Bottomonium above deconfinement in lattice nonrelativistic QCD.

PubMed

Aarts, G; Kim, S; Lombardo, M P; Oktay, M B; Ryan, S M; Sinclair, D K; Skullerud, J-I

2011-02-11

We study the temperature dependence of bottomonium for temperatures in the range 0.4T(c) < T < 2.1T(c), using nonrelativistic dynamics for the bottom quark and full relativistic lattice QCD simulations for Nf = 2 light flavors on a highly anisotropic lattice. We find that the Υ is insensitive to the temperature in this range, while the χb propagators show a crossover from the exponential decay characterizing the hadronic phase to a power-law behavior consistent with nearly free dynamics at T ≃ 2T(c).

Anomalous diffusion in a dynamical optical lattice

NASA Astrophysics Data System (ADS)

Zheng, Wei; Cooper, Nigel R.

2018-02-01

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

Experimental evidence for a transverse magnetization of the Abrikosov lattice in anisotropic superconductors

NASA Technical Reports Server (NTRS)

Farrel, D. E.; Williams, C. M.; Wolf, S. A.; Bansal, N. P.; Kogan, V. G.

1988-01-01

The torque on a superconductor in a magnetic field H has been thought to be dominated by trapped flux or sample shape effects, but it has recently been suggested that an anisotropic type-II material should experience an intrinsic torque for H(c1) much less than H, which in turn is less than H(c2). The predicted phenomenon results from transverse magnetization of the Abrikosov lattice. Measurements are presented on copper-oxide superconductors which delineate the experimental regime in which extrinsic effects are negligible and confirm the existence of the predicted intrinsic torque.

Dynamic Smagorinsky model on anisotropic grids

NASA Technical Reports Server (NTRS)

Scotti, A.; Meneveau, C.; Fatica, M.

1996-01-01

Large Eddy Simulation (LES) of complex-geometry flows often involves highly anisotropic meshes. To examine the performance of the dynamic Smagorinsky model in a controlled fashion on such grids, simulations of forced isotropic turbulence are performed using highly anisotropic discretizations. The resulting model coefficients are compared with a theoretical prediction (Scotti et al., 1993). Two extreme cases are considered: pancake-like grids, for which two directions are poorly resolved compared to the third, and pencil-like grids, where one direction is poorly resolved when compared to the other two. For pancake-like grids the dynamic model yields the results expected from the theory (increasing coefficient with increasing aspect ratio), whereas for pencil-like grids the dynamic model does not agree with the theoretical prediction (with detrimental effects only on smallest resolved scales). A possible explanation of the departure is attempted, and it is shown that the problem may be circumvented by using an isotropic test-filter at larger scales. Overall, all models considered give good large-scale results, confirming the general robustness of the dynamic and eddy-viscosity models. But in all cases, the predictions were poor for scales smaller than that of the worst resolved direction.

Dynamical anisotropic response of black phosphorus under magnetic field

NASA Astrophysics Data System (ADS)

Liu, Xuefeng; Lu, Wei; Zhou, Xiaoying; Zhou, Yang; Zhang, Chenglong; Lai, Jiawei; Ge, Shaofeng; Sekhar, M. Chandra; Jia, Shuang; Chang, Kai; Sun, Dong

2018-04-01

Black phosphorus (BP) has emerged as a promising material candidate for next generation electronic and optoelectronic devices due to its high mobility, tunable band gap and highly anisotropic properties. In this work, polarization resolved ultrafast mid-infrared transient reflection spectroscopy measurements are performed to study the dynamical anisotropic optical properties of BP under magnetic fields up to 9 T. The relaxation dynamics of photoexcited carrier is found to be insensitive to the applied magnetic field due to the broadening of the Landau levels and large effective mass of carriers. While the anisotropic optical response of BP decreases with increasing magnetic field, its enhancement due to the excitation of hot carriers is similar to that without magnetic field. These experimental results can be well interpreted by the magneto-optical conductivity of the Landau levels of BP thin film, based on an effective k · p Hamiltonian and linear response theory. These findings suggest attractive possibilities of multi-dimensional control of anisotropic response (AR) of BP with light, electric and magnetic field, which further introduces BP to the fantastic magnetic field sensitive applications.

Strong dynamics and lattice gauge theory

NASA Astrophysics Data System (ADS)

Schaich, David

In this dissertation I use lattice gauge theory to study models of electroweak symmetry breaking that involve new strong dynamics. Electroweak symmetry breaking (EWSB) is the process by which elementary particles acquire mass. First proposed in the 1960s, this process has been clearly established by experiments, and can now be considered a law of nature. However, the physics underlying EWSB is still unknown, and understanding it remains a central challenge in particle physics today. A natural possibility is that EWSB is driven by the dynamics of some new, strongly-interacting force. Strong interactions invalidate the standard analytical approach of perturbation theory, making these models difficult to study. Lattice gauge theory is the premier method for obtaining quantitatively-reliable, nonperturbative predictions from strongly-interacting theories. In this approach, we replace spacetime by a regular, finite grid of discrete sites connected by links. The fields and interactions described by the theory are likewise discretized, and defined on the lattice so that we recover the original theory in continuous spacetime on an infinitely large lattice with sites infinitesimally close together. The finite number of degrees of freedom in the discretized system lets us simulate the lattice theory using high-performance computing. Lattice gauge theory has long been applied to quantum chromodynamics, the theory of strong nuclear interactions. Using lattice gauge theory to study dynamical EWSB, as I do in this dissertation, is a new and exciting application of these methods. Of particular interest is non-perturbative lattice calculation of the electroweak S parameter. Experimentally S ≈ -0.15(10), which tightly constrains dynamical EWSB. On the lattice, I extract S from the momentum-dependence of vector and axial-vector current correlators. I created and applied computer programs to calculate these correlators and analyze them to determine S. I also calculated the masses

Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations.

PubMed

Linke, Max; Köfinger, Jürgen; Hummer, Gerhard

2018-05-31

We present a method to calculate the fully anisotropic rotational diffusion tensor from molecular dynamics simulations. Our approach is based on fitting the time-dependent covariance matrix of the quaternions that describe the rigid-body rotational dynamics. Explicit analytical expressions have been derived for the covariances by Favro, which are valid irrespective of the degree of anisotropy. We use these expressions to determine an optimal rotational diffusion tensor from trajectory data. The molecular structures are aligned against a reference by optimal rigid-body superposition. The quaternion covariances can then be obtained directly from the rotation matrices used in the alignment. The rotational diffusion tensor is determined by a fit to the time-dependent quaternion covariances, or directly by Laplace transformation and matrix diagonalization. To quantify uncertainties in the fit, we derive analytical expressions and compare them with the results of Brownian dynamics simulations of anisotropic rotational diffusion. We apply the method to microsecond long trajectories of the Dickerson-Drew B-DNA dodecamer and of horse heart myoglobin. The anisotropic rotational diffusion tensors calculated from simulations agree well with predictions from hydrodynamics.

Phase transition in 2-d system of quadrupoles on square lattice with anisotropic field

NASA Astrophysics Data System (ADS)

Sallabi, A. K.; Alkhttab, M.

2014-12-01

Monte Carlo method is used to study a simple model of two-dimensional interacting quadrupoles on ionic square lattice with anisotropic strength provided by the ionic lattice. Order parameter, susceptibility and correlation function data, show that this system form an ordered structure with p(2×1) symmetry at low temperature. The p(2×1) structure undergoes an order-disorder phase transition into disordered (1×1) phase at 8.3K. The two-point correlation function show exponential dependence on distance both above and below the transition temperature. At Tc the two-point correlation function shows a power law dependence on distance, e.g. C(r) ~ 1η. The value of the exponent η at Tc shows small deviation from the Ising value and indicates that this system falls into the same universality class as the XY model with cubic anisotropy. This model can be applied to prototypical quadrupoles physisorbed systems as N2 on NaCl(100).

Classical dimer model with anisotropic interactions on the square lattice

NASA Astrophysics Data System (ADS)

Otsuka, Hiromi

2009-07-01

We discuss phase transitions and the phase diagram of a classical dimer model with anisotropic interactions defined on a square lattice. For the attractive region, the perturbation of the orientational order parameter introduced by the anisotropy causes the Berezinskii-Kosterlitz-Thouless transitions from a dimer-liquid to columnar phases. According to the discussion by Nomura and Okamoto for a quantum-spin chain system [J. Phys. A 27, 5773 (1994)], we proffer criteria to determine transition points and also universal level-splitting conditions. Subsequently, we perform numerical diagonalization calculations of the nonsymmetric real transfer matrices up to linear dimension specified by L=20 and determine the global phase diagram. For the repulsive region, we find the boundary between the dimer-liquid and the strong repulsion phases. Based on the dispersion relation of the one-string motion, which exhibits a twofold “zero-energy flat band” in the strong repulsion limit, we give an intuitive account for the property of the strong repulsion phase.

Lattice dynamics and elasticity for ε-plutonium [First-principles lattice dynamics for ε-plutonium

DOE PAGES

Söderlind, Per

2017-04-25

Here, lattice dynamics and elasticity for the high-temperature ε phase (body-centered cubic; bcc) of plutonium is predicted utilizing first-principles electronic structure coupled with a self-consistent phonon method that takes phonon-phonon interaction and strong anharmonicity into account. These predictions establish the first sensible lattice-dynamics and elasticity data on ε-Pu. The atomic forces required for the phonon scheme are highly accurate and derived from the total energies obtained from relativistic and parameter-free density-functional theory. The results appear reasonable but no data exist to compare with except those from dynamical mean-field theory that suggest ε-plutonium is mechanically unstable. Fundamental knowledge and understanding ofmore » the high-temperature bcc phase, that is generally present in all actinide metals before melting, is critically important for a proper interpretation of the phase diagram as well as practical modeling of high-temperature properties.« less

Lattice dynamics of the rare-earth element samarium

NASA Astrophysics Data System (ADS)

Bauder, Olga; Piekarz, Przemysław; Barla, Alessandro; Sergueev, Ilya; Rüffer, Rudolf; ŁaŻewski, Jan; Baumbach, Tilo; Parlinski, Krzysztof; Stankov, Svetoslav

2013-12-01

The lattice dynamics of samarium is determined by in situ low-temperature nuclear inelastic scattering on a single crystalline (0001)Sm film, a polycrystalline Sm foil, and by first-principles theory. The ab initio calculated phonon dispersion relations and phonon density of states for the Sm-type structure and the double hexagonal-close-packed (dhcp) lattice, characteristic for light lanthanides, are compared. The dhcp unit cell, which is a factor of 2.24 smaller in height, exhibits more pronounced vibrational anisotropy in comparison to the Sm-type structure. The analysis reveals a minor influence of the spin-orbit coupling in the Sm atom on the lattice dynamics. A broadening of the longitudinal peak, not found in the calculations, suggests the influence of electron correlations on lattice dynamics in metallic samarium.

One dimensionalization in the spin-1 Heisenberg model on the anisotropic triangular lattice

NASA Astrophysics Data System (ADS)

Gonzalez, M. G.; Ghioldi, E. A.; Gazza, C. J.; Manuel, L. O.; Trumper, A. E.

2017-11-01

We investigate the effect of dimensional crossover in the ground state of the antiferromagnetic spin-1 Heisenberg model on the anisotropic triangular lattice that interpolates between the regime of weakly coupled Haldane chains (J'≪J ) and the isotropic triangular lattice (J'=J ). We use the density-matrix renormalization group (DMRG) and Schwinger boson theory performed at the Gaussian correction level above the saddle-point solution. Our DMRG results show an abrupt transition between decoupled spin chains and the spirally ordered regime at (J'/J) c˜0.42 , signaled by the sudden closing of the spin gap. Coming from the magnetically ordered side, the computation of the spin stiffness within Schwinger boson theory predicts the instability of the spiral magnetic order toward a magnetically disordered phase with one-dimensional features at (J'/J) c˜0.43 . The agreement of these complementary methods, along with the strong difference found between the intra- and the interchain DMRG short spin-spin correlations for sufficiently large values of the interchain coupling, suggests that the interplay between the quantum fluctuations and the dimensional crossover effects gives rise to the one-dimensionalization phenomenon in this frustrated spin-1 Hamiltonian.

Microscopic theory for coupled atomistic magnetization and lattice dynamics

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Lattice dynamics of colloidal crystals

NASA Astrophysics Data System (ADS)

Hurd, Alan J.; Clark, Noel A.; Mockler, Richard C.; O'Sullivan, William J.

1982-11-01

Photon correlation spectroscopy was performed on a dilute bcc colloidal crystal in a thin-film cell to measure its response to thermal fluctuations with wave vectors along lattice symmetry directions. The phonon dispersion curves show a definite harmonic-lattice behavior for longitudinal and transverse modes. We present a Langevin treatment of the lattice dynamics, based on harmonic potentials and a theory of hydrodynamic interactions which is exact to lowest order in sphere volume fraction and includes important unsteady flow effects. The model takes into consideration the discreteness of the lattice, which is important near the Brillouin-zone boundary, and has the correct behavior for long-wavelength fluctuations as well (underdamped transverse modes, overdamped longitudinal modes). The mass renormalization of propagating transverse lattice modes is discussed, along with the effects of the thin-film configuration on their propagation. The role of backflow in overdamping longitudinal modes is made clear. From the measured dispersion curves for longitudinal wave vectors, we obtained the following elastic constants: c11=6.96 dyn/cm2 and c12=c44=2.43 dyn/cm2.

Dynamic Behavior of Engineered Lattice Materials

PubMed Central

Hawreliak, J. A.; Lind, J.; Maddox, B.; Barham, M.; Messner, M.; Barton, N.; Jensen, B. J.; Kumar, M.

2016-01-01

Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. The experimental observations made on arrays of 4 × 4 × 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations. PMID:27321697

Kink dynamics in a topological φ4 lattice

NASA Astrophysics Data System (ADS)

Adib, A. B.; Almeida, C. A. S.

2001-09-01

Recently proposed was a discretization for nonlinear Klein-Gordon field theories in which the resulting lattice preserves the topological (Bogomol'nyi) lower bound on the kink energy and, as a consequence, has no Peierls-Nabarro barrier even for large spatial discretizations (h~1.0). It was then suggested that these ``topological discrete systems'' are a natural choice for the numerical study of continuum kink dynamics. Giving particular emphasis to the φ4 theory, we numerically investigate kink-antikink scattering and breather formation in these topological lattices. Our results indicate that, even though these systems are quite accurate for studying free kinks in coarse lattices, for legitimate dynamical kink problems the accuracy is rather restricted to fine lattices (h~0.1). We suggest that this fact is related to the breaking of the Bogomol'nyi bound during the kink-antikink interaction, where the field profile loses its static property as required by the Bogomol'nyi argument. We conclude, therefore, that these lattices are not suitable for the study of more general kink dynamics, since a standard discretization is simpler and has effectively the same accuracy for such resolutions.

Application of time dependent Green's function method to scattering of elastic waves in anisotropic solids

NASA Astrophysics Data System (ADS)

Tewary, Vinod K.; Fortunko, Christopher M.

The present, time-dependent 3D Green's function method resembles that used to study the propagation of elastic waves in a general, anisotropic half-space in the lattice dynamics of crystals. The method is used to calculate the scattering amplitude of elastic waves from a discontinuity in the half-space; exact results are obtained for 3D pulse propagation in a general, anisotropic half-space that contains either an interior point or a planar scatterer. The results thus obtained are applicable in the design of ultrasonic scattering experiments, especially as an aid in the definition of the spatial and time-domain transducer responses that can maximize detection reliability for specific categories of flaws in highly anisotropic materials.

Wave propagation in equivalent continuums representing truss lattice materials

DOE PAGES

Messner, Mark C.; Barham, Matthew I.; Kumar, Mukul; ...

2015-07-29

Stiffness scales linearly with density in stretch-dominated lattice meta-materials offering the possibility of very light yet very stiff structures. Current additive manufacturing techniques can assemble structures from lattice materials, but the design of such structures will require accurate, efficient simulation methods. Equivalent continuum models have several advantages over discrete truss models of stretch dominated lattices, including computational efficiency and ease of model construction. However, the development an equivalent model suitable for representing the dynamic response of a periodic truss in the small deformation regime is complicated by microinertial effects. This study derives a dynamic equivalent continuum model for periodic trussmore » structures suitable for representing long-wavelength wave propagation and verifies it against the full Bloch wave theory and detailed finite element simulations. The model must incorporate microinertial effects to accurately reproduce long wavelength characteristics of the response such as anisotropic elastic soundspeeds. Finally, the formulation presented here also improves upon previous work by preserving equilibrium at truss joints for simple lattices and by improving numerical stability by eliminating vertices in the effective yield surface.« less

The Lattice Dynamics of Colloidal Crystals.

NASA Astrophysics Data System (ADS)

Hurd, Alan James

Colloidal crystals are ordered arrays of highly charged microspheres in water that exhibit spectacular optical diffraction effects by virtue of a large lattice parameter. The microspheres perform Brownian motion that is influenced by the interparticle and fluid forces. The purpose of this study was to understand the nature of the collective motions in colloidal crystals in terms of classical lattice dynamics. In the theoretical analysis, the particle displacements due to Brownian motion were formally decomposed into phonon -like lattice disturbances analogous to the phonons in atomic and molecular solids except that they are heavily damped. The analysis was based on a harmonic solid model with special attention paid to the hydrodynamic interaction between particles. A hydrodynamic model using the Oseen interaction was worked for a three-dimensional lattice but it failed in two important respects: it overestimated the friction factor for long wavelength modes and did not predict a previously observed propagating transverse mode. Both of these failures were corrected by a hydrodynamic model based on periodic solutions to the Stokes equation. In addition, the effects of fluid inertia and constraining walls were considered. Intensity autocorrelation spectroscopy was used to probe the lattice dynamics by measuring the phonon dispersion curves. A thin-film cell was used to reduce multiple scattering to acceptable levels. An experiment to measure wall effects on Brownian motion was necessary to determine the decrease in diffusion rate inherent in the thin-film geometry. The wall effects were found to agree with macroscopic hydrodynamics. An additional experiment measured the elastic anisotropy of the crystal lattice from the thermal diffuse scattering. The theoretical dispersion curves were found to agree well with the measured curves.

Spin Structures and Phase Diagrams of Extended Spatially Completely Anisotropic Triangular Lattice Antiferromagnets

NASA Astrophysics Data System (ADS)

Sakakida, Keishiro; Shimahara, Hiroshi

2017-12-01

Motivated by recently discovered organic antiferromagnets, we examine an extended triangular lattice that consists of two types of triangles of bonds with exchange coupling constants Jℓ and J'ℓ (ℓ= 1, 2, and 3), respectively. The simplified system with Jℓ = J'ℓ > 0 is the spatially completely anisotropic triangular lattice (SCATL) antiferromagnet examined previously. The extended system, which we call an extended SCATL (ESCATL), has two different spatial anisotropy parameters J3/J2 and J'3/J'2 when J1 = J'1 is assumed. We derive classical phase diagrams and spin structures. It is found that the ESCATL antiferromagnet exhibits two up-up-down-down (uudd) phases when the imbalance of the anisotropy parameters is significant, in addition to the three Néel phases that occur in the SCATL. When the model parameters vary, these collinear phases are continuously connected by the spiral-spin phase. Using the available model parameters for the organic compounds λ-(BETS)2XCl4 (X = Fe and Ga), we examine the stabilities of the spin structures of the independent π-electron system, which is considered to primarily sustain the magnetic order, where BETS represents bis(ethylenedithio)tetraselenafulvalene. It is found that one of the uudd phases has an energy close to the ground-state energy for λ-(BETS)2FeCl4. We discuss the relevance of the magnetic anion FeCl4 and the quantum fluctuation to the magnetism of these compounds. When J'3 = 0, the system is reduced to a trellis lattice antiferromagnet. The system exhibits a stripe spiral-spin phase, which comprises one-dimensional spiral-spin states stacked alternately.

Dynamical Defects in Rotating Magnetic Skyrmion Lattices

NASA Astrophysics Data System (ADS)

Pöllath, S.; Wild, J.; Heinen, L.; Meier, T. N. G.; Kronseder, M.; Tutsch, L.; Bauer, A.; Berger, H.; Pfleiderer, C.; Zweck, J.; Rosch, A.; Back, C. H.

2017-05-01

The chiral magnet Cu2 OSeO3 hosts a Skyrmion lattice that may be equivalently described as a superposition of plane waves or a lattice of particlelike topological objects. A thermal gradient may break up the Skyrmion lattice and induce rotating domains, raising the question of which of these scenarios better describes the violent dynamics at the domain boundaries. Here, we show that in an inhomogeneous temperature gradient caused by illumination in a Lorentz transmission electron microscope different parts of the Skyrmion lattice can be set into motion with different angular velocities. Tracking the time dependence, we show that the constant rearrangement of domain walls is governed by dynamic 5-7 defects arranging into lines. An analysis of the associated defect density is described by Frank's equation and agrees well with classical 2D Monte Carlo simulations. Fluctuations of boundaries show a surgelike rearrangement of Skyrmion clusters driven by defect rearrangement consistent with simulations treating Skyrmions as point particles. Our findings underline the particle character of the Skyrmion.

Immature HIV-1 lattice assembly dynamics are regulated by scaffolding from nucleic acid and the plasma membrane

PubMed Central

Pak, Alexander J.; Grime, John M. A.; Sengupta, Prabuddha; Chen, Antony K.; Durumeric, Aleksander E. P.; Srivastava, Anand; Yeager, Mark; Briggs, John A. G.; Lippincott-Schwartz, Jennifer; Voth, Gregory A.

2017-01-01

The packaging and budding of Gag polyprotein and viral RNA is a critical step in the HIV-1 life cycle. High-resolution structures of the Gag polyprotein have revealed that the capsid (CA) and spacer peptide 1 (SP1) domains contain important interfaces for Gag self-assembly. However, the molecular details of the multimerization process, especially in the presence of RNA and the cell membrane, have remained unclear. In this work, we investigate the mechanisms that work in concert between the polyproteins, RNA, and membrane to promote immature lattice growth. We develop a coarse-grained (CG) computational model that is derived from subnanometer resolution structural data. Our simulations recapitulate contiguous and hexameric lattice assembly driven only by weak anisotropic attractions at the helical CA–SP1 junction. Importantly, analysis from CG and single-particle tracking photoactivated localization (spt-PALM) trajectories indicates that viral RNA and the membrane are critical constituents that actively promote Gag multimerization through scaffolding, while overexpression of short competitor RNA can suppress assembly. We also find that the CA amino-terminal domain imparts intrinsic curvature to the Gag lattice. As a consequence, immature lattice growth appears to be coupled to the dynamics of spontaneous membrane deformation. Our findings elucidate a simple network of interactions that regulate the early stages of HIV-1 assembly and budding. PMID:29114055

Theory of anisotropic hybridization-broadened magnetic response in cerium and actinide systems

NASA Astrophysics Data System (ADS)

Hu, Gong-Jia; Cooper, Bernard R.

1993-11-01

Inelastic-neutron-scattering measurements on cerium and plutonium monopnictides, thought to have moderately delocalized f electrons, yield magnetic-excitation spectra with anisotropic dispersion; while reasonably sharp excitations have been observed only for USb and UTe among presumably more-delocalized uranium monopnictides and monochalcogenides. For UTe the broadening as well as the dispersion is quite anisotropic. We have now extended our previous theory for the magnetic behavior of hybridizing partially delocalized f-electron systems to include hybridization-induced relaxation effects in the magnetic response, and this work and results are reported in the present paper. Each partially delocalized f-electron ion is coupled by hybridization to the band sea; and this both leads to a hybridization-mediated anisotropic two-ion interaction giving magnetic ordering and also gives a damping mechanism, via the coupling to the band sea, for the excitations of the magnetically ordered lattice. This coupling also provides a strong renormalization of the magnetic-excitation energies obtained for the ionic lattice coupled by the two-ion interaction. To treat these effects on the magnetic response we have developed a formalism for calculating the dynamic susceptibility based on the projection-operator method developed by Mori and others. We have applied our model and theory to the behavior of CeSb, CeBi, PuSb, UP, UAs, and UTe; and excellent overall agreement with the wide range of unusual experimentally observed anisotropic magnetic-excitation behavior is obtained.

DNA-nanoparticle superlattices formed from anisotropic building blocks

NASA Astrophysics Data System (ADS)

Jones, Matthew R.; Macfarlane, Robert J.; Lee, Byeongdu; Zhang, Jian; Young, Kaylie L.; Senesi, Andrew J.; Mirkin, Chad A.

2010-11-01

Directional bonding interactions in solid-state atomic lattices dictate the unique symmetries of atomic crystals, resulting in a diverse and complex assortment of three-dimensional structures that exhibit a wide variety of material properties. Methods to create analogous nanoparticle superlattices are beginning to be realized, but the concept of anisotropy is still largely underdeveloped in most particle assembly schemes. Some examples provide interesting methods to take advantage of anisotropic effects, but most are able to make only small clusters or lattices that are limited in crystallinity and especially in lattice parameter programmability. Anisotropic nanoparticles can be used to impart directional bonding interactions on the nanoscale, both through face-selective functionalization of the particle with recognition elements to introduce the concept of valency, and through anisotropic interactions resulting from particle shape. In this work, we examine the concept of inherent shape-directed crystallization in the context of DNA-mediated nanoparticle assembly. Importantly, we show how the anisotropy of these particles can be used to synthesize one-, two- and three-dimensional structures that cannot be made through the assembly of spherical particles.

Excited state baryon spectroscopy from lattice QCD

DOE PAGES

Robert G. Edwards; Dudek, Jozef J.; Richards, David G.; ...

2011-10-31

Here, we present a calculation of the Nucleon and Delta excited state spectrum on dynamical anisotropic clover lattices. A method for operator construction is introduced that allows for the reliable identification of the continuum spins of baryon states, overcoming the reduced symmetry of the cubic lattice. Using this method, we are able to determine a spectrum of single-particle states for spins up to and including $J = 7/2$, of both parities, the first time this has been achieved in a lattice calculation. We find a spectrum of states identifiable as admixtures of $SU(6) Ⓧ O(3)$ representations and a counting ofmore » levels that is consistent with the non-relativistic $qqq$ constituent quark model. This dense spectrum is incompatible with quark-diquark model solutions to the "missing resonance problem" and shows no signs of parity doubling of states.« less

Anisotropic Josephson-vortex dynamics in layered organic superconductors

NASA Astrophysics Data System (ADS)

Yasuzuka, S.; Uji, S.; Satsukawa, H.; Kimata, M.; Terashima, T.; Koga, H.; Yamamura, Y.; Saito, K.; Akutsu, H.; Yamada, J.

2010-06-01

To study the anisotropic Josephson-vortex dynamics in the d-wave superconductors, the interplane resistance has been measured on layered organic superconductors κ-(ET)2Cu(NCS)2 and β-(BDA-TTP)2SbF6 under magnetic fields precisely parallel to the conducting planes. For κ-(ET)2Cu(NCS)2, in-plane angular dependence of the Josephson-vortex flow resistance is mainly described by the fourfold symmetry and dip structures appear when the magnetic field is applied parallel to the b- and c-axes. The obtained results have a relation to the d-wave superconducting gap symmetry. However, the absence of in-plane fourfold anisotropy was found for β-(BDA-TTP)2SbF6. The different anisotropic behavior is discussed in terms of the interlayer coupling strength.

Soliton Dynamics of an Atomic Spinor Condensate on a Ring Lattice

DTIC Science & Technology

2013-02-22

REPORT Soliton dynamics of an atomic spinor condensate on a Ring Lattice 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: We study the dynamics of...8/98) Prescribed by ANSI Std. Z39.18 - Soliton dynamics of an atomic spinor condensate on a Ring Lattice Report Title ABSTRACT We study the dynamics...Report Number Soliton dynamics of an atomic spinor condensat Block 13: Supplementary Note © 2013 . Published in Physical Review A (accepted), Vol. Ed

Emergent dynamic structures and statistical law in spherical lattice gas automata

NASA Astrophysics Data System (ADS)

Yao, Zhenwei

2017-12-01

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

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

PubMed

Yao, Zhenwei

2017-12-01

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

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

NASA Astrophysics Data System (ADS)

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

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

Lattice dynamics and thermoelectric properties of nanocrystalline silicon-germanium alloys: Lattice dynamics and thermoelectric properties of nc Si-Ge alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Claudio, Tania; Stein, Niklas; Petermann, Nils

2015-10-26

The lattice dynamics and thermoelectric properties of sintered phosphorus-doped nanostructured silicon–germanium alloys obtained by gas-phase synthesis were studied. Measurements of the density of phonon states by inelastic neutron scattering were combined with measurements of the elastic constants and the low-temperature heat capacity. A strong influence of nanostructuring and alloying on the lattice dynamics was observed. The thermoelectric transport properties of samples with different doping as well as samples sintered at different temperature were characterized between room temperature and 1000°C. A peak figure of merit zT=0.88 at 900°C is observed and is comparatively insensitive to the aforementioned parameter variations.

Anomalously large anisotropic magnetoresistance in a perovskite manganite

PubMed Central

Li, Run-Wei; Wang, Huabing; Wang, Xuewen; Yu, X. Z.; Matsui, Y.; Cheng, Zhao-Hua; Shen, Bao-Gen; Plummer, E. Ward; Zhang, Jiandi

2009-01-01

The signature of correlated electron materials (CEMs) is the coupling between spin, charge, orbital and lattice resulting in exotic functionality. This complexity is directly responsible for their tunability. We demonstrate here that the broken symmetry, through cubic to orthorhombic distortion in the lattice structure in a prototype manganite single crystal, La0.69Ca0.31MnO3, leads to an anisotropic magneto-elastic response to an external field, and consequently to remarkable magneto-transport behavior. An anomalous anisotropic magnetoresistance (AMR) effect occurs close to the metal-insulator transition (MIT) in the system, showing a direct correlation with the anisotropic field-tuned MIT in the system and can be understood by means of a simple phenomenological model. A small crystalline anisotropy stimulates a “colossal” AMR near the MIT phase boundary of the system, thus revealing the intimate interplay between magneto- and electronic-crystalline couplings. PMID:19706504

Lattice model for calcium dynamics

NASA Astrophysics Data System (ADS)

Guisoni, Nara; de Oliveira, Mario José

2005-06-01

We present a simplified lattice model to study calcium dynamics in the endoplasmic reticulum membrane. Calcium channels and calcium ions are placed in two interpenetrating square lattices which are connected in two ways: (i) via calcium release and (ii) because transitions between channel states are calcium dependent. The opening or closing of a channel is a stochastic process controlled by two functions which depend on the calcium density on the channel neighborhood. The model is studied through mean field calculations and simulations. We show that the critical behavior of the model changes drastically depending on the opening/closing functions. For certain choices of these functions, all channels are closed at very low and high calcium densities and the model presents one absorbing state.

First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

NASA Astrophysics Data System (ADS)

Tadano, Terumasa; Tsuneyuki, Shinji

2018-04-01

We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory, and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreement with experimental data is obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way of studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

Lattice dynamical and dielectric properties of L-amino acids

NASA Astrophysics Data System (ADS)

Tulip, P. R.; Clark, S. J.

2006-08-01

We present the results of ab initio calculations of the lattice dynamical and dielectric properties of the L-amino acids L-alanine, L-leucine, and L-isoleucine. Normal-mode frequencies and dielectric permittivity tensors are obtained using density-functional perturbation theory implemented within the plane-wave pseudopotential approximation. IR spectra are calculated and are used to analyze the effects of intermolecular interactions and zwitterionization upon the lattice dynamics. It is found that vibronic modes associated with the carboxy and amino functional groups undergo modification from their free-molecule values due to the presence of hydrogen bonds. The role of macroscopic electric fields set up by zone-center normal modes in the lattice dynamics is investigated by analysis of the Born effective charge. Calculated permittivity tensors are found to be greater than would be obtained by a naive use of the isolated molecular values, indicating the role of intermolecular interactions in increasing molecular polarizability.

Nucleon-nucleon scattering from fully dynamical lattice QCD.

PubMed

Beane, S R; Bedaque, P F; Orginos, K; Savage, M J

2006-07-07

We present results of the first fully dynamical lattice QCD determination of nucleon-nucleon scattering lengths in the 1S0 channel and 3S1 - 3D1 coupled channels. The calculations are performed with domain-wall valence quarks on the MILC staggered configurations with a lattice spacing of b = 0.125 fm in the isospin-symmetric limit, and in the absence of electromagnetic interactions.

Quantum magnetic phase transition in square-octagon lattice.

PubMed

Bao, An; Tao, Hong-Shuai; Liu, Hai-Di; Zhang, XiaoZhong; Liu, Wu-Ming

2014-11-05

Quantum magnetic phase transition in square-octagon lattice was investigated by cellular dynamical mean field theory combining with continuous time quantum Monte Carlo algorithm. Based on the systematic calculation on the density of states, the double occupancy and the Fermi surface evolution of square-octagon lattice, we presented the phase diagrams of this splendid many particle system. The competition between the temperature and the on-site repulsive interaction in the isotropic square-octagon lattice has shown that both antiferromagnetic and paramagnetic order can be found not only in the metal phase, but also in the insulating phase. Antiferromagnetic metal phase disappeared in the phase diagram that consists of the anisotropic parameter λ and the on-site repulsive interaction U while the other phases still can be detected at T = 0.17. The results found in this work may contribute to understand well the properties of some consuming systems that have square-octagon structure, quasi square-octagon structure, such as ZnO.

An elementary singularity-free Rotational Brownian Dynamics algorithm for anisotropic particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ilie, Ioana M.; Briels, Wim J.; MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede

2015-03-21

Brownian Dynamics is the designated technique to simulate the collective dynamics of colloidal particles suspended in a solution, e.g., the self-assembly of patchy particles. Simulating the rotational dynamics of anisotropic particles by a first-order Langevin equation, however, gives rise to a number of complications, ranging from singularities when using a set of three rotational coordinates to subtle metric and drift corrections. Here, we derive and numerically validate a quaternion-based Rotational Brownian Dynamics algorithm that handles these complications in a simple and elegant way. The extension to hydrodynamic interactions is also discussed.

Anisotropic 2H-nuclear magnetic resonance spin-lattice relaxation in cerebroside- and phospholipid-cholesterol bilayer membranes.

PubMed

Siminovitch, D J; Ruocco, M J; Olejniczak, E T; Das Gupta, S K; Griffin, R G

1988-09-01

The axially symmetric powder pattern 2H-nuclear magnetic resonance (NMR) lineshapes observed in the liquid crystalline phase of pure lipid or lipid/cholesterol bilayers are essentially invariant to temperature, or, equivalently, to variations in the correlation times characterizing C-2H bond reorientations. In either of these melted phases, where correlation times for C-2H bond motions are shorter than 10(-7) s, information on the molecular dynamics of the saturated hydrocarbon chain would be difficult to obtain using lineshape analyses alone, and one must resort to other methods, such as the measurement of 2H spin-lattice relaxation rates, in order to obtain dynamic information. In pure lipid bilayers, the full power of the spin-lattice relaxation technique has yet to be realized, since an important piece of information, namely the orientation dependence of the 2H spin-lattice relaxation rates is usually lost due to orientational averaging of T1 by rapid lateral diffusion. Under more favorable circumstances, such as those encountered in the lipid/cholesterol mixtures of this study, the effects of orientational averaging by lateral diffusion are nullified, due to either a marked reduction (by at least an order of magnitude) in the diffusion rate, or a marked increase in the radii of curvature of the liposomes. In either case, the angular dependence of 2H spin-lattice relaxation is accessible to experimental study, and can be used to test models of molecular dynamics in these systems. Simulations of the partially recovered lineshapes indicate that the observed T1 anisotropies are consistent with large amplitude molecular reorientation of the C-2H bond among a finite number of sites. Furthermore, from the observed orientation dependence of the 2H spin-lattice relaxation rates, we conclude that order director fluctuations cannot provide the dominant relaxation pathway for acyl chain deuterons.

Boundary element modelling of dynamic behavior of piecewise homogeneous anisotropic elastic solids

NASA Astrophysics Data System (ADS)

Igumnov, L. A.; Markov, I. P.; Litvinchuk, S. Yu

2018-04-01

A traditional direct boundary integral equations method is applied to solve three-dimensional dynamic problems of piecewise homogeneous linear elastic solids. The materials of homogeneous parts are considered to be generally anisotropic. The technique used to solve the boundary integral equations is based on the boundary element method applied together with the Radau IIA convolution quadrature method. A numerical example of suddenly loaded 3D prismatic rod consisting of two subdomains with different anisotropic elastic properties is presented to verify the accuracy of the proposed formulation.

Anisotropic magnetic properties of the triangular plane lattice material TmMgGaO 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cevallos, F. Alex; Stolze, Karoline; Kong, Tai

Here, the crystal growth, structure, and basic magnetic properties of TmMgGaO 4 are reported. The Tm ions are located in a planar triangular lattice consisting of distorted TmO6 octahedra, while the Mg and Ga atoms randomly occupy intermediary bilayers of M-O triangular bipyramids. The Tm ions are positionally disordered. The material displays an antiferromagnetic Curie Weiss theta of ~ -20 -25 K, with no clear ordering visible in the magnetic susceptibility down to 1.8 K; the structure and magnetic properties suggest that ordering of the magnetic moments is frustrated by both structural disorder and the triangular magnetic motif. Single crystalmore » magnetization measurements indicate that the magnetic properties are highly anisotropic, with large moments measured perpendicular to the triangular planes. At 2 K, a broad step-like feature is seen in the field-dependent magnetization perpendicular to the plane on applied field near 2 Tesla.« less

Anisotropic magnetic properties of the triangular plane lattice material TmMgGaO 4

DOE PAGES

Cevallos, F. Alex; Stolze, Karoline; Kong, Tai; ...

2018-04-30

Here, the crystal growth, structure, and basic magnetic properties of TmMgGaO 4 are reported. The Tm ions are located in a planar triangular lattice consisting of distorted TmO6 octahedra, while the Mg and Ga atoms randomly occupy intermediary bilayers of M-O triangular bipyramids. The Tm ions are positionally disordered. The material displays an antiferromagnetic Curie Weiss theta of ~ -20 -25 K, with no clear ordering visible in the magnetic susceptibility down to 1.8 K; the structure and magnetic properties suggest that ordering of the magnetic moments is frustrated by both structural disorder and the triangular magnetic motif. Single crystalmore » magnetization measurements indicate that the magnetic properties are highly anisotropic, with large moments measured perpendicular to the triangular planes. At 2 K, a broad step-like feature is seen in the field-dependent magnetization perpendicular to the plane on applied field near 2 Tesla.« less

Anisotropic thermal transport property of defect-free GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ju, Wenjing; Zhou, Zhongyuan, E-mail: zyzhou@seu.edu.cn, E-mail: zywei@seu.edu.cn; Wei, Zhiyong, E-mail: zyzhou@seu.edu.cn, E-mail: zywei@seu.edu.cn

2016-06-15

Non-equilibrium molecular dynamics (MD) simulation is performed to calculate the thermal conductivity of defect-free GaN along three high-symmetry directions. It is found that the thermal conductivity along [001] direction is about 25% higher than that along [100] or [120] direction. The calculated phonon dispersion relation and iso-energy surface from lattice dynamics show that the difference of the sound speeds among the three high-symmetry directions is quite small for the same mode. However, the variation of phonon irradiation with direction is qualitatively consistent with that of the calculated thermal conductivity. Our results indicate that the anisotropic thermal conductivity may partly resultmore » from the phonons in the low-symmetry region of the first Brillouin zone due to phonon focus effects, even though the elastic properties along the three high-symmetry directions are nearly isotropic. Thus, the phonon irradiation is able to better describe the property of thermal conductivity as compared to the commonly used phonon dispersion relation. The present investigations uncover the physical origin of the anisotropic thermal conductivity in defect-free GaN, which would provide an important guide for optimizing the thermal management of GaN-based device.« less

Dynamic hysteresis behaviors in the kinetic Ising system on triangular lattice

NASA Astrophysics Data System (ADS)

Kantar, Ersin; Ertaş, Mehmet

2018-04-01

We studied dynamic hysteresis behaviors of the spin-1 Blume-Capel (BC) model in a triangular lattice by means of the effective-field theory (EFT) with correlations and using Glauber-type stochastic dynamics. The effects of the exchange interaction (J), crystal field (D), temperature (T) and oscillating frequency (w) on the hysteresis behaviors of the BC model in a triangular lattice are investigated in detail. Results are compared with some other dynamic studies and quantitatively good agreement is found.

Dynamic diffraction effects and coherent breathing oscillations in ultrafast electron diffraction in layered 1T-TaSeTe

PubMed Central

Wei, Linlin; Sun, Shuaishuai; Guo, Cong; Li, Zhongwen; Sun, Kai; Liu, Yu; Lu, Wenjian; Sun, Yuping; Tian, Huanfang; Yang, Huaixin; Li, Jianqi

2017-01-01

Anisotropic lattice movements due to the difference between intralayer and interlayer bonding are observed in the layered transition-metal dichalcogenide 1T-TaSeTe following femtosecond laser pulse excitation. Our ultrafast electron diffraction investigations using 4D-transmission electron microscopy (4D-TEM) clearly reveal that the intensity of Bragg reflection spots often changes remarkably due to the dynamic diffraction effects and anisotropic lattice movement. Importantly, the temporal diffracted intensity from a specific crystallographic plane depends on the deviation parameter s, which is commonly used in the theoretical study of diffraction intensity. Herein, we report on lattice thermalization and structural oscillations in layered 1T-TaSeTe, analyzed by dynamic diffraction theory. Ultrafast alterations of satellite spots arising from the charge density wave in the present system are also briefly discussed. PMID:28470025

Ab initio calculations of the lattice dynamics of silver halides

NASA Astrophysics Data System (ADS)

Gordienko, A. B.; Kravchenko, N. G.; Sedelnikov, A. N.

2010-12-01

Based on ab initio pseudopotential calculations, the results of investigations of the lattice dynamics of silver halides AgHal (Hal = Cl, Br, I) are presented. Equilibrium lattice parameters, phonon spectra, frequency densities and effective atomic-charge values are obtained for all types of crystals under study.

Pressure effects on structural, electronic, elastic and lattice dynamical properties of XSi2 (X = Cr, Mo, W) from first principles

NASA Astrophysics Data System (ADS)

Zhu, Haiyan; Shi, Liwei; Li, Shuaiqi; Zhang, Shaobo; Xia, Wangsuo

2018-04-01

First-principles calculations have been performed to study the structure, elastic and lattice dynamical properties of C40 XSi2 (X=Cr, Mo, W) under hydrostatic pressure. The obtained structural parameters are in line with existing experimental and theoretical data. The evolutions of fundamental bandgap energies, elastic moduli, IR absorption spectra with pressure have been investigated in detail. Our results indicate that the energy gaps of XSi2 (X=Cr, Mo, W) show different trends as the pressure increases. Larger BH/GH ratio and Poisson’s ratio are achieved with pressure, suggesting an improved ductility for XSi2 (X=Cr, Mo, W). Moreover, a large elastic anisotropy under pressure is exhibited in Young’s anisotropic factors. The infrared-active phonon frequencies exhibit substantial blueshifts under pressure.

Finite-element lattice Boltzmann simulations of contact line dynamics

NASA Astrophysics Data System (ADS)

Matin, Rastin; Krzysztof Misztal, Marek; Hernández-García, Anier; Mathiesen, Joachim

2018-01-01

The lattice Boltzmann method has become one of the standard techniques for simulating a wide range of fluid flows. However, the intrinsic coupling of momentum and space discretization restricts the traditional lattice Boltzmann method to regular lattices. Alternative off-lattice Boltzmann schemes exist for both single- and multiphase flows that decouple the velocity discretization from the underlying spatial grid. The current study extends the applicability of these off-lattice methods by introducing a finite element formulation that enables simulating contact line dynamics for partially wetting fluids. This work exemplifies the implementation of the scheme and furthermore presents benchmark experiments that show the scheme reduces spurious currents at the liquid-vapor interface by at least two orders of magnitude compared to a nodal implementation and allows for predicting the equilibrium states accurately in the range of moderate contact angles.

Phase stability in the two-dimensional anisotropic boson Hubbard Hamiltonian

DOE PAGES

Ying, T.; Batrouni, G. G.; Rousseau, V. G.; ...

2013-05-15

The two dimensional square lattice hard-core boson Hubbard model with near neighbor interactions has a ‘checkerboard’ charge density wave insulating phase at half-filling and sufficiently large intersite repulsion. When doped, rather than forming a supersolid phase in which long range charge density wave correlations coexist with a condensation of superfluid defects, the system instead phase separates. However, it is known that there are other lattice geometries and interaction patterns for which such coexistence takes place. In this paper we explore the possibility that anisotropic hopping or anisotropic near neighbor repulsion might similarly stabilize the square lattice supersolid. Lastly, by consideringmore » the charge density wave structure factor and superfluid density for different ratios of interaction strength and hybridization in the ˆx and ˆy directions, we conclude that phase separation still occurs.« less

Large-N solution of the Sp(N) Heisenberg quantum antiferromagnet on the anisotropic triangular lattice in a magnetic field.

NASA Astrophysics Data System (ADS)

Chung, Chung-Hou; Marston, Brad

2002-03-01

We study the Sp(N) generalization of the physical Sp(1) \\cong SU(2) Heisenberg antiferromagnet on the anisotropic triangular lattice( C. H. Chung, J. B. Marston and R. H. McKenzie, Journal of Physics: Condensed Matter 13), 5159 (2001). in a magnetic field. The model is relevant for describing recent experiments on the magnetic phases of the quasi-2D system Cs_2CuCl4 in a magnetic field(R. Coldea, D. A. Tennant, A. M. Tsvelik, and Z. Tylczynski, Phys. Rev. Lett. 86), 1335 (2001).. We solve the model in the large-N limit and study the effect of a magnetic field on the incommensurate magnetic order. Below a critical field the spins form a ``cone'' of polarization, in apparent agreement with neutron scattering experiments when the magnetic field is oriented perpendicular to the lattice. The incommensuration increases with increasing field strength. Above the critical field the spins are fully polarized. We have difficulty treating Dzyaloshinskii-Moriya interactions which are believed to be important for in-plane fields.

Non-Markovian continuous-time quantum walks on lattices with dynamical noise

NASA Astrophysics Data System (ADS)

Benedetti, Claudia; Buscemi, Fabrizio; Bordone, Paolo; Paris, Matteo G. A.

2016-04-01

We address the dynamics of continuous-time quantum walks on one-dimensional disordered lattices inducing dynamical noise in the system. Noise is described as time-dependent fluctuations of the tunneling amplitudes between adjacent sites, and attention is focused on non-Gaussian telegraph noise, going beyond the usual assumption of fast Gaussian noise. We observe the emergence of two different dynamical behaviors for the walker, corresponding to two opposite noise regimes: slow noise (i.e., strong coupling with the environment) confines the walker into few lattice nodes, while fast noise (weak coupling) induces a transition between quantum and classical diffusion over the lattice. A phase transition between the two dynamical regimes may be observed by tuning the ratio between the autocorrelation time of the noise and the coupling between the walker and the external environment generating the noise. We also address the non-Markovianity of the quantum map by assessing its memory effects, as well as evaluating the information backflow to the system. Our results suggest that the non-Markovian character of the evolution is linked to the dynamical behavior in the slow noise regime, and that fast noise induces a Markovian dynamics for the walker.

Wavepacket dynamics in a family of nonlinear Fibonacci lattices

NASA Astrophysics Data System (ADS)

Pandey, Mohit; Campbell, David

We examine the dynamics of a quantum particle in a variety of one-dimensional Fibonacci lattices (which are shifted from each other) in the presence of interaction. To describe the nonlinear interactions we employ the discrete nonlinear Schrödinger (DNLS) equation. Using a single-site localized state in the lattice as our initial condition, we evolve the wavepacket numerically using DNLS equation. We compute the root-mean-square width of the wavepacket as it evolves in time and show how the ``global location'' of initial wavepacket affects the dynamics. We compare and contrast our results with earlier studies of related but distinct models.

Thermal diffusivity and butterfly velocity in anisotropic Q-lattice models

NASA Astrophysics Data System (ADS)

Jeong, Hyun-Sik; Ahn, Yongjun; Ahn, Dujin; Niu, Chao; Li, Wei-Jia; Kim, Keun-Young

2018-01-01

We study a relation between the thermal diffusivity ( D T ) and two quantum chaotic properties, Lyapunov time (τ L ) and butterfly velocity ( v B ) in strongly correlated systems by using a holographic method. Recently, it was shown that E_i:={D}_{T,i}/({v}{^{B,i}}^2{τ}_L)(i=x,y) is universal in the sense that it is determined only by some scaling exponents of the IR metric in the low temperature limit regardless of the matter fields and ultraviolet data. Inspired by this observation, by analyzing the anisotropic IR scaling geometry carefully, we find the concrete expressions for E_i in terms of the critical dynamical exponents z i in each direction, E_i={z}_i/2({z}_i-1) . Furthermore, we find the lower bound of E_i is always 1 /2, which is not affected by anisotropy, contrary to the η/s case. However, there may be an upper bound determined by given fixed anisotropy.

Multiscale simulations of anisotropic particles combining molecular dynamics and Green's function reaction dynamics

NASA Astrophysics Data System (ADS)

Vijaykumar, Adithya; Ouldridge, Thomas E.; ten Wolde, Pieter Rein; Bolhuis, Peter G.

2017-03-01

The modeling of complex reaction-diffusion processes in, for instance, cellular biochemical networks or self-assembling soft matter can be tremendously sped up by employing a multiscale algorithm which combines the mesoscopic Green's Function Reaction Dynamics (GFRD) method with explicit stochastic Brownian, Langevin, or deterministic molecular dynamics to treat reactants at the microscopic scale [A. Vijaykumar, P. G. Bolhuis, and P. R. ten Wolde, J. Chem. Phys. 143, 214102 (2015)]. Here we extend this multiscale MD-GFRD approach to include the orientational dynamics that is crucial to describe the anisotropic interactions often prevalent in biomolecular systems. We present the novel algorithm focusing on Brownian dynamics only, although the methodology is generic. We illustrate the novel algorithm using a simple patchy particle model. After validation of the algorithm, we discuss its performance. The rotational Brownian dynamics MD-GFRD multiscale method will open up the possibility for large scale simulations of protein signalling networks.

Anisotropic toughness and strength in graphene and its atomistic origin

NASA Astrophysics Data System (ADS)

Hossain, M. Zubaer; Ahmed, Tousif; Silverman, Benjamin; Khawaja, M. Shehroz; Calderon, Justice; Rutten, Andrew; Tse, Stanley

2018-01-01

This paper presents the implication of crystallographic orientation on toughness and ideal strength in graphene under lattice symmetry-preserving and symmetry-breaking deformations. In symmetry-preserving deformation, both toughness and strength are isotropic, regardless of the chirality of the lattice; whereas, in symmetry-breaking deformation they are strongly anisotropic, even in the presence of vacancy defects. The maximum and minimum of toughness or strength occur for loading along the zigzag direction and the armchair direction, respectively. The anisotropic behavior is governed by a complex interplay among bond-stretching deformation, bond-bending deformation, and the chirality of the lattice. Nevertheless, the condition for crack-nucleation is dictated by the maximum bond-force required for bond rupture, and it is independent of the chiral angle of the lattice or loading direction. At the onset of crack-nucleation a localized nucleation zone is formed, wherein the bonds rupture locally satisfying the maximum bond-force criterion. The nucleation zone acts as the physical origin in triggering the fracture nucleation process, but its presence is undetectable from the macroscopic stress-strain data.

Probing the dynamic response of ordered lattice materials

NASA Astrophysics Data System (ADS)

Lind, J.; Jensen, B. J.; Barham, M.; Barton, N. R.; Kumar, M.

2017-06-01

The advent of additive manufacturing has opened up the possibility of designing and creating lattice structures that were previously not possible. Their remarkable strength-to-weight scaling has garnered immense interest from the research community, but one must ask if their strength, which depends uniquely on their geometric and topological character, still holds when they are deformed dynamically? Taking advantage of the newly commissioned Dynamic Compression Sector at the Advanced Photon Source at Argonne National Laboratory, we performed a series of gas gun experiments combined with x-ray phase contrast imaging measurement on additively manufactured polymer lattice and foam structures. With on the order of micron resolution and 100s of ns temporal resolution, the local deformation characteristics of the material can be extracted by tracking the nodal displacements within the lattice material. Properties such as local ligament strain, maximum supported strain, compaction behavior and elastic wave evolution can be extracted from this measurement. We will discuss on-going comparison of the experimental results with direct numerical simulations. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Thermal lattice BGK models for fluid dynamics

NASA Astrophysics Data System (ADS)

Huang, Jian

1998-11-01

As an alternative in modeling fluid dynamics, the Lattice Boltzmann method has attracted considerable attention. In this thesis, we shall present a general form of thermal Lattice BGK. This form can handle large differences in density, temperature, and high Mach number. This generalized method can easily model gases with different adiabatic index values. The numerical transport coefficients of this model are estimated both theoretically and numerically. Their dependency on the sizes of integration steps in time and space, and on the flow velocity and temperature, are studied and compared with other established CFD methods. This study shows that the numerical viscosity of the Lattice Boltzmann method depends linearly on the space interval, and on the flow velocity as well for supersonic flow. This indicates this method's limitation in modeling high Reynolds number compressible thermal flow. On the other hand, the Lattice Boltzmann method shows promise in modeling micro-flows, i.e., gas flows in micron-sized devices. A two-dimensional code has been developed based on the conventional thermal lattice BGK model, with some modifications and extensions for micro- flows and wall-fluid interactions. Pressure-driven micro- channel flow has been simulated. Results are compared with experiments and simulations using other methods, such as a spectral element code using slip boundary condition with Navier-Stokes equations and a Direct Simulation Monte Carlo (DSMC) method.

Lattice gas simulations of dynamical geometry in one dimension.

PubMed

Love, Peter J; Boghosian, Bruce M; Meyer, David A

2004-08-15

We present numerical results obtained using a lattice gas model with dynamical geometry. The (irreversible) macroscopic behaviour of the geometry (size) of the lattice is discussed in terms of a simple scaling theory and obtained numerically. The emergence of irreversible behaviour from the reversible microscopic lattice gas rules is discussed in terms of the constraint that the macroscopic evolution be reproducible. The average size of the lattice exhibits power-law growth with exponent at late times. The deviation of the macroscopic behaviour from reproducibility for particular initial conditions ('rogue states') is investigated as a function of system size. The number of such 'rogue states' is observed to decrease with increasing system size. Two mean-field analyses of the macroscopic behaviour are also presented. Copyright 2004 The Royal Society

Direct characterization of photoinduced lattice dynamics in BaFe2As2

PubMed Central

Gerber, S.; Kim, K. W.; Zhang, Y.; Zhu, D.; Plonka, N.; Yi, M.; Dakovski, G. L.; Leuenberger, D.; Kirchmann, P.S.; Moore, R. G.; Chollet, M.; Glownia, J. M.; Feng, Y.; Lee, J.-S.; Mehta, A.; Kemper, A. F.; Wolf, T.; Chuang, Y.-D.; Hussain, Z.; Kao, C.-C.; Moritz, B.; Shen, Z.-X.; Devereaux, T. P.; Lee, W.-S.

2015-01-01

Ultrafast light pulses can modify electronic properties of quantum materials by perturbing the underlying, intertwined degrees of freedom. In particular, iron-based superconductors exhibit a strong coupling among electronic nematic fluctuations, spins and the lattice, serving as a playground for ultrafast manipulation. Here we use time-resolved X-ray scattering to measure the lattice dynamics of photoexcited BaFe2As2. On optical excitation, no signature of an ultrafast change of the crystal symmetry is observed, but the lattice oscillates rapidly in time due to the coherent excitation of an A1g mode that modulates the Fe–As–Fe bond angle. We directly quantify the coherent lattice dynamics and show that even a small photoinduced lattice distortion can induce notable changes in the electronic and magnetic properties. Our analysis implies that transient structural modification can be an effective tool for manipulating the electronic properties of multi-orbital systems, where electronic instabilities are sensitive to the orbital character of bands. PMID:26051704

Lattice gas simulations of dynamical geometry in two dimensions.

PubMed

Klales, Anna; Cianci, Donato; Needell, Zachary; Meyer, David A; Love, Peter J

2010-10-01

We present a hydrodynamic lattice gas model for two-dimensional flows on curved surfaces with dynamical geometry. This model is an extension to two dimensions of the dynamical geometry lattice gas model previously studied in one dimension. We expand upon a variation of the two-dimensional flat space Frisch-Hasslacher-Pomeau (FHP) model created by Frisch [Phys. Rev. Lett. 56, 1505 (1986)] and independently by Wolfram, and modified by Boghosian [Philos. Trans. R. Soc. London, Ser. A 360, 333 (2002)]. We define a hydrodynamic lattice gas model on an arbitrary triangulation whose flat space limit is the FHP model. Rules that change the geometry are constructed using the Pachner moves, which alter the triangulation but not the topology. We present results on the growth of the number of triangles as a function of time. Simulations show that the number of triangles grows with time as t(1/3), in agreement with a mean-field prediction. We also present preliminary results on the distribution of curvature for a typical triangulation in these simulations.

Flow and dispersion in anisotropic porous media: A lattice-Boltzmann study

NASA Astrophysics Data System (ADS)

Maggiolo, D.; Picano, F.; Guarnieri, M.

2016-10-01

Given their capability of spreading active chemical species and collecting electricity, porous media made of carbon fibers are extensively used as diffusion layers in energy storage systems, such as redox flow batteries. In spite of this, the dispersion dynamics of species inside porous media is still not well understood and often lends itself to different interpretations. Actually, the microscopic design of efficient porous media, which can potentially and effectively improve the performances of flow batteries, is still an open challenge. The present study aims to investigate the effect of fibrous media micro-structure on dispersion, in particular the effect of fiber orientation on drag and dispersion dynamics. Several lattice-Boltzmann simulations of flows through differently oriented fibrous media coupled with Lagrangian simulations of particle tracers have been performed. Results show that orienting fibers preferentially along the streamwise direction minimizes the drag and maximizes the dispersion, which is the most desirable condition for diffusion layers in flow batteries' applications.

Relativistic anisotropic hydrodynamics

NASA Astrophysics Data System (ADS)

Alqahtani, Mubarak; Nopoush, Mohammad; Strickland, Michael

2018-07-01

In this paper we review recent progress in relativistic anisotropic hydrodynamics. We begin with a pedagogical introduction to the topic which takes into account the advances in our understanding of this topic since its inception. We consider both conformal and non-conformal systems and demonstrate how one can implement a realistic equation of state using a quasiparticle approach. We then consider the inclusion of non-spheroidal (non-ellipsoidal) corrections to leading-order anisotropic hydrodynamics and present the findings of the resulting second-order viscous anisotropic hydrodynamics framework. We compare the results obtained in both the conformal and non-conformal cases with exact solutions to the Boltzmann equation and demonstrate that, in all known cases, anisotropic hydrodynamics best reproduces the exact solutions. Based on this success, we then discuss the phenomenological application of anisotropic hydrodynamics. Along these lines, we review techniques which can be used to convert a momentum-space anisotropic fluid into hadronic degrees of freedom by generalizing the original idea of Cooper-Frye freeze-out to momentum-space anisotropic systems. And, finally, we present phenomenological results of 3 + 1 d quasiparticle anisotropic hydrodynamic simulations and compare them to experimental data produced in 2.76 TeV Pb-Pb collisions at the LHC. Our results indicate that anisotropic hydrodynamics provides a promising framework for describing the dynamics of the momentum-space anisotropic QGP created in heavy-ion collisions.

Closing the equations of motion of anisotropic fluid dynamics by a judicious choice of a moment of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Molnár, E.; Niemi, H.; Rischke, D. H.

2016-12-01

In Molnár et al. Phys. Rev. D 93, 114025 (2016) the equations of anisotropic dissipative fluid dynamics were obtained from the moments of the Boltzmann equation based on an expansion around an arbitrary anisotropic single-particle distribution function. In this paper we make a particular choice for this distribution function and consider the boost-invariant expansion of a fluid in one dimension. In order to close the conservation equations, we need to choose an additional moment of the Boltzmann equation. We discuss the influence of the choice of this moment on the time evolution of fluid-dynamical variables and identify the moment that provides the best match of anisotropic fluid dynamics to the solution of the Boltzmann equation in the relaxation-time approximation.

Femtosecond visualization of lattice dynamics in shock-compressed matter.

PubMed

Milathianaki, D; Boutet, S; Williams, G J; Higginbotham, A; Ratner, D; Gleason, A E; Messerschmidt, M; Seibert, M M; Swift, D C; Hering, P; Robinson, J; White, W E; Wark, J S

2013-10-11

The ultrafast evolution of microstructure is key to understanding high-pressure and strain-rate phenomena. However, the visualization of lattice dynamics at scales commensurate with those of atomistic simulations has been challenging. Here, we report femtosecond x-ray diffraction measurements unveiling the response of copper to laser shock-compression at peak normal elastic stresses of ~73 gigapascals (GPa) and strain rates of 10(9) per second. We capture the evolution of the lattice from a one-dimensional (1D) elastic to a 3D plastically relaxed state within a few tens of picoseconds, after reaching shear stresses of 18 GPa. Our in situ high-precision measurement of material strength at spatial (<1 micrometer) and temporal (<50 picoseconds) scales provides a direct comparison with multimillion-atom molecular dynamics simulations.

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

NASA Astrophysics Data System (ADS)

Ohta, Shigemi

2006-12-01

We report RBC and RBC/UKQCD lattice QCD numerical calculations of nucleon electroweak matrix elements with dynamical domain-wall fermions (DWF) quarks. The first, RBC, set of dynamical DWF ensembles employs two degenerate flavors of DWF quarks and the DBW2 gauge action. Three sea quark mass values of 0.04, 0.03 and 0.02 in lattice units are used with about 200 gauge configurations each. The lattice cutoff is a-1 ˜ 1.7GeV and the spatial volume is about (1.9fm)3 . Despite the small volume, the ratio of the isovector vector and axial charges gA /gV and that of structure function moments x u-d / x u- d are in agreement with experiment, and show only very mild quark mass dependence. The second, RBC/UK, set of ensembles employs one strange and two degenerate (up and down) dynamical DWF quarks and Iwasaki gauge action. The strange quark mass is set at 0.04, and three up/down mass values of 0.03, 0.02 and 0.01 in lattice units are used. The lattice cutoff is a-1 ˜ 1.6GeV and the spatial volume is about (3.0fm)3 . Even with preliminary statistics of 25-30 gauge configurations, the ratios gA /gV and x u-d / x u- d are consistent with experiment and show only very mild quark mass dependence. Another structure function moment, d1 , though yet to be renormalized, appears small in both sets.

The Control of Anisotropic Transport in Manganites by Stripy Domains

NASA Astrophysics Data System (ADS)

Ju, Changcheng; Lu, Xiaomei; Chu, Yinghao

2014-03-01

Epitaxial thin film acts as a significant tool to investigate novel phenomena of complex oxide systems. Extrinsic constraint1 of uniform or certain designed buffer layer strain could be easily implanted to these materials. However, the strain distribution might be quite complicated by involving micro- or nano-lattice distortions which could partially relax the strain and determine the complex phase diagrams of thin film, meanwhile introducing structural and physical inhomogeneities. In this work , we report 71° striped ferroelectric domains created in BFO can also epitaxially lock the perovskite manganites leading to the emerge of ordered structural domain. LSMO/BFO hetero-epitaxial samples are deposited by PLD. The 71° periodic striped domains and coherent growth are demonstrated by PFM and X-ray analysis. Plan-view TEM and X-ray RSM have been used to confirm the epitaxial relationships of the functional layers and IP lattice constant. Both the simulation and structural analysis demonstrate we can create a periodic ordered stripe structural domain in LSMO. And this will leave an anisotropic distribution of structural domain walls which makes it possible to capture the anisotropic tunneling for strong electron-lattice coupling in manganites. Temperature-dependent resistivity measurements reveal a substantial anisotropic resistivities and a remarkable shift of the MI transition between the perpendicular and parallel to the stripe domain directions.

Coupled polaritonic band gaps in the anisotropic piezoelectric superlattices

NASA Astrophysics Data System (ADS)

Tang, Zheng-Hua; Jiang, Zheng-Sheng; Chen, Tao; Jiang, Chun-Zhi; Lei, Da-Jun; Huang, Jian-Quan; Qiu, Feng; Yao, Min; Huang, Xiao-Yi

2018-01-01

Anisotropic piezoelectric superlattices (APSs) with the periodic arrangement of polarized anisotropic piezoelectric domains in a certain direction are presented, in which the coupled polaritonic band gaps (CPBGs) can be obtained in the whole Brillouin Zone and the maximum relative bandwidth (band-gap sizes divided by their midgap frequencies) of 5.1% can be achieved. The general characteristics of the APSs are similar to those of the phononic crystals composed of two types of materials, with the main difference being the formation mechanism of the CPBGs, which originate from the couplings between lattice vibrations along two different directions and electromagnetic waves rather than from the periodical modulation of density and elastic constants. In addition, there are no lattice mismatches because the APSs are made of the same material. Thus, the APSs can also be extended to the construction of novel acousto-optic devices.

Modeling of DNA-Mediated Self-Assembly from Anisotropic Nanoparticles: A Molecular Dynamics Study

NASA Astrophysics Data System (ADS)

Millan, Jaime; Girard, Martin; Brodin, Jeffrey; O'Brien, Matt; Mirkin, Chad; Olvera de La Cruz, Monica

The programmable selectivity of DNA recognition constitutes an elegant scheme to self-assemble a rich variety of superlattices from versatile nanoscale building blocks, where the natural interactions between building blocks are traded by complementary DNA hybridization interactions. Recently, we introduced and validated a scale-accurate coarse-grained model for a molecular dynamics approach that captures the dynamic nature of DNA hybridization events and reproduces the experimentally-observed crystallization behavior of various mixtures of spherical DNA-modified nanoparticles. Here, we have extended this model to robustly reproduce the assembly of nanoparticles with the anisotropic shapes observed experimentally. In particular, we are interested in two different particle types: (i) regular shapes, namely the cubic and octahedral polyhedra shapes commonly observed in gold nanoparticles, and (ii) irregular shapes akin to those exhibited by enzymes. Anisotropy in shape can provide an analog to the atomic orbitals exhibited by conventional atomic crystals. We present results for the assembly of enzymes or anisotropic nanoparticles and the co-assembly of enzymes and nanoparticles.

Lattice dynamics and thermoelectric properties of nanocrystalline silicon-germanium alloys

DOE PAGES

Claudio, Tania; Stein, Niklas; Peterman, Nils; ...

2015-10-26

The lattice dynamics and thermoelectric properties of sintered phosphorus-doped nanostructured silicon- germanium alloys obtained by gas-phase synthesis were studied. Measurements of the density of phonon states by inelastic neutron scattering were combined with measurements of the elastic constants and the low- temperature heat capacity. A strong influence of nanostructuring and alloying on the lattice dynamics was observed. The thermoelectric transport properties of samples with different doping as well as samples sintered at different temperature were characterized between room temperature and 1000C. A peak figure of merit zT = 0:88 at 900C is observed and comparatively insensitive to the aforementioned param-more » eter variations.« less

Superalloy Lattice Block Structures

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.; Nathal, M. V.; Hebsur, M. G.; Kraus, D. L.

2003-01-01

In their simplest form, lattice block panels are produced by direct casting and result in lightweight, fully triangulated truss-like configurations which provide strength and stiffness [2]. The earliest realizations of lattice block were made from A1 and steels, primarily under funding from the US Navy [3]. This work also showed that the mechanical efficiency (eg., specific stiffness) of lattice block structures approached that of honeycomb structures [2]. The lattice architectures are also less anisotropic, and the investment casting route should provide a large advantage in cost and temperature capability over honeycombs which are limited to alloys that can be processed into foils. Based on this early work, a program was initiated to determine the feasibility of extending the high temperature superalloy lattice block [3]. The objective of this effort was to provide an alternative to intermetallics and composites in achieving a lightweight high temperature structure without sacrificing the damage tolerance and moderate cost inherent in superalloys. To establish the feasibility of the superalloy lattice block concept, work was performed in conjunction with JAMCORP, Inc. Billerica, MA, to produce a number of lattice block panels from both IN71 8 and Mar-M247.

Direct characterization of photoinduced lattice dynamics in BaFe 2As 2

DOE PAGES

Gerber, S.; Kim, K. W.; Zhang, Y.; ...

2015-06-08

Ultrafast light pulses can modify electronic properties of quantum materials by perturbing the underlying, intertwined degrees of freedom. In particular, iron-based superconductors exhibit a strong coupling among electronic nematic fluctuations, spins and the lattice, serving as a playground for ultrafast manipulation. Here we use time-resolved X-ray scattering to measure the lattice dynamics of photoexcited BaFe 2As 2. On optical excitation, no signature of an ultrafast change of the crystal symmetry is observed, but the lattice oscillates rapidly in time due to the coherent excitation of an A1g mode that modulates the Fe–As–Fe bond angle. We directly quantify the coherent latticemore » dynamics and show that even a small photoinduced lattice distortion can induce notable changes in the electronic and magnetic properties. Our analysis implies that transient structural modification can be an effective tool for manipulating the electronic properties of multi-orbital systems, where electronic instabilities are sensitive to the orbital character of bands.« less

A non-asymptotic model of dynamics of honeycomb lattice-type plates

NASA Astrophysics Data System (ADS)

Cielecka, Iwona; Jędrysiak, Jarosław

2006-09-01

Lightweight structures, consisted of special composite material systems like sandwich plates, are often used in aerospace or naval engineering. In composite sandwich plates, the intermediate core is usually made of cellular structures, e.g. honeycomb micro-frames, reinforcing static and dynamic properties of these plates. Here, a new non-asymptotic continuum model of honeycomb lattice-type plates is shown and applied to the analysis of dynamic problems. The general formulation of the model for periodic lattice-type plates of an arbitrary lay-out was presented by Cielecka and Jędrysiak [Journal of Theoretical and Applied Mechanics 40 (2002) 23-46]. This model, partly based on the tolerance averaging method developed for periodic composite solids by Woźniak and Wierzbicki [Averaging techniques in thermomechanics of composite solids, Wydawnictwo Politechniki Częstochowskiej, Częstochowa, 2000], takes into account the effect of the length microstructure size on the dynamic plate behaviour. The shown method leads to the model equations describing the above effect for honeycomb lattice-type plates. These equations have the form similar to equations for isotropic cases. The dynamic analysis of such plates exemplifies this effect, which is significant and cannot be neglected. The physical correctness of the obtained results is also discussed.

Quantum transport in Dirac materials: Signatures of tilted and anisotropic Dirac and Weyl cones

NASA Astrophysics Data System (ADS)

Trescher, Maximilian; Sbierski, Björn; Brouwer, Piet W.; Bergholtz, Emil J.

2015-03-01

We calculate conductance and noise for quantum transport at the nodal point for arbitrarily tilted and anisotropic Dirac or Weyl cones. Tilted and anisotropic dispersions are generic in the absence of certain discrete symmetries, such as particle-hole and lattice point group symmetries. Whereas anisotropy affects the conductance g , but leaves the Fano factor F (the ratio of shot noise power and current) unchanged, a tilt affects both g and F . Since F is a universal number in many other situations, this finding is remarkable. We apply our general considerations to specific lattice models of strained graphene and a pyrochlore Weyl semimetal.

Dark soliton interaction of spinor Bose-Einstein condensates in an optical lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Zaidong; Li Qiuyan

2007-08-15

We study the magnetic soliton dynamics of spinor Bose-Einstein condensates in an optical lattice which results in an effective Hamiltonian of anisotropic pseudospin chain. An equation of nonlinear Schroedinger type is derived and exact magnetic soliton solutions are obtained analytically by means of Hirota method. Our results show that the critical external field is needed for creating the magnetic soliton in spinor Bose-Einstein condensates. The soliton size, velocity and shape frequency can be controlled in practical experiment by adjusting the magnetic field. Moreover, the elastic collision of two solitons is investigated in detail.

Phase diagrams for sticky rods in bulk and in a monolayer from a lattice free-energy functional for anisotropic particles with depletion attractions

NASA Astrophysics Data System (ADS)

Mortazavifar, M.; Oettel, M.

2017-09-01

A density functional of fundamental measure type for a lattice model of anisotropic particles with hard-core repulsions and effective attractions is derived in the spirit of the Asakura-Oosawa model. Through polymeric lattice particles of various size and shape, effective attractions of different strength and range between the colloids can be generated. The functional is applied to the determination of phase diagrams for sticky rods of length L in two dimensions, in three dimensions, and in a monolayer system on a neutral substrate. In all cases, there is a competition between ordering and gas-liquid transitions. In two dimensions, this gives rise to a tricritical point, whereas in three dimensions, the isotropic-nematic transition crosses over smoothly to a gas-nematic liquid transition. The richest phase behavior is found for the monolayer system. For L =2 , two stable critical points are found corresponding to a standard gas-liquid transition and a nematic liquid-liquid transition. For L =3 , the gas-liquid transition becomes metastable.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

LIN H.-W.; OHTA, S.

2006-10-02

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

One-dimensional magnetic fluctuations in the spin-2 triangular lattice alpha-NaMnO2.

PubMed

Stock, C; Chapon, L C; Adamopoulos, O; Lappas, A; Giot, M; Taylor, J W; Green, M A; Brown, C M; Radaelli, P G

2009-08-14

The S=2 anisotropic triangular lattice alpha-NaMnO2 is studied by neutron inelastic scattering. Antiferromagnetic order occurs at T< or =45 K with opening of a spin gap. The spectral weight of the magnetic dynamics above the gap (Delta approximately equal to 7.5 meV) has been analyzed by the single-mode approximation. Excellent agreement with the experiment is achieved when a dominant exchange interaction (|J|/k(B) approximately 73 K), along the monoclinic b axis and a sizable easy-axis magnetic anisotropy (|D|/k(B) approximately 3 K) are considered. Despite earlier suggestions for two-dimensional spin interactions, the dynamics illustrate strongly coupled antiferromagnetic S=2 chains and cancellation of the interchain exchange due to the lattice topology. alpha-NaMnO2 therefore represents a model system where the geometric frustration is resolved through the lowering of the dimensionality of the spin interactions.

Nonequilibrium dynamic phases in driven vortex lattices with periodic pinning

NASA Astrophysics Data System (ADS)

Reichhardt, Charles Michael

1998-12-01

We present the results of an extensive series of simulations of flux-gradient and current driven vortices interacting with either random or periodically arranged pinning sites. First, we consider flux-gradient-driven simulations of superconducting vortices interacting with strong randomly-distributed columnar pinning defects, as an external field H(t) is quasi-statically swept from zero through a matching field Bsb{phi}. Here, we find significant changes in the behavior of the local flux density B(x, y, H(t)), magnetization M(H(t)), critical current Jsb{c}(B(t)), and the individual vortex flow paths, as the local flux density crosses Bsb{phi}. Further, we find that for a given pin density, Jsb{c}(B) can be enhanced by maximizing the distance between the pins for B < Bsb{phi}. For the case of periodic pinning sites as a function of applied field, we find a rich variety of ordered and partially-ordered vortex lattice configurations. We present formulas that predict the matching fields at which commensurate vortex configurations occur and the vortex lattice orientation with respect to the pinning lattice. Our results are in excellent agreement with recent imaging experiments on square pinning arrays (K. Harada et al., Science 274, 1167 (1996)). For current driven simulations with periodic pinning we find a remarkable number of dynamical plastic flow phases. Signatures of the transitions between these different dynamical phases include sudden jumps in the current-voltage curves, hysteresis, as well as marked changes in the vortex trajectories and vortex lattice order. These phases are outlined in a series of dynamic phase diagrams. We show that several of these phases and their phase-boundaries can be understood in terms of analytical arguments. Finally, when the vortex lattice is driven at varying angles with respect to the underlying periodic pinning array, the transverse voltage-current V(I) curves show a series of mode-locked plateaus with the overall V(I) forming

Structural transitions in vortex systems with anisotropic interactions

DOE PAGES

Olszewski, Maciej W.; Eskildsen, M. R.; Reichhardt, Charles; ...

2017-12-29

We introduce a model of vortices in type-II superconductors with a four-fold anisotropy in the vortex–vortex interaction potential. Using numerical simulations we show that the vortex lattice undergoes structural transitions as the anisotropy is increased, with a triangular lattice at low anisotropy, a rhombic intermediate state, and a square lattice for high anisotropy. In some cases we observe a multi-q state consisting of an Archimedean tiling that combines square and triangular local ordering. At very high anisotropy, domains of vortex chain states appear. We discuss how this model can be generalized to higher order anisotropy as well as its applicabilitymore » to other particle-based systems with anisotropic particle–particle interactions.« less

Optimal lattice-structured materials

DOE PAGES

Messner, Mark C.

2016-07-09

This paper describes a method for optimizing the mesostructure of lattice-structured materials. These materials are periodic arrays of slender members resembling efficient, lightweight macroscale structures like bridges and frame buildings. Current additive manufacturing technologies can assemble lattice structures with length scales ranging from nanometers to millimeters. Previous work demonstrates that lattice materials have excellent stiffness- and strength-to-weight scaling, outperforming natural materials. However, there are currently no methods for producing optimal mesostructures that consider the full space of possible 3D lattice topologies. The inverse homogenization approach for optimizing the periodic structure of lattice materials requires a parameterized, homogenized material model describingmore » the response of an arbitrary structure. This work develops such a model, starting with a method for describing the long-wavelength, macroscale deformation of an arbitrary lattice. The work combines the homogenized model with a parameterized description of the total design space to generate a parameterized model. Finally, the work describes an optimization method capable of producing optimal mesostructures. Several examples demonstrate the optimization method. One of these examples produces an elastically isotropic, maximally stiff structure, here called the isotruss, that arguably outperforms the anisotropic octet truss topology.« less

Analysis and interpretation of diffraction data from complex, anisotropic materials

NASA Astrophysics Data System (ADS)

Tutuncu, Goknur

Most materials are elastically anisotropic and exhibit additional anisotropy beyond elastic deformation. For instance, in ferroelectric materials the main inelastic deformation mode is via domains, which are highly anisotropic crystallographic features. To quantify this anisotropy of ferroelectrics, advanced X-ray and neutron diffraction methods were employed. Extensive sets of data were collected from tetragonal BaTiO3, PZT and other ferroelectric ceramics. Data analysis was challenging due to the complex constitutive behavior of these materials. To quantify the elastic strain and texture evolution in ferroelectrics under loading, a number of data analysis techniques such as the single peak and Rietveld methods were used and their advantages and disadvantages compared. It was observed that the single peak analysis fails at low peak intensities especially after domain switching while the Rietveld method does not account for lattice strain anisotropy although it overcomes the low intensity problem via whole pattern analysis. To better account for strain anisotropy the constant stress (Reuss) approximation was employed within the Rietveld method and new formulations to estimate lattice strain were proposed. Along the way, new approaches for handling highly anisotropic lattice strain data were also developed and applied. All of the ceramics studied exhibited significant changes in their crystallographic texture after loading indicating non-180° domain switching. For a full interpretation of domain switching the spherical harmonics method was employed in Rietveld. A procedure for simultaneous refinement of multiple data sets was established for a complete texture analysis. To further interpret diffraction data, a solid mechanics model based on the self-consistent approach was used in calculating lattice strain and texture evolution during the loading of a polycrystalline ferroelectric. The model estimates both the macroscopic average response of a specimen and its hkl

Estimation of chaotic coupled map lattices using symbolic vector dynamics

NASA Astrophysics Data System (ADS)

Wang, Kai; Pei, Wenjiang; Cheung, Yiu-ming; Shen, Yi; He, Zhenya

2010-01-01

In [K. Wang, W.J. Pei, Z.Y. He, Y.M. Cheung, Phys. Lett. A 367 (2007) 316], an original symbolic vector dynamics based method has been proposed for initial condition estimation in additive white Gaussian noisy environment. The estimation precision of this estimation method is determined by symbolic errors of the symbolic vector sequence gotten by symbolizing the received signal. This Letter further develops the symbolic vector dynamical estimation method. We correct symbolic errors with backward vector and the estimated values by using different symbols, and thus the estimation precision can be improved. Both theoretical and experimental results show that this algorithm enables us to recover initial condition of coupled map lattice exactly in both noisy and noise free cases. Therefore, we provide novel analytical techniques for understanding turbulences in coupled map lattice.

Lattice QCD with two dynamical flavors of domain wall fermions

NASA Astrophysics Data System (ADS)

Aoki, Y.; Blum, T.; Christ, N.; Dawson, C.; Hashimoto, K.; Izubuchi, T.; Laiho, J. W.; Levkova, L.; Lin, M.; Mawhinney, R.; Noaki, J.; Ohta, S.; Orginos, K.; Soni, A.

2005-12-01

We present results from the first large-scale study of two-flavor QCD using domain wall fermions (DWF), a chirally symmetric fermion formulation which has been proven to be very effective in the quenched approximation. We work on lattices of size 163×32, with a lattice cutoff of a-1≈1.7GeV and dynamical (or sea) quark masses in the range mstrange/2≲msea≲mstrange. After discussing the algorithmic and implementation issues involved in simulating dynamical DWF, we report on the low-lying hadron spectrum, decay constants, static quark potential, and the important kaon weak matrix element describing indirect CP violation in the standard model, BK. In the latter case we include the effect of nondegenerate quark masses (ms≠mu=md), finding BKM Smacr (2GeV)=0.495(18).

Nonreciprocal acoustics and dynamics in the in-plane oscillations of a geometrically nonlinear lattice.

PubMed

Zhang, Zhen; Koroleva, I; Manevitch, L I; Bergman, L A; Vakakis, A F

2016-09-01

We study the dynamics and acoustics of a nonlinear lattice with fixed boundary conditions composed of a finite number of particles coupled by linear springs, undergoing in-plane oscillations. The source of the strongly nonlinearity of this lattice is geometric effects generated by the in-plane stretching of the coupling linear springs. It has been shown that in the limit of low energy the lattice gives rise to a strongly nonlinear acoustic vacuum, which is a medium with zero speed of sound as defined in classical acoustics. The acoustic vacuum possesses strongly nonlocal coupling effects and an orthogonal set of nonlinear standing waves [or nonlinear normal modes (NNMs)] with mode shapes identical to those of the corresponding linear lattice; in contrast to the linear case, however, all NNMs except the one with the highest wavelength are unstable. In addition, the lattice supports two types of waves, namely, nearly linear sound waves (termed "L waves") corresponding to predominantly axial oscillations of the particles and strongly nonlinear localized propagating pulses (termed "NL pulses") corresponding to predominantly transverse oscillating wave packets of the particles with localized envelopes. We show the existence of nonlinear nonreciprocity phenomena in the dynamics and acoustics of the lattice. Two opposite cases are examined in the limit of low energy. The first gives rise to nonreciprocal dynamics and corresponds to collective, spatially extended transverse loading of the lattice leading to the excitation of individual, predominantly transverse NNMs, whereas the second case gives rise to nonreciprocal acoutics by considering the response of the lattice to spatially localized, transverse impulse or displacement excitations. We demonstrate intense and recurring energy exchanges between a directly excited NNM and other NNMs with higher wave numbers, so that nonreciprocal energy exchanges from small-to-large wave numbers are established. Moreover, we show the

Digital Quantum Simulation of Z2 Lattice Gauge Theories with Dynamical Fermionic Matter

NASA Astrophysics Data System (ADS)

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

2017-02-01

We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2 +1 ) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z2 model in (2 +1 ) dimensions.

Digital Quantum Simulation of Z_{2} Lattice Gauge Theories with Dynamical Fermionic Matter.

PubMed

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J Ignacio

2017-02-17

We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2+1) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z_{2} model in (2+1) dimensions.

Slow dynamics in translation-invariant quantum lattice models

NASA Astrophysics Data System (ADS)

Michailidis, Alexios A.; Žnidarič, Marko; Medvedyeva, Mariya; Abanin, Dmitry A.; Prosen, Tomaž; Papić, Z.

2018-03-01

Many-body quantum systems typically display fast dynamics and ballistic spreading of information. Here we address the open problem of how slow the dynamics can be after a generic breaking of integrability by local interactions. We develop a method based on degenerate perturbation theory that reveals slow dynamical regimes and delocalization processes in general translation invariant models, along with accurate estimates of their delocalization time scales. Our results shed light on the fundamental questions of the robustness of quantum integrable systems and the possibility of many-body localization without disorder. As an example, we construct a large class of one-dimensional lattice models where, despite the absence of asymptotic localization, the transient dynamics is exceptionally slow, i.e., the dynamics is indistinguishable from that of many-body localized systems for the system sizes and time scales accessible in experiments and numerical simulations.

Hemispherical Anisotropic Patterns of the Earth's Inner Core

NASA Astrophysics Data System (ADS)

Mattesini, M.; Belonoshko, A. B.; Buforn, E.; Ramirez, M.; Simak, S. I.; Udias, A.; Mao, H.; Ahuja, R.

2010-12-01

It has been shown that the Earth's inner core has an axisymmetric anisotropic structure with seismic waves travelling ˜3% faster along polar paths than along equatorial directions. However, hemispherical anisotropic patterns of solid Earth's core are rather complex, and the commonly used hexagonal-close-packed (hcp) iron phase might be insufficient to account for seismological observations. We show that the data we collected are in good agreement with the presence of two anisotropically specular east and west core hemispheres. The detected travel-time anomalies can only be disclosed by a lattice preferred orientation of a body-centered-cubic iron aggregate (bcc), having a fraction of their [111] crystal axes parallel to the Earth's rotation axis. This is a compelling evidence for the presence of a body-centered-cubic Fe phase at the top 100 km of the Earth's inner core.

Effects of lattice morphology upon reaction dynamics in matrix-isolated systems

NASA Astrophysics Data System (ADS)

Raff, Lionel M.

1992-11-01

The dynamics of the cis-d2-ethylene+F2 addition reaction and the subsequent reaction dynamics of the products isolated in vapor-deposited Ar matrices at 12 K are investigated using trajectory methods that incorporate nonstatistical sampling to enhance the reaction probabilities. The matrix-isolated cis-d2-ethylene+F2 system is generated using a combination of Monte Carlo, damped trajectory, and volume contraction methods. Transport effects of the bulk are simulated using the velocity reset procedure developed by Riley et al. [J. Chem. Phys. 88, 5934 (1988)]. The potential-energy hypersurface is the same as that employed in our previous investigations of the matrix-isolated, decomposition dynamics of 1,2-difluoroethane-d4 and the bimolecular cis-d2-ethylene+F2 system in face-centered-cubic (fcc) matrices [J. Chem. Phys. 93, 3160 (1990); 95, 8901 (1991)]. It is found that matrices generated by these methods are amorphous with numerous vacancies and other imperfections. On the average, there are approximately three vacancies about each lattice atom compared to the fcc crystal. The calculated lattice density is about 82% that for a bulk fcc Ar solid. Computed radial distribution functions resemble those expected for a liquid which exhibits some short-range order. The imperfections of the lattice remain even after substantial annealing at 50 K. The calculated energy relaxation rate to the lattice phonon modes in these amorphous matrices is about a factor of 4 less than that for a close-packed fcc lattice. The 1,2-difluoroethane product is formed primarily via an αβ-addition process, as is the case for fcc matrices. However, the prominence of this pathway is greatly reduced. The major process leading to a fluoroethylene elimination product in amorphous matrices involves an atomic addition mechanism. Such a reaction path accounts for 94% of the elimination reactions. The probability of internal rotation about the C■C double bond in the fluoroethylene product is

Ultrafast lattice dynamics in lead selenide quantum dot induced by laser excitation

DOE PAGES

Wang, Xuan; Rahmani, Hamidreza; Zhou, Jun; ...

2016-10-10

We directly monitored the lattice dynamics in PbSe quantum dots induced by laser excitation using ultrafast electron di raction. The energy relaxation between the carriers and the lattice took place within 10 ps, showing no evidence of any signi cant phonon bottleneck e ect. Meanwhile, the lattice dilation exhibited some unusual features that could not be explained by the available mechanisms of photon- induced acoustic vibrations in semiconductors alone. The heat transport between the QDs and the substrate deviates signi cantly from Fourier's Law, which opens questions about the heat transfer under nonequilibrium conditions in nanoscale materials.

Ultrafast lattice dynamics in lead selenide quantum dot induced by laser excitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Xuan; Rahmani, Hamidreza; Zhou, Jun

We directly monitored the lattice dynamics in PbSe quantum dots induced by laser excitation using ultrafast electron di raction. The energy relaxation between the carriers and the lattice took place within 10 ps, showing no evidence of any signi cant phonon bottleneck e ect. Meanwhile, the lattice dilation exhibited some unusual features that could not be explained by the available mechanisms of photon- induced acoustic vibrations in semiconductors alone. The heat transport between the QDs and the substrate deviates signi cantly from Fourier's Law, which opens questions about the heat transfer under nonequilibrium conditions in nanoscale materials.

Quantum Phase Transition and Local Entanglement in Extended Hubbard Model on Anisotropic Triangular Lattices

NASA Astrophysics Data System (ADS)

Gao, Ji-Ming; Tang, Rong-An; Zhang, Zheng-Mei; Xue, Ju-Kui

2016-11-01

Using a mean-field theory based upon Hartree—Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition. Supported by National Natural Science Foundation of China under Grant Nos.11274255, 11475027 and 11305132, Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20136203110001, and Technology of Northwest Normal University, China under Grants No. NWNU-LKQN-11-26

Ultrafast lattice dynamics of single crystal and polycrystalline gold nanofilms☆

NASA Astrophysics Data System (ADS)

Hu, Jianbo; Karam, Tony E.; Blake, Geoffrey A.; Zewail, Ahmed H.

2017-09-01

Ultrafast electron diffraction is employed to spatiotemporally visualize the lattice dynamics of 11 nm-thick single-crystal and 2 nm-thick polycrystalline gold nanofilms. Surprisingly, the electron-phonon coupling rates derived from two temperature simulations of the data reveal a faster interaction between electrons and the lattice in the case of the single-crystal sample. We interpret this unexpected behavior as arising from quantum confinement of the electrons in the 2 nm-thick gold nanofilm, as supported by absorption spectra, an effect that counteracts the expected increase in the electron scattering off surfaces and grain boundaries in the polycrystalline materials.

Two-Dimensional Anisotropic Random Walks: Fixed Versus Random Column Configurations for Transport Phenomena

NASA Astrophysics Data System (ADS)

Csáki, Endre; Csörgő, Miklós; Földes, Antónia; Révész, Pál

2018-04-01

We consider random walks on the square lattice of the plane along the lines of Heyde (J Stat Phys 27:721-730, 1982, Stochastic processes, Springer, New York, 1993) and den Hollander (J Stat Phys 75:891-918, 1994), whose studies have in part been inspired by the so-called transport phenomena of statistical physics. Two-dimensional anisotropic random walks with anisotropic density conditions á la Heyde (J Stat Phys 27:721-730, 1982, Stochastic processes, Springer, New York, 1993) yield fixed column configurations and nearest-neighbour random walks in a random environment on the square lattice of the plane as in den Hollander (J Stat Phys 75:891-918, 1994) result in random column configurations. In both cases we conclude simultaneous weak Donsker and strong Strassen type invariance principles in terms of appropriately constructed anisotropic Brownian motions on the plane, with self-contained proofs in both cases. The style of presentation throughout will be that of a semi-expository survey of related results in a historical context.

Two-Dimensional Anisotropic Random Walks: Fixed Versus Random Column Configurations for Transport Phenomena

NASA Astrophysics Data System (ADS)

Csáki, Endre; Csörgő, Miklós; Földes, Antónia; Révész, Pál

2018-06-01

We consider random walks on the square lattice of the plane along the lines of Heyde (J Stat Phys 27:721-730, 1982, Stochastic processes, Springer, New York, 1993) and den Hollander (J Stat Phys 75:891-918, 1994), whose studies have in part been inspired by the so-called transport phenomena of statistical physics. Two-dimensional anisotropic random walks with anisotropic density conditions á la Heyde (J Stat Phys 27:721-730, 1982, Stochastic processes, Springer, New York, 1993) yield fixed column configurations and nearest-neighbour random walks in a random environment on the square lattice of the plane as in den Hollander (J Stat Phys 75:891-918, 1994) result in random column configurations. In both cases we conclude simultaneous weak Donsker and strong Strassen type invariance principles in terms of appropriately constructed anisotropic Brownian motions on the plane, with self-contained proofs in both cases. The style of presentation throughout will be that of a semi-expository survey of related results in a historical context.

Ultrafast structural dynamics of boron nitride nanotubes studied using transmitted electrons.

PubMed

Li, Zhongwen; Sun, Shuaishuai; Li, Zi-An; Zhang, Ming; Cao, Gaolong; Tian, Huanfang; Yang, Huaixin; Li, Jianqi

2017-09-14

We investigate the ultrafast structural dynamics of multi-walled boron nitride nanotubes (BNNTs) upon femtosecond optical excitation using ultrafast electron diffraction in a transmission electron microscope. Analysis of the time-resolved (100) and (002) diffraction profiles reveals highly anisotropic lattice dynamics of BNNTs, which can be attributed to the distinct nature of the chemical bonds in the tubular structure. Moreover, the changes in (002) diffraction positions and intensities suggest that the lattice response of BNNTs to the femtosecond laser excitation involves a fast and a slow lattice dynamic process. The fast process with a time constant of about 8 picoseconds can be understood to be a result of electron-phonon coupling, while the slow process with a time constant of about 100 to 300 picoseconds depending on pump laser fluence is tentatively associated with an Auger recombination effect. In addition, we discuss the power-law relationship of a three-photon absorption process in the BNNT nanoscale system.

Particle statistics and lossy dynamics of ultracold atoms in optical lattices

NASA Astrophysics Data System (ADS)

Yago Malo, J.; van Nieuwenburg, E. P. L.; Fischer, M. H.; Daley, A. J.

2018-05-01

Experimental control over ultracold quantum gases has made it possible to investigate low-dimensional systems of both bosonic and fermionic atoms. In closed one-dimensional systems there are many similarities in the dynamics of local quantities for spinless fermions and strongly interacting "hard-core" bosons, which on a lattice can be formalized via a Jordan-Wigner transformation. In this study, we analyze the similarities and differences for spinless fermions and hard-core bosons on a lattice in the presence of particle loss. The removal of a single fermion causes differences in local quantities compared with the bosonic case because of the different particle exchange symmetry in the two cases. We identify deterministic and probabilistic signatures of these dynamics in terms of local particle density, which could be measured in ongoing experiments with quantum gas microscopes.

Charmonium excited state spectrum in lattice QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jozef Dudek; Robert Edwards; Nilmani Mathur

2008-02-01

Working with a large basis of covariant derivative-based meson interpolating fields we demonstrate the feasibility of reliably extracting multiple excited states using a variational method. The study is performed on quenched anisotropic lattices with clover quarks at the charm mass. We demonstrate how a knowledge of the continuum limit of a lattice interpolating field can give additional spin-assignment information, even at a single lattice spacing, via the overlap factors of interpolating field and state. Excited state masses are systematically high with respect to quark potential model predictions and, where they exist, experimental states. We conclude that this is most likelymore » a result of the quenched approximation.« less

Probing the anisotropic vortex lattice in the Fe-based superconductor KFe2As2 using small angle neutron scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Debeer-Schmitt, Lisa M; Dewhurst, Charles; Kikuchi, Hiroko

Using small angle neutron scattering, the anisotropy of the magnetic vortex lattice (VL), in the heavily hole-doped pnictide superconductor, KFe2As2, was studied. Well-ordered VL scattering patterns were measured with elds applied in directions between B k c and the basal plane, rotating either towards [100] or [110]. Slightly distorted hexagonal patterns were observed when B k c. However, the scattering pattern distorted strongly as the eld was rotated away from the c- axis. At low eld, the arrangement of vortices is strongly aected by the anisotropy of penetration depth in the plane perpendicular to the eld. By tting the distortionmore » with the anisotropic London model, we obtained an estimate of 3:4 for the anisotropy factor, , between the in-plane and c-axis penetration depths at the lowest temperature studied. The results further reveal VL phase transitions as a function of eld direction. We discuss these transitions using the "Hairy Ball" theorem.« less

Magnetic properties of a quasi-two-dimensional S =1/2 Heisenberg antiferromagnet with distorted square lattice

NASA Astrophysics Data System (ADS)

Yamaguchi, Hironori; Tamekuni, Yusuke; Iwasaki, Yoshiki; Otsuka, Rei; Hosokoshi, Yuko; Kida, Takanori; Hagiwara, Masayuki

2017-06-01

We successfully synthesize single crystals of the verdazyl radical α -2 ,3 ,5 -Cl3 -V. Ab initio molecular orbital calculations indicate that the two dominant antiferromagnetic interactions, J1 and J2 (α =J2/J1≃0.56 ), form an S =1 /2 distorted square lattice. We explain the magnetic properties based on the S =1 /2 square lattice Heisenberg antiferromagnet using the quantum Monte Carlo method, and examine the effects of the lattice distortion and the interplane interaction contribution. In the low-temperature regions below 6.4 K, we observe anisotropic magnetic behavior accompanied by a phase transition to a magnetically ordered state. The electron spin resonance signals exhibit anisotropic behavior in the temperature dependence of the resonance field and the linewidth. We explain the frequency dependence of the resonance fields in the ordered phase using a mean-field approximation with out-of-plane easy-axis anisotropy, which causes a spin-flop phase transition at approximately 0.4 T for the field perpendicular to the plane. Furthermore, the anisotropic dipole field provides supporting information regarding the presence of the easy-axis anisotropy. These results demonstrate that the lattice distortion, anisotropy, and interplane interaction of this model are sufficiently small that they do not affect the intrinsic behavior of the S =1 /2 square lattice Heisenberg antiferromagnet.

Single-Particle Quantum Dynamics in a Magnetic Lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Venturini, Marco

2001-02-01

We study the quantum dynamics of a spinless charged-particle propagating through a magnetic lattice in a transport line or storage ring. Starting from the Klein-Gordon equation and by applying the paraxial approximation, we derive a Schroedinger-like equation for the betatron motion. A suitable unitary transformation reduces the problem to that of a simple harmonic oscillator. As a result we are able to find an explicit expression for the particle wavefunction.

Lattice dynamics in elemental modulated Sb 2 Te 3 films: Lattice dynamics in elemental modulated Sb 2 Te 3 films

DOE PAGES

Bessas, D.; Winkler, M.; Sergueev, I.; ...

2015-09-03

We investigate the crystallinity and the lattice dynamics in elemental modulated Sbinline imageTeinline image films microscopically using high energy synchrotron radiation diffraction combined with inline imageSb nuclear inelastic scattering. The correlation length is found to be finite but less than 100 . Moreover, the element specific density of phonon states is extracted. A comparison with the element specific density of phonon states in bulk Sbinline imageTeinline image confirms that the main features in the density of phonon states arise from the layered structure. The average speed of sound at inline image inline image, is almost the same compared to bulkmore » Sbinline imageTeinline image at inline image, inline image. Similarly, the change in the acoustic cut-off energy is within the experimental detection limit. Therefore, we suggest that the lattice thermal conductivity in elemental modulated Sbinline imageTeinline image films should not be significantly changed from its bulk value.« less

Modified spin-wave theory with ordering vector optimization: spatially anisotropic triangular lattice and J1J2J3 model with Heisenberg interactions

NASA Astrophysics Data System (ADS)

Hauke, Philipp; Roscilde, Tommaso; Murg, Valentin; Cirac, J. Ignacio; Schmied, Roman

2011-07-01

We study the ground-state phases of the S=1/2 Heisenberg quantum antiferromagnet on the spatially anisotropic triangular lattice (SATL) and on the square lattice with up to next-next-nearest-neighbor coupling (the J1J2J3 model), making use of Takahashi's modified spin-wave (MSW) theory supplemented by ordering vector optimization. We compare the MSW results with exact diagonalization and projected-entangled-pair-states calculations, demonstrating their qualitative and quantitative reliability. We find that the MSW theory correctly accounts for strong quantum effects on the ordering vector of the magnetic phases of the models under investigation: in particular, collinear magnetic order is promoted at the expense of non-collinear (spiral) order, and several spiral states that are stable at the classical level disappear from the quantum phase diagram. Moreover, collinear states and non-collinear ones are never connected continuously, but they are separated by parameter regions in which the MSW theory breaks down, signaling the possible appearance of a non-magnetic ground state. In the case of the SATL, a large breakdown region appears also for weak couplings between the chains composing the lattice, suggesting the possible occurrence of a large non-magnetic region continuously connected with the spin-liquid state of the uncoupled chains. This shows that the MSW theory is—despite its apparent simplicity—a versatile tool for finding candidate regions in the case of spin-liquid phases, which are among prime targets for relevant quantum simulations.

Thickness-modulated anisotropic ferromagnetism in Fe-doped epitaxial HfO2 thin films

NASA Astrophysics Data System (ADS)

Liu, Wenlong; Liu, Ming; Zhang, Ruyi; Ma, Rong; Wang, Hong

2017-10-01

Epitaxial tetragonal Fe-doped Hf0.95Fe0.05O2 (FHO) thin films with various thicknesses were deposited on (001)-oriented NdCaAlO4 (NCAO) substrates by using a pulsed laser deposition (PLD) system. The crystal structure and epitaxial nature of the FHO thin films were confirmed by typical x-ray diffraction (XRD) θ-2θ scan and reciprocal space mapping (RSM). The results indicate that two sets of lattice sites exist with two different crystal orientations [(001) and (100)] in the thicker FHO thin films. Further, the intensity of the (100) direction increases with the increase in thicknesses, which should have a significant effect on the anisotropic magnetization of the FHO thin films. Meanwhile, all the FHO thin films possess a tetragonal phase structure. An anisotropy behavior in magnetization has been observed in the FHO thin films. The anisotropic magnetization of the FHO thin films is slowly weakened as the thickness increases. Meanwhile, the saturation magnetization (Ms) of both in-plane and out-of-plane decreases with the increase in the thickness. The change in the anisotropic magnetization and Ms is attributed to the crystal lattice and the variation in the valence of Fe ions. These results indicate that the thickness-modulated anisotropic ferromagnetism of the tetragonal FHO epitaxial thin films is of potential use for the integration of metal-oxide semiconductors with spintronics.

Charmed tetraquarks Tcc and Tcs from dynamical lattice QCD simulations

NASA Astrophysics Data System (ADS)

Ikeda, Yoichi; Charron, Bruno; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

2014-02-01

Charmed tetraquarks Tcc=(ccubardbar) and Tcs=(csubardbar) are studied through the S-wave meson-meson interactions, D-D, Kbar-D, D-D* and Kbar-D*, on the basis of the (2+1)-flavor lattice QCD simulations with the pion mass mπ≃410, 570 and 700 MeV. For the charm quark, the relativistic heavy quark action is employed to treat its dynamics on the lattice. Using the HAL QCD method, we extract the S-wave potentials in lattice QCD simulations, from which the meson-meson scattering phase shifts are calculated. The phase shifts in the isospin triplet (I=1) channels indicate repulsive interactions, while those in the I=0 channels suggest attraction, growing as mπ decreases. This is particularly prominent in the Tcc (JP=1+,I=0) channel, though neither bound state nor resonance are found in the range mπ=410-700 MeV. We make a qualitative comparison of our results with the phenomenological diquark picture.

Fast Fourier transform discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Graham, J. T.; Rollett, A. D.; LeSar, R.

2016-12-01

Discrete dislocation dynamics simulations have been generally limited to modeling systems described by isotropic elasticity. Effects of anisotropy on dislocation interactions, which can be quite large, have generally been ignored because of the computational expense involved when including anisotropic elasticity. We present a different formalism of dislocation dynamics in which the dislocations are represented by the deformation tensor, which is a direct measure of the slip in the lattice caused by the dislocations and can be considered as an eigenstrain. The stresses arising from the dislocations are calculated with a fast Fourier transform (FFT) method, from which the forces are determined and the equations of motion are solved. Use of the FFTs means that the stress field is only available at the grid points, which requires some adjustments/regularizations to be made to the representation of the dislocations and the calculation of the force on individual segments, as is discussed hereinafter. A notable advantage of this approach is that there is no computational penalty for including anisotropic elasticity. We review the method and apply it in a simple dislocation dynamics calculation.

Dynamics of anisotropic particles under waves

NASA Astrophysics Data System (ADS)

Dibenedetto, Michelle; Ouellette, Nicholas; Koseff, Jeffrey

2017-11-01

We present results on anisotropic particles in wavy flows in order to gain insight into the transport and mixing of microplastic particles in the near-shore environment. From theory and numerical simulations, we find that the rate of alignment of the particles is not constant and depends strongly on their initial orientation; thus, variations in initial particle orientation result in dispersion of anisotropic-particle plumes. We find that this dispersion is a function of the particle's eccentricity and the ratio of the settling and wave time scales. Experiments in which non-spherical particles of various shapes are released under surface gravity waves were also performed. Our main goal is to explore the effects of particle shape under various wave scenarios. We vary the aspect ratio of the particle in our experiments while holding other variables constant. Our results demonstrate that particle shape can be important when predicting transport.

Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory

ERIC Educational Resources Information Center

Fuson, Michael M.

2017-01-01

Laboratories studying the anisotropic rotational diffusion of bromobenzene using nuclear spin relaxation and molecular dynamics simulations are described. For many undergraduates, visualizing molecular motion is challenging. Undergraduates rarely encounter laboratories that directly assess molecular motion, and so the concept remains an…

Conceptualization and calibration of anisotropic, dynamic alluvial systems: Pitfalls and biases in current modelling practices

NASA Astrophysics Data System (ADS)

Gianni, Guillaume; Doherty, John; Perrochet, Pierre; Brunner, Philip

2017-04-01

Physical properties of alluvial environments are typically featuring a high degree of anisotropy and are characterized by dynamic interactions between the surface and the subsurface. A literature review on current modelling practice shows that hydrogeological models are often calibrated using isotropic hydraulic conductivity fields and steady state conditions. We aim at understanding how these simplifications affect the predictions of hydraulic heads and exchange fluxes using fully coupled, physically based synthetic models and advanced calibration approaches. Specifically, we present an analysis of the information content provided by averaged, steady state hydraulic data compared to transient data with respect to the determination of aquifer hydraulic properties. We show that the information content in average hydraulic heads is insufficient to inform anisotropic properties of alluvial aquifers and can lead to important biases on the calibrated parameters. We further explore the consequences of these biases on predictions of fluxes and water table dynamics. The results of this synthetic analysis are considered in the calibration of a highly dynamic and anisotropic alluvial aquifer system in Switzerland (the Rhône River). The results of the synthetic and real-world modelling and calibration exercises provide insight on future data acquisition, modelling and calibration strategies for these environments.

RVB signatures in the spin dynamics of the square-lattice Heisenberg antiferromagnet

NASA Astrophysics Data System (ADS)

Ghioldi, E. A.; Gonzalez, M. G.; Manuel, L. O.; Trumper, A. E.

2016-03-01

We investigate the spin dynamics of the square-lattice spin-\\frac{1}{2} Heisenberg antiferromagnet by means of an improved mean-field Schwinger boson calculation. By identifying both, the long-range Néel and the RVB-like components of the ground state, we propose an educated guess for the mean-field magnetic excitation consisting on a linear combination of local and bond spin flips to compute the dynamical structure factor. Our main result is that when this magnetic excitation is optimized in such a way that the corresponding sum rule is fulfilled, we recover the low- and high-energy spectral weight features of the experimental spectrum. In particular, the anomalous spectral weight depletion at (π,0) found in recent inelastic neutron scattering experiments can be attributed to the interference of the triplet bond excitations of the RVB component of the ground state. We conclude that the Schwinger boson theory seems to be a good candidate to adequately interpret the dynamic properties of the square-lattice Heisenberg antiferromagnet.

Finite-temperature lattice dynamics and superionic transition in ceria from first principles

NASA Astrophysics Data System (ADS)

Klarbring, Johan; Skorodumova, Natalia V.; Simak, Sergei I.

2018-03-01

Ab initio molecular dynamics (AIMD) in combination with the temperature dependent effective potential (TDEP) method has been used to go beyond the quasiharmonic approximation and study the lattice dynamics in ceria, CeO2, at finite temperature. The results indicate that the previously proposed connection between the B1 u phonon mode turning imaginary and the transition to the superionic phase in fluorite structured materials is an artifact of the failure of the quasiharmonic approximation in describing the lattice dynamics at elevated temperatures. We instead show that, in the TDEP picture, a phonon mode coupling to the Eu mode prevents the B1 u mode from becoming imaginary. We directly observe the superionic transition at high temperatures in our AIMD simulations and find that it is initiated by the formation of oxygen Frenkel pairs (FP). These FP are found to form in a collective process involving simultaneous motion of two oxygen ions.

Ultrafast observation of lattice dynamics in laser-irradiated gold foils

DOE PAGES

Hartley, N. J.; Ozaki, Norimasa; Matsuoka, T.; ...

2017-02-13

Here, we have observed the lattice expansion before the onset of compression in an optical-laser-driven target, using diffraction of femtosecond X-ray beams generated by the SPring-8 Angstrom Compact Free-electron Laser. The change in diffraction angle provides a direct measure of the lattice spacing, allowing the density to be calculated with a precision of ±1%. From the known equation of state relations, this allows an estimation of the temperature responsible for the expansion as <1000 K. The subsequent ablation-driven compression was observed with a clear rise in density at later times. This demonstrates the feasibility of studying the dynamics of preheatingmore » and shock formation with unprecedented detail.« less

Ultrafast observation of lattice dynamics in laser-irradiated gold foils

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hartley, N. J.; Ozaki, Norimasa; Matsuoka, T.

Here, we have observed the lattice expansion before the onset of compression in an optical-laser-driven target, using diffraction of femtosecond X-ray beams generated by the SPring-8 Angstrom Compact Free-electron Laser. The change in diffraction angle provides a direct measure of the lattice spacing, allowing the density to be calculated with a precision of ±1%. From the known equation of state relations, this allows an estimation of the temperature responsible for the expansion as <1000 K. The subsequent ablation-driven compression was observed with a clear rise in density at later times. This demonstrates the feasibility of studying the dynamics of preheatingmore » and shock formation with unprecedented detail.« less

Limitation of optical properties through porous silicon photonic crystals influenced by porosity and lattice dynamic

NASA Astrophysics Data System (ADS)

Amedome Min-Dianey, Kossi Aniya; Zhang, Hao-Chun; M'Bouana, Noé Landry Privace; Kougblenou, Komi; Xia, Xinlin

2018-01-01

Finite differential time domain (FDTD) tools were applied to simulate the optical properties characteristics' through square and triangular lattices of porous silicon (pSi) photonic crystals (PhCs); which consisted of periodical patterns of circular air holes built into the pSi material. This was used to investigate the influence of porosity and lattice dynamic on the reflection, transmission and absorption characteristics through unit cell pSi PhC in the visible wavelength domain (400 nm - 700 nm). The numerical simulation was achieved using FDTD Lumerical solutions with periodic boundary conditions (PBC) and perfectly matched layers (PML) as the appropriate boundary conditions. The results revealed that the limitation of optical properties is dependent on porosity and the lattice dynamic in pSi PhC. This was presented by the trend; the higher the reflection the higher the porosity and a decrease in porosity led to an increase in absorption in both lattice considerations. It was discovered that attaining optimum properties for triangular lattice will entail considering porosities less than 50% and hole radius r to the lattice constant a ratio (r / a) above 0.3 for the absorption characteristic and below 0.3 for the transmission characteristic. Triangular lattice can be adapted to improve the optical pattern through the PhC. In addition, the optimisation of these properties through pSi PhCs was achieved by controlling porosity and the ratio r / a .

First-principles calculations of lattice dynamics and thermal properties of polar solids

DOE PAGES

Wang, Yi; Shang, Shun -Li; Fang, Huazhi; ...

2016-05-13

Although the theory of lattice dynamics was established six decades ago, its accurate implementation for polar solids using the direct (or supercell, small displacement, frozen phonon) approach within the framework of density-function-theory-based first-principles calculations had been a challenge until recently. It arises from the fact that the vibration-induced polarization breaks the lattice periodicity, whereas periodic boundary conditions are required by typical first-principles calculations, leading to an artificial macroscopic electric field. In conclusion, the article reviews a mixed-space approach to treating the interactions between lattice vibration and polarization, its applications to accurately predicting the phonon and associated thermal properties, and itsmore » implementations in a number of existing phonon codes.« less

Hydrodynamic cavitation in Stokes flow of anisotropic fluids.

PubMed

Stieger, Tillmann; Agha, Hakam; Schoen, Martin; Mazza, Marco G; Sengupta, Anupam

2017-05-30

Cavitation, the nucleation of vapour in liquids, is ubiquitous in fluid dynamics, and is often implicated in a myriad of industrial and biomedical applications. Although extensively studied in isotropic liquids, corresponding investigations in anisotropic liquids are largely lacking. Here, by combining liquid crystal microfluidic experiments, nonequilibrium molecular dynamics simulations and theoretical arguments, we report flow-induced cavitation in an anisotropic fluid. The cavitation domain nucleates due to sudden pressure drop upon flow past a cylindrical obstacle within a microchannel. For an anisotropic fluid, the inception and growth of the cavitation domain ensued in the Stokes regime, while no cavitation was observed in isotropic liquids flowing under similar hydrodynamic parameters. Using simulations we identify a critical value of the Reynolds number for cavitation inception that scales inversely with the order parameter of the fluid. Strikingly, the critical Reynolds number for anisotropic fluids can be 50% lower than that of isotropic fluids.

Hydrodynamic cavitation in Stokes flow of anisotropic fluids

NASA Astrophysics Data System (ADS)

Stieger, Tillmann; Agha, Hakam; Schoen, Martin; Mazza, Marco G.; Sengupta, Anupam

2017-05-01

Cavitation, the nucleation of vapour in liquids, is ubiquitous in fluid dynamics, and is often implicated in a myriad of industrial and biomedical applications. Although extensively studied in isotropic liquids, corresponding investigations in anisotropic liquids are largely lacking. Here, by combining liquid crystal microfluidic experiments, nonequilibrium molecular dynamics simulations and theoretical arguments, we report flow-induced cavitation in an anisotropic fluid. The cavitation domain nucleates due to sudden pressure drop upon flow past a cylindrical obstacle within a microchannel. For an anisotropic fluid, the inception and growth of the cavitation domain ensued in the Stokes regime, while no cavitation was observed in isotropic liquids flowing under similar hydrodynamic parameters. Using simulations we identify a critical value of the Reynolds number for cavitation inception that scales inversely with the order parameter of the fluid. Strikingly, the critical Reynolds number for anisotropic fluids can be 50% lower than that of isotropic fluids.

Lattice-level measurement of material strength with LCLS during ultrafast dynamic compression

NASA Astrophysics Data System (ADS)

Milathianaki, Despina; Boutet, Sebastien; Ratner, Daniel; White, William; Williams, Garth; Gleason, Arianna; Swift, Damian; Higginbotham, Andrew; Wark, Justin

2013-10-01

An in-depth understanding of the stress-strain behavior of materials during ultrafast dynamic compression requires experiments that offer in-situ observation of the lattice at the pertinent temporal and spatial scales. To date, the lattice response under extreme strain-rate conditions (>108 s-1) has been inferred predominantly from continuum-level measurements and multi-million atom molecular dynamics simulations. Several time-resolved x-ray diffraction experiments have captured important information on plasticity kinetics, while limited to nanosecond timescales due to the lack of high brilliance ultrafast x-ray sources. Here we present experiments at LCLS combining ultrafast laser-shocks and serial femtosecond x-ray diffraction. The high spectral brightness (~1012 photons per pulse, ΔE/E = 0.2%) and subpicosecond temporal resolution (<100 fs pulsewidth) of the LCLS x-ray free electron laser allow investigations that link simulations and experiments at the fundamental temporal and spatial scales for the first time. We present movies of the lattice undergoing rapid shock-compression, composed by a series of single femtosecond x-ray snapshots, demonstrating the transient behavior while successfully decoupling the elastic and plastic response in polycrystalline Cu.

Complex photonic lattices embedded with tailored intrinsic defects by a dynamically reconfigurable single step interferometric approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xavier, Jolly, E-mail: jolly.xavierp@physics.iitd.ac.in; Joseph, Joby, E-mail: joby@physics.iitd.ac.in

2014-02-24

We report sculptured diverse photonic lattices simultaneously embedded with intrinsic defects of tunable type, number, shape as well as position by a single-step dynamically reconfigurable fabrication approach based on a programmable phase spatial light modulator-assisted interference lithography. The presented results on controlled formation of intrinsic defects in periodic as well as transversely quasicrystallographic lattices, irrespective and independent of their designed lattice geometry, portray the flexibility and versatility of the approach. The defect-formation in photonic lattices is also experimentally analyzed. Further, we also demonstrate the feasibility of fabrication of such defects-embedded photonic lattices in a photoresist, aