the nature of the hydrodynamic modes in a Lattice Gas Automata (LGA) model defined on a hexagonal lattice and having nonlocal interactions of attractive and repulsive type simultaneously. The model is similar in spirit to the liquid gas model of Appert and Zaleski [Phys. Rev. Lett. 64, 1 (1990)]. The phase diagram for the model is computed using the kinetic pressure. The dynamics is studied with a mean field type approach in the Boltzmann approximation ignoring effects of correlated collisions. We compute the transport coefficients and the speed of sound propagation. The presence of attractive interactions show increase in the transport coefficients at intermediate densities.
Gluing hexagons at three loops
NASA Astrophysics Data System (ADS)
Basso, Benjamin; Goncalves, Vasco; Komatsu, Shota; Vieira, Pedro
2016-06-01
We perform extensive three-loop tests of the hexagon bootstrap approach for structure constants in planar N = 4 SYM theory. We focus on correlators involving two BPS operators and one non-BPS operator in the so-called SL (2) sector. At three loops, such correlators receive wrapping corrections from mirror excitations flowing in either the adjacent or the opposing channel. Amusingly, we find that the first type of correction coincides exactly with the leading wrapping correction for the spectrum (divided by the one-loop anomalous dimension). We develop an efficient method for computing the second type of correction for operators with any spin. The results are in perfect agreement with the recently obtained three-loop perturbative data by Chicherin, Drummond, Heslop, Sokatchev [2] and by Eden [3]. We also derive the integrand for general multi-particle wrapping corrections, which turns out to take a remarkably simple form. As an application we estimate the loop order at which various new physical effects are expected to kick-in.
Fermionic pentagons and NMHV hexagon
NASA Astrophysics Data System (ADS)
Belitsky, A. V.
2015-05-01
We analyze the near-collinear limit of the null polygonal hexagon super Wilson loop in the planar N = 4 super-Yang-Mills theory. We focus on its Grassmann components which are dual to next-to-maximal helicity-violating (NMHV) scattering amplitudes. The kinematics in question is studied within a framework of the operator product expansion that encodes propagation of excitations on the background of the color flux tube stretched between the sides of Wilson loop contour. While their dispersion relation is known to all orders in 't Hooft coupling from previous studies, we find their form factor couplings to the Wilson loop. This is done making use of a particular tessellation of the loop where pentagon transitions play a fundamental role. Being interested in NMHV amplitudes, the corresponding building blocks carry a nontrivial charge under the SU(4) R-symmetry group. Restricting the current consideration to twist-two accuracy, we analyze two-particle contributions with a fermion as one of the constituents in the pair. We demonstrate that these nonsinglet pentagons obey bootstrap equations that possess consistent solutions for any value of the coupling constant. To confirm the correctness of these predictions, we calculate their contribution to the super Wilson loop demonstrating agreement with recent results to four-loop order in 't Hooft coupling.
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.
Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds.
Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu
2016-07-28
We demonstrate, for the first time, that a hydrogen-bonded low-density organic framework can be applied as a platform to achieve periodic alignment of paired molecules of C60, which is the smallest example of a finite-numbered cluster of C60. The framework is a layered assembly of a hydrogen-bonded 2D hexagonal network (LA-H-HexNet) composed of dodecadehydrotribenzo[18]annulene derivatives. PMID:27417325
Columnar epitaxy of hexagonal and orthorhombic silicides on Si(111)
NASA Technical Reports Server (NTRS)
Fathauer, R. W.; Nieh, C. W.; Xiao, Q. F.; Hashimoto, Shin
1990-01-01
Columnar grains of PtSi and CrSi2 surrounded by high-quality epitaxial silicon are obtained by ultrahigh vacuum codeposition of Si and metal in an approximately 10:1 ratio on Si(111) substrates heated to 610-840 C. This result is similar to that found previously for CoSi2 (a nearly-lattice-matched cubic-fluorite crystal) on Si(111), in spite of the respective orthorhombic and hexagonal structures of PtSi and CrSi2. The PtSi grains are epitaxial and have one of three variants of the relation defined by PtSi(010)/Si(111), with PtSi 001 line/Si 110 line type.
Activated chemoreceptor arrays remain intact and hexagonally packed
Briegel, Ariane; Beeby, Morgan; Thanbichler, Martin; Jensen, Grant J.
2013-01-01
Summary Bacterial chemoreceptors cluster into exquisitively sensitive, tunable, highly ordered, polar arrays. While these arrays serve as paradigms of cell signalling in general, it remains unclear what conformational changes transduce signals from the periplasmic tips, where attractants and repellents bind, to the cytoplasmic signalling domains. Conflicting reports support and contest the hypothesis that activation causes large changes in the packing arrangement of the arrays, up to and including their complete disassembly. Using electron cryotomography, here we show that in Caulobacter crescentus, chemoreceptor arrays in cells grown in different media and immediately after exposure to the attractant galactose all exhibit the same 12 nm hexagonal packing arrangement, array size and other structural parameters. ΔcheB and ΔcheR mutants mimicking attractant- or repellent-bound states prior to adaptation also show the same lattice structure. We conclude that signal transduction and amplification must be accomplished through only small, nanoscale conformational changes. PMID:21992450
Predicting Sizes of Hexagonal and Gyroid Metal Nanostructures from Liquid Crystal Templating.
Asghar, Kaleem A; Rowlands, Daniel A; Elliott, Joanne M; Squires, Adam M
2015-11-24
We describe a method to predict and control the lattice parameters of hexagonal and gyroid mesoporous materials formed by liquid crystal templating. In the first part, we describe a geometric model with which the lattice parameters of different liquid crystal mesophases can be predicted as a function of their water/surfactant/oil volume fractions, based on certain geometric parameters relating to the constituent surfactant molecules. We demonstrate the application of this model to the lamellar (Lα), hexagonal (H1), and gyroid bicontinuous cubic (V1) mesophases formed by the binary Brij-56 (C16EO10)/water system and the ternary Brij-56/hexadecane/water system. In this way, we demonstrate predictable and independent control over the size of the cylinders (with hexadecane) and their spacing (with water). In the second part, we produce mesoporous platinum using as templates hexagonal and gyroid phases with different compositions and show that in each case the symmetry and lattice parameter of the metal nanostructure faithfully replicate those of the liquid crystal template, which is itself in agreement with the model. This demonstrates a rational control over the geometry, size, and spacing of pores in a mesoporous metal. PMID:26493862
Elastic interaction of point defects in cubic and hexagonal crystals
NASA Astrophysics Data System (ADS)
Kukushkin, S. A.; Osipov, A. V.; Telyatnik, R. S.
2016-05-01
The elastic interaction of two point defects in cubic and hexagonal structures has been considered. On the basis of the exact expression for the tensor Green's function of the elastic field obtained by the Lifschitz-Rozentsveig for a hexagonal medium, an exact formula for the interaction energy of two point defects has been obtained. The solution is represented as a function of the angle of their relative position on the example of semiconductors such as III-nitrides and α-SiC. For the cubic medium, the solution is found on the basis of the Lifschitz-Rozentsveig Green's tensors corrected by Ostapchuk, in the weak-anisotropy approximation. It is proven that the calculation of the interaction energy by the original Lifschitz-Rozentsveig Green's tensor leads to the opposite sign of the energy. On the example of the silicon crystal, the approximate solution is compared with the numerical solution, which is represented as an approximation by a series of spherical harmonics. The range of applicability of the continual approach is estimated by the quantum mechanical calculation of the lattice Green's function.
Parametric analysis of 2D guided-wave photonic band gap structures
NASA Astrophysics Data System (ADS)
Ciminelli, C.; Peluso, F.; Armenise, M. N.
2005-11-01
The parametric analysis of the electromagnetic properties of 2D guided wave photonic band gap structures is reported with the aim of providing a valid tool for the optimal design. The modelling approach is based on the Bloch-Floquet method. Different lattice configurations and geometrical parameters are considered. An optimum value for the ratio between the hole (or rod) radius and the lattice constant does exist and the calculation demonstrated that it is almost independent from the etching depth, only depending on the lattice type. The results are suitable for the design optimisation of photonic crystal reflectors to be used in integrated optical devices.
Parametric analysis of 2D guided-wave photonic band gap structures.
Ciminelli, C; Peluso, F; Armenise, M
2005-11-28
The parametric analysis of the electromagnetic properties of 2D guided wave photonic band gap structures is reported with the aim of providing a valid tool for the optimal design. The modelling approach is based on the Bloch-Floquet method. Different lattice configurations and geometrical parameters are considered. An optimum value for the ratio between the hole (or rod) radius and the lattice constant does exist and the calculation demonstrated that it is almost independent from the etching depth, only depending on the lattice type. The results are suitable for the design optimisation of photonic crystal reflectors to be used in integrated optical devices. PMID:19503180
Novel high pressure hexagonal OsB{sub 2} by mechanochemistry
Xie, Zhilin; Graule, Moritz; Orlovskaya, Nina; Andrew Payzant, E.; Cullen, David A.; Blair, Richard G.
2014-07-01
Hexagonal OsB{sub 2}, a theoretically predicted high-pressure phase, has been synthesized for the first time by a mechanochemical method, i.e., high energy ball milling. X-ray diffraction indicated that formation of hexagonal OsB{sub 2} begins after 2.5 h of milling, and the reaction reaches equilibrium after 18 h of milling. Rietveld refinement of the powder data indicated that hexagonal OsB{sub 2} crystallizes in the P63/mmc space group (No. 194) with lattice parameters of a=2.916 Å and c=7.376 Å. Transmission electron microscopy confirmed the appearance of the hexagonal OsB{sub 2} phase after high energy ball milling. in situ X-ray diffraction experiments showed that the phase is stable from −225 °C to 1050 °C. The hexagonal OsB{sub 2} powder was annealed at 1050 °C for 6 days in vacuo to improve crystallinity and remove strain induced during the mechanochemical synthesis. The structure partially converted to the orthorhombic phase (20 wt%) after fast current assisted sintering of hexagonal OsB{sub 2} at 1500 °C for 5 min. Mechanochemical approaches to the synthesis of hard boride materials allow new phases to be produced that cannot be prepared using conventional methods. - Graphical abstract: High resolution transmission electron micrograph of hexagonal OsB{sub 2} nanocrystallite with corresponding fast Fourier transform and simulated diffraction pattern. - Highlights: • Hexagonal OsB{sub 2} has been synthesized for the first time by mechanochemical method. • Hexagonal OsB{sub 2} crystallizes in P63/mmc space group (No. 194), a=2.916 Å and c=7.376 Å. • The hexagonal structure was confirmed by a transmission electron microscope. • No phase transformation was observed after being annealed at 1050 °C for 6 days. • 20 wt% of h-OsB{sub 2} was transformed to o-OsB{sub 2} after being sintered at 1500 °C for 5 min.
Hexagonal photonic crystal waveguide based on barium titanate thin films
NASA Astrophysics Data System (ADS)
Li, Jianheng; Liu, Zhifu; Wessels, Bruce W.; Tu, Yongming; Ho, Seng-Tiong; Joshi-Imre, Alexandra; Ocola, Leonidas E.
2011-03-01
The simulation, fabrication and measurement of nonlinear photonic crystals (PhCs) with hexagonal symmetry in epitaxial BaTiO3 were investigated. The optical transmission properties of a PhC were simulated by a 2-D finite-difference time domain (FDTD) method. A complete bandgap exists for both the TE and TM optical modes. The fabricated PhC has a well-defined stop band over the spectral region of 1525 to 1575 nm. A microcavity structure was also fabricated by incorporation of a line defect in the PhC. Transmission of the microcavity structure over the spectral region from 1456 to 1584nm shows a well-defined 5 nm wide window at 1495nm. Simulations indicate that the phase velocity matched PhC microcavity device of 0.5 mm long can potentially serve as modulator with a 3 dB bandwidth of 4 THz.
Perspectives for spintronics in 2D materials
NASA Astrophysics Data System (ADS)
Han, Wei
2016-03-01
The past decade has been especially creative for spintronics since the (re)discovery of various two dimensional (2D) materials. Due to the unusual physical characteristics, 2D materials have provided new platforms to probe the spin interaction with other degrees of freedom for electrons, as well as to be used for novel spintronics applications. This review briefly presents the most important recent and ongoing research for spintronics in 2D materials.
NASA Astrophysics Data System (ADS)
Li, Shuai; Qiu, Wen-Xuan; Gao, Jin-Hua
2016-06-01
Recently, a new kind of artificial two dimensional (2D) electron lattice on the nanoscale, i.e. molecular graphene, has drawn a lot of interest, where the metal surface electrons are transformed into a honeycomb lattice via absorbing a molecular lattice on the metal surface [Gomes et al., Nature, 2012, 438, 306; Wang et al., Phys. Rev. Lett., 2014, 113, 196803]. In this work, we theoretically demonstrate that this technique can be readily used to build other complex 2D electron lattices on a metal surface, which are of high interest in the field of condensed matter physics. The main challenge to build a complex 2D electron lattice is that this is a quantum antidot system, where the absorbed molecule normally exerts a repulsive potential on the surface electrons. Thus, there is no straightforward corresponding relation between the molecular lattice pattern and the desired 2D lattice of surface electrons. Here, we give an interesting example about the Kagome lattice, which has exotic correlated electronic states. We design a special molecular pattern and show that this molecular lattice can transform the surface electrons into a Kagome-like lattice. The numerical simulation is conducted using a Cu(111) surface and CO molecules. We first estimate the effective parameters of the Cu/CO system by fitting experimental data of the molecular graphene. Then, we calculate the corresponding energy bands and LDOS of the surface electrons in the presence of the proposed molecular lattice. Finally, we interpret the numerical results by the tight binding model of the Kagome lattice. We hope that our work can stimulate further theoretical and experimental interest in this novel artificial 2D electron lattice system.
Li, Shuai; Qiu, Wen-Xuan; Gao, Jin-Hua
2016-07-01
Recently, a new kind of artificial two dimensional (2D) electron lattice on the nanoscale, i.e. molecular graphene, has drawn a lot of interest, where the metal surface electrons are transformed into a honeycomb lattice via absorbing a molecular lattice on the metal surface [Gomes et al., Nature, 2012, 438, 306; Wang et al., Phys. Rev. Lett., 2014, 113, 196803]. In this work, we theoretically demonstrate that this technique can be readily used to build other complex 2D electron lattices on a metal surface, which are of high interest in the field of condensed matter physics. The main challenge to build a complex 2D electron lattice is that this is a quantum antidot system, where the absorbed molecule normally exerts a repulsive potential on the surface electrons. Thus, there is no straightforward corresponding relation between the molecular lattice pattern and the desired 2D lattice of surface electrons. Here, we give an interesting example about the Kagome lattice, which has exotic correlated electronic states. We design a special molecular pattern and show that this molecular lattice can transform the surface electrons into a Kagome-like lattice. The numerical simulation is conducted using a Cu(111) surface and CO molecules. We first estimate the effective parameters of the Cu/CO system by fitting experimental data of the molecular graphene. Then, we calculate the corresponding energy bands and LDOS of the surface electrons in the presence of the proposed molecular lattice. Finally, we interpret the numerical results by the tight binding model of the Kagome lattice. We hope that our work can stimulate further theoretical and experimental interest in this novel artificial 2D electron lattice system. PMID:27279292
Benchmarking of calculation schemes in APOLLO2 and COBAYA3 for WER lattices
Zheleva, N.; Ivanov, P.; Todorova, G.; Kolev, N.; Herrero, J. J.
2013-07-01
This paper presents solutions of the NURISP WER lattice benchmark using APOLLO2, TRIPOLI4 and COBAYA3 pin-by-pin. The main objective is to validate MOC based calculation schemes for pin-by-pin cross-section generation with APOLLO2 against TRIPOLI4 reference results. A specific objective is to test the APOLLO2 generated cross-sections and interface discontinuity factors in COBAYA3 pin-by-pin calculations with unstructured mesh. The VVER-1000 core consists of large hexagonal assemblies with 2 mm inter-assembly water gaps which require the use of unstructured meshes in the pin-by-pin core simulators. The considered 2D benchmark problems include 19-pin clusters, fuel assemblies and 7-assembly clusters. APOLLO2 calculation schemes with the step characteristic method (MOC) and the higher-order Linear Surface MOC have been tested. The comparison of APOLLO2 vs. TRIPOLI4 results shows a very close agreement. The 3D lattice solver in COBAYA3 uses transport corrected multi-group diffusion approximation with interface discontinuity factors of Generalized Equivalence Theory (GET) or Black Box Homogenization (BBH) type. The COBAYA3 pin-by-pin results in 2, 4 and 8 energy groups are close to the reference solutions when using side-dependent interface discontinuity factors. (authors)
Annotated Bibliography of EDGE2D Use
J.D. Strachan and G. Corrigan
2005-06-24
This annotated bibliography is intended to help EDGE2D users, and particularly new users, find existing published literature that has used EDGE2D. Our idea is that a person can find existing studies which may relate to his intended use, as well as gain ideas about other possible applications by scanning the attached tables.
Staring 2-D hadamard transform spectral imager
Gentry, Stephen M.; Wehlburg, Christine M.; Wehlburg, Joseph C.; Smith, Mark W.; Smith, Jody L.
2006-02-07
A staring imaging system inputs a 2D spatial image containing multi-frequency spectral information. This image is encoded in one dimension of the image with a cyclic Hadamarid S-matrix. The resulting image is detecting with a spatial 2D detector; and a computer applies a Hadamard transform to recover the encoded image.
NASA Astrophysics Data System (ADS)
Buchheim, Jakob; Wyss, Roman M.; Shorubalko, Ivan; Park, Hyung Gyu
2016-04-01
We report experimentally and theoretically the behavior of freestanding graphene subjected to bombardment of energetic ions, investigating the capability of large-scale patterning of freestanding graphene with nanometer sized features by focused ion beam technology. A precise control over the He+ and Ga+ irradiation offered by focused ion beam techniques enables investigating the interaction of the energetic particles and graphene suspended with no support and allows determining sputter yields of the 2D lattice. We found a strong dependency of the 2D sputter yield on the species and kinetic energy of the incident ion beams. Freestanding graphene shows material semi-transparency to He+ at high energies (10-30 keV) allowing the passage of >97% He+ particles without creating destructive lattice vacancy. Large Ga+ ions (5-30 keV), in contrast, collide far more often with the graphene lattice to impart a significantly higher sputter yield of ~50%. Binary collision theory applied to monolayer and few-layer graphene can successfully elucidate this collision mechanism, in great agreement with experiments. Raman spectroscopy analysis corroborates the passage of a large fraction of He+ ions across graphene without much damaging the lattice whereas several colliding ions create single vacancy defects. Physical understanding of the interaction between energetic particles and suspended graphene can practically lead to reproducible and efficient pattern generation of unprecedentedly small features on 2D materials by design, manifested by our perforation of sub-5 nm pore arrays. This capability of nanometer-scale precision patterning of freestanding 2D lattices shows the practical applicability of focused ion beam technology to 2D material processing for device fabrication and integration.We report experimentally and theoretically the behavior of freestanding graphene subjected to bombardment of energetic ions, investigating the capability of large-scale patterning of
Mirror effects and optical meta-surfaces in 2d atomic arrays
NASA Astrophysics Data System (ADS)
Shahmoon, Ephraim; Wild, Dominik; Lukin, Mikhail; Yelin, Susanne
2016-05-01
Strong optical response of natural and artificial (meta-) materials typically relies on the fact that the lattice constant that separates their constituent particles (atoms or electromagnetic resonators, respectively) is much smaller than the optical wavelength. Here we consider a single layer of a 2d atom array with a lattice constant on the order of an optical wavelength, which can be thought of as a highly dilute 2d metamaterial (meta-surface). Our theoretical analysis shows how strong scattering of resonant incoming light off the array can be controlled by choosing its lattice constant, e.g. allowing the array to operate as a perfect mirror or a retro-reflector for most incident angles of the incoming light. We discuss the prospects for quantum metasurfaces, i.e. the ability to shape the output quantum state of light by controlling the atomic states, and the possible generality of our results as a universal wave phenomena.
Duality analysis on random planar lattices.
Ohzeki, Masayuki; Fujii, Keisuke
2012-11-01
The conventional duality analysis is employed to identify a location of a critical point on a uniform lattice without any disorder in its structure. In the present study, we deal with the random planar lattice, which consists of the randomized structure based on the square lattice. We introduce the uniformly random modification by the bond dilution and contraction on a part of the unit square. The random planar lattice includes the triangular and hexagonal lattices in extreme cases of a parameter to control the structure. A modern duality analysis fashion with real-space renormalization is found to be available for estimating the location of the critical points with a wide range of the randomness parameter. As a simple test bed, we demonstrate that our method indeed gives several critical points for the cases of the Ising and Potts models and the bond-percolation thresholds on the random planar lattice. Our method leads to not only such an extension of the duality analyses on the classical statistical mechanics but also a fascinating result associated with optimal error thresholds for a class of quantum error correction code, the surface code on the random planar lattice, which is known as a skillful technique to protect the quantum state. PMID:23214752
Duality analysis on random planar lattices
NASA Astrophysics Data System (ADS)
Ohzeki, Masayuki; Fujii, Keisuke
2012-11-01
The conventional duality analysis is employed to identify a location of a critical point on a uniform lattice without any disorder in its structure. In the present study, we deal with the random planar lattice, which consists of the randomized structure based on the square lattice. We introduce the uniformly random modification by the bond dilution and contraction on a part of the unit square. The random planar lattice includes the triangular and hexagonal lattices in extreme cases of a parameter to control the structure. A modern duality analysis fashion with real-space renormalization is found to be available for estimating the location of the critical points with a wide range of the randomness parameter. As a simple test bed, we demonstrate that our method indeed gives several critical points for the cases of the Ising and Potts models and the bond-percolation thresholds on the random planar lattice. Our method leads to not only such an extension of the duality analyses on the classical statistical mechanics but also a fascinating result associated with optimal error thresholds for a class of quantum error correction code, the surface code on the random planar lattice, which is known as a skillful technique to protect the quantum state.
Hydrothermal synthesis of hexagonal magnesium hydroxide nanoflakes
Wang, Qiang; Li, Chunhong; Guo, Ming; Sun, Lingna; Hu, Changwen
2014-03-01
Graphical abstract: Hexagonal Mg(OH){sub 2} nanoflakes were synthesized via hydrothermal method in the presence of PEG-20,000. Results show that PEG-20,000 plays an important role in the formation of this kind of nanostructure. The SAED patterns taken from the different positions on a single hexagonal Mg(OH){sub 2} nanoflake yielded different crystalline structures. The structure of the nanoflakes are polycrystalline and the probable formation mechanism of Mg(OH){sub 2} nanoflakes is discussed. - Highlights: • Hexagonal Mg(OH){sub 2} nanoflakes were synthesized via hydrothermal method. • PEG-20,000 plays an important role in the formation of hexagonal nanostructure. • Mg(OH){sub 2} nanoflakes show different crystalline structures at different positions. • The probable formation mechanism of hexagonal Mg(OH){sub 2} nanoflakes was reported. - Abstract: Hexagonal magnesium hydroxide (Mg(OH){sub 2}) nanoflakes were successfully synthesized via hydrothermal method in the presence of the surfactant polyethylene glycol 20,000 (PEG-20,000). Results show that PEG-20,000 plays an important role in the formation of this kind of nanostructure. The composition, morphologies and structure of the Mg(OH){sub 2} nanoflakes were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HRTEM), and selected area electron diffraction (SAED). The SAED patterns taken from the different positions on a single hexagonal Mg(OH){sub 2} nanoflake show different crystalline structures. The structure of the nanoflakes are polycrystalline and the probable formation mechanism of Mg(OH){sub 2} nanoflakes is discussed. Brunauer–Emmett–Teller (BET) analysis were performed to investigate the porous structure and surface area of the as-obtained nanoflakes.
Buchheim, Jakob; Wyss, Roman M; Shorubalko, Ivan; Park, Hyung Gyu
2016-04-21
We report experimentally and theoretically the behavior of freestanding graphene subjected to bombardment of energetic ions, investigating the capability of large-scale patterning of freestanding graphene with nanometer sized features by focused ion beam technology. A precise control over the He(+) and Ga(+) irradiation offered by focused ion beam techniques enables investigating the interaction of the energetic particles and graphene suspended with no support and allows determining sputter yields of the 2D lattice. We found a strong dependency of the 2D sputter yield on the species and kinetic energy of the incident ion beams. Freestanding graphene shows material semi-transparency to He(+) at high energies (10-30 keV) allowing the passage of >97% He(+) particles without creating destructive lattice vacancy. Large Ga(+) ions (5-30 keV), in contrast, collide far more often with the graphene lattice to impart a significantly higher sputter yield of ∼50%. Binary collision theory applied to monolayer and few-layer graphene can successfully elucidate this collision mechanism, in great agreement with experiments. Raman spectroscopy analysis corroborates the passage of a large fraction of He(+) ions across graphene without much damaging the lattice whereas several colliding ions create single vacancy defects. Physical understanding of the interaction between energetic particles and suspended graphene can practically lead to reproducible and efficient pattern generation of unprecedentedly small features on 2D materials by design, manifested by our perforation of sub-5 nm pore arrays. This capability of nanometer-scale precision patterning of freestanding 2D lattices shows the practical applicability of focused ion beam technology to 2D material processing for device fabrication and integration. PMID:27043304
Cold atoms in a rotating optical lattice
NASA Astrophysics Data System (ADS)
Foot, Christopher J.
2009-05-01
We have demonstrated a novel experimental arrangement which can rotate a two-dimensional optical lattice at frequencies up to several kilohertz. Our arrangement also allows the periodicity of the optical lattice to be varied dynamically, producing a 2D ``accordion lattice'' [1]. The angles of the laser beams are controlled by acousto-optic deflectors and this allows smooth changes with little heating of the trapped cold (rubidium) atoms. We have loaded a BEC into lattices with periodicities ranging from 1.8μm to 18μm, observing the collapse and revival of the diffraction orders of the condensate over a large range of lattice parameters as recently reported by a group in NIST [2]. We have also imaged atoms in situ in a 2D lattice over a range of lattice periodicities. Ultracold atoms in a rotating lattice can be used for the direct quantum simulation of strongly correlated systems under large effective magnetic fields, i.e. the Hamiltonian of the atoms in the rotating frame resembles that of a charged particle in a strong magnetic field. In the future, we plan to use this to investigate a range of phenomena such as the analogue of the fractional quantum Hall effect. [4pt] [1] R. A. Williams, J. D. Pillet, S. Al-Assam, B. Fletcher, M. Shotter, and C. J. Foot, ``Dynamic optical lattices: two-dimensional rotating and accordion lattices for ultracold atoms,'' Opt. Express 16, 16977-16983 (2008) [0pt] [2] J. H. Huckans, I. B. Spielman, B. Laburthe Tolra, W. D. Phillips, and J. V. Porto, Quantum and Classical Dynamics of a BEC in a Large-Period Optical Lattice, arXiv:0901.1386v1
Light field morphing using 2D features.
Wang, Lifeng; Lin, Stephen; Lee, Seungyong; Guo, Baining; Shum, Heung-Yeung
2005-01-01
We present a 2D feature-based technique for morphing 3D objects represented by light fields. Existing light field morphing methods require the user to specify corresponding 3D feature elements to guide morph computation. Since slight errors in 3D specification can lead to significant morphing artifacts, we propose a scheme based on 2D feature elements that is less sensitive to imprecise marking of features. First, 2D features are specified by the user in a number of key views in the source and target light fields. Then the two light fields are warped view by view as guided by the corresponding 2D features. Finally, the two warped light fields are blended together to yield the desired light field morph. Two key issues in light field morphing are feature specification and warping of light field rays. For feature specification, we introduce a user interface for delineating 2D features in key views of a light field, which are automatically interpolated to other views. For ray warping, we describe a 2D technique that accounts for visibility changes and present a comparison to the ideal morphing of light fields. Light field morphing based on 2D features makes it simple to incorporate previous image morphing techniques such as nonuniform blending, as well as to morph between an image and a light field. PMID:15631126
2D materials for nanophotonic devices
NASA Astrophysics Data System (ADS)
Xu, Renjing; Yang, Jiong; Zhang, Shuang; Pei, Jiajie; Lu, Yuerui
2015-12-01
Two-dimensional (2D) materials have become very important building blocks for electronic, photonic, and phononic devices. The 2D material family has four key members, including the metallic graphene, transition metal dichalcogenide (TMD) layered semiconductors, semiconducting black phosphorous, and the insulating h-BN. Owing to the strong quantum confinements and defect-free surfaces, these atomically thin layers have offered us perfect platforms to investigate the interactions among photons, electrons and phonons. The unique interactions in these 2D materials are very important for both scientific research and application engineering. In this talk, I would like to briefly summarize and highlight the key findings, opportunities and challenges in this field. Next, I will introduce/highlight our recent achievements. We demonstrated atomically thin micro-lens and gratings using 2D MoS2, which is the thinnest optical component around the world. These devices are based on our discovery that the elastic light-matter interactions in highindex 2D materials is very strong. Also, I would like to introduce a new two-dimensional material phosphorene. Phosphorene has strongly anisotropic optical response, which creates 1D excitons in a 2D system. The strong confinement in phosphorene also enables the ultra-high trion (charged exciton) binding energies, which have been successfully measured in our experiments. Finally, I will briefly talk about the potential applications of 2D materials in energy harvesting.
Inertial solvation in femtosecond 2D spectra
NASA Astrophysics Data System (ADS)
Hybl, John; Albrecht Ferro, Allison; Farrow, Darcie; Jonas, David
2001-03-01
We have used 2D Fourier transform spectroscopy to investigate polar solvation. 2D spectroscopy can reveal molecular lineshapes beneath ensemble averaged spectra and freeze molecular motions to give an undistorted picture of the microscopic dynamics of polar solvation. The transition from "inhomogeneous" to "homogeneous" 2D spectra is governed by both vibrational relaxation and solvent motion. Therefore, the time dependence of the 2D spectrum directly reflects the total response of the solvent-solute system. IR144, a cyanine dye with a dipole moment change upon electronic excitation, was used to probe inertial solvation in methanol and propylene carbonate. Since the static Stokes' shift of IR144 in each of these solvents is similar, differences in the 2D spectra result from solvation dynamics. Initial results indicate that the larger propylene carbonate responds more slowly than methanol, but appear to be inconsistent with rotational estimates of the inertial response. To disentangle intra-molecular vibrations from solvent motion, the 2D spectra of IR144 will be compared to the time-dependent 2D spectra of the structurally related nonpolar cyanine dye HDITCP.
Internal Photoemission Spectroscopy of 2-D Materials
NASA Astrophysics Data System (ADS)
Nguyen, Nhan; Li, Mingda; Vishwanath, Suresh; Yan, Rusen; Xiao, Shudong; Xing, Huili; Cheng, Guangjun; Hight Walker, Angela; Zhang, Qin
Recent research has shown the great benefits of using 2-D materials in the tunnel field-effect transistor (TFET), which is considered a promising candidate for the beyond-CMOS technology. The on-state current of TFET can be enhanced by engineering the band alignment of different 2D-2D or 2D-3D heterostructures. Here we present the internal photoemission spectroscopy (IPE) approach to determine the band alignments of various 2-D materials, in particular SnSe2 and WSe2, which have been proposed for new TFET designs. The metal-oxide-2-D semiconductor test structures are fabricated and characterized by IPE, where the band offsets from the 2-D semiconductor to the oxide conduction band minimum are determined by the threshold of the cube root of IPE yields as a function of photon energy. In particular, we find that SnSe2 has a larger electron affinity than most semiconductors and can be combined with other semiconductors to form near broken-gap heterojunctions with low barrier heights which can produce a higher on-state current. The details of data analysis of IPE and the results from Raman spectroscopy and spectroscopic ellipsometry measurements will also be presented and discussed.
Blue-noise halftoning for hexagonal grids.
Lau, Daniel L; Ulichney, Robert
2006-05-01
In this paper, we closely scrutinize the spatial and spectral properties of aperiodic halftoning schemes on rectangular and hexagonal sampling grids. Traditionally, hexagonal sampling grids have been shunned due to their inability to preserve the high-frequency components of blue-noise dither patterns at gray-levels near one-half, but as will be shown, only through the introduction of diagonal correlations between dots can even rectangular sampling grids preserve these frequencies. And by allowing the sampling grid to constrain the placement of dots, a particular algorithm may introduce visual artifacts just as disturbing as excess energy below the principal frequency. If, instead, the algorithm maintains radial symmetry by introducing a minimum degree of clustering, then that algorithm can maintain its grid defiance illusion fundamental to the spirit of the blue-noise model. As such, this paper shows that hexagonal grids are preferrable because they can support gray-levels near one-half with less required clustering of minority pixels and a higher principal frequency. Along with a thorough Fourier analysis of blue-noise dither patterns on both rectangular and hexagonal sampling grids, this paper also demonstrates the construction of a blue-noise dither array for hexagonal grids. PMID:16671307
Expansion of the hexagonal phase-forming region of Lu1-xScxFeO3 by containerless processing.
Masuno, Atsunobu; Ishimoto, Atsushi; Moriyoshi, Chikako; Kawaji, Hitoshi; Kuroiwa, Yoshihiro; Inoue, Hiroyuki
2015-10-01
Hexagonal Lu1-xScxFeO3 (0 ≤ x ≤ 0.8) was directly solidified from an undercooled melt by containerless processing with an aerodynamic levitation furnace. The hexagonal phase-forming region was considerably extended compared to that of the conventional solid-state reaction (x ∼ 0.5). Synchrotron X-ray diffraction measurements revealed that the crystal structure of the hexagonal phase was isomorphous to hexagonal ferroelectric RMnO3 (R = a rare earth ion) with a polar space group of P63cm. As x increased, the a-axis lattice constant decreased linearly, strengthening the antiferromagnetic interaction between the Fe(3+) ions on the a-b plane. Accordingly, the weak ferromagnetic transition temperature increased from 150 K for x = 0 to 175 K for x = 0.7. These transition temperatures were much higher than those of hexagonal Lu1-xScxMnO3. The results indicate that hexagonal Lu1-xScxFeO3 is a suitable alternative magnetic dielectric for use at higher temperatures. PMID:26376708
Unusual dimensionality effects and surface charge density in 2D Mg(OH)2
NASA Astrophysics Data System (ADS)
Suslu, Aslihan; Wu, Kedi; Sahin, Hasan; Chen, Bin; Yang, Sijie; Cai, Hui; Aoki, Toshihiro; Horzum, Seyda; Kang, Jun; Peeters, Francois M.; Tongay, Sefaattin
2016-02-01
We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice vibrations of Mg(OH)2 have fundamentally different signature peaks and dimensionality effects compared to other 2D material systems known to date. Sub-wavelength electron energy-loss spectroscopy measurements and theoretical calculations show that Mg(OH)2 is a 6 eV direct-gap insulator in 2D, and its optical band gap displays strong band renormalization effects from monolayer to bulk, marking the first experimental confirmation of confinement effects in 2D insulators. Interestingly, 2D-Mg(OH)2 sheets possess rather strong surface polarization (charge) effects which is in contrast to electrically neutral h-BN materials. Using 2D-Mg(OH)2 sheets together with CVD-MoS2 in the vertical stacking shows that a strong change transfer occurs from n-doped CVD-MoS2 sheets to Mg(OH)2, naturally depleting the semiconductor, pushing towards intrinsic doping limit and enhancing overall optical performance of 2D semiconductors. Results not only establish unusual confinement effects in 2D-Mg(OH)2, but also offer novel 2D-insulating material with unique physical, vibrational, and chemical properties for potential applications in flexible optoelectronics.
Unusual dimensionality effects and surface charge density in 2D Mg(OH)2
Suslu, Aslihan; Wu, Kedi; Sahin, Hasan; Chen, Bin; Yang, Sijie; Cai, Hui; Aoki, Toshihiro; Horzum, Seyda; Kang, Jun; Peeters, Francois M.; Tongay, Sefaattin
2016-01-01
We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice vibrations of Mg(OH)2 have fundamentally different signature peaks and dimensionality effects compared to other 2D material systems known to date. Sub-wavelength electron energy-loss spectroscopy measurements and theoretical calculations show that Mg(OH)2 is a 6 eV direct-gap insulator in 2D, and its optical band gap displays strong band renormalization effects from monolayer to bulk, marking the first experimental confirmation of confinement effects in 2D insulators. Interestingly, 2D-Mg(OH)2 sheets possess rather strong surface polarization (charge) effects which is in contrast to electrically neutral h-BN materials. Using 2D-Mg(OH)2 sheets together with CVD-MoS2 in the vertical stacking shows that a strong change transfer occurs from n-doped CVD-MoS2 sheets to Mg(OH)2, naturally depleting the semiconductor, pushing towards intrinsic doping limit and enhancing overall optical performance of 2D semiconductors. Results not only establish unusual confinement effects in 2D-Mg(OH)2, but also offer novel 2D-insulating material with unique physical, vibrational, and chemical properties for potential applications in flexible optoelectronics. PMID:26846617
Unusual dimensionality effects and surface charge density in 2D Mg(OH)2.
Suslu, Aslihan; Wu, Kedi; Sahin, Hasan; Chen, Bin; Yang, Sijie; Cai, Hui; Aoki, Toshihiro; Horzum, Seyda; Kang, Jun; Peeters, Francois M; Tongay, Sefaattin
2016-01-01
We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice vibrations of Mg(OH)2 have fundamentally different signature peaks and dimensionality effects compared to other 2D material systems known to date. Sub-wavelength electron energy-loss spectroscopy measurements and theoretical calculations show that Mg(OH)2 is a 6 eV direct-gap insulator in 2D, and its optical band gap displays strong band renormalization effects from monolayer to bulk, marking the first experimental confirmation of confinement effects in 2D insulators. Interestingly, 2D-Mg(OH)2 sheets possess rather strong surface polarization (charge) effects which is in contrast to electrically neutral h-BN materials. Using 2D-Mg(OH)2 sheets together with CVD-MoS2 in the vertical stacking shows that a strong change transfer occurs from n-doped CVD-MoS2 sheets to Mg(OH)2, naturally depleting the semiconductor, pushing towards intrinsic doping limit and enhancing overall optical performance of 2D semiconductors. Results not only establish unusual confinement effects in 2D-Mg(OH)2, but also offer novel 2D-insulating material with unique physical, vibrational, and chemical properties for potential applications in flexible optoelectronics. PMID:26846617
Arbitrary lattice symmetries via block copolymer nanomeshes
Majewski, Pawel W.; Rahman, Atikur; Black, Charles T.; Yager, Kevin G.
2015-01-01
Self-assembly of block copolymers is a powerful motif for spontaneously forming well-defined nanostructures over macroscopic areas. Yet, the inherent energy minimization criteria of self-assembly give rise to a limited library of structures; diblock copolymers naturally form spheres on a cubic lattice, hexagonally packed cylinders and alternating lamellae. Here, we demonstrate multicomponent nanomeshes with any desired lattice symmetry. We exploit photothermal annealing to rapidly order and align block copolymer phases over macroscopic areas, combined with conversion of the self-assembled organic phase into inorganic replicas. Repeated photothermal processing independently aligns successive layers, providing full control of the size, symmetry and composition of the nanoscale unit cell. We construct a variety of symmetries, most of which are not natively formed by block copolymers, including squares, rhombuses, rectangles and triangles. In fact, we demonstrate all possible two-dimensional Bravais lattices. Finally, we elucidate the influence of nanostructure on the electrical and optical properties of nanomeshes. PMID:26100566
Lattice Strain Defects in a Ceria Nanolayer
2016-01-01
An ultrathin two-dimensional CeO2 (ceria) phase on a Cu(110) surface has been fabricated and fully characterized by high-resolution scanning tunneling microscopy, photoelectron spectroscopy, and density functional theory. The atomic lattice structure of the ceria/Cu(110) system is revealed as a hexagonal CeO2(111)-type monolayer separated from the Cu(110) surface by a partly disordered Cu–O intercalated buffer layer. The epitaxial coupling of the two-dimensional ceria overlayer to the Cu(110)-O surface leads to a nanoscopic stripe pattern, which creates defect regions of quasi-periodic lattice distortions. The symmetry and lattice mismatch at the interface is clarified to be responsible for the topographic stripe geometry and the related anisotropic strain defect regions at the ceria surface. This ceria monolayer is in a fully oxidized and thermodynamically stable state. PMID:26988695
Micellar hexagonal phases in lyotropic liquid crystals
NASA Astrophysics Data System (ADS)
Amaral, L. Q.; Gulik, A.; Itri, R.; Mariani, P.
1992-09-01
The hexagonal cell parameter a of the system sodium dodecyl lauryl sulfate and water as a function of volume concentration cv in phase Hα shows the functional behavior expected for micelles of finite length: a~c-1/3v. The interpretation of x-ray data based on finite micelles leads to an alternative description of the hexagonal phase Hα: spherocylindrical micelles of constant radius with length that may grow along the range of the Hα phase. Results are compared with recent statistical-mechanical calculations for the isotropic I-Hα transition. The absence of diffraction in the direction perpendicular to the hexagonal plane is ascribed to polydispersity of micellar length, which also is a necessary condition for the occurrence of direct I-Hα transitions.
Brittle damage models in DYNA2D
Faux, D.R.
1997-09-01
DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.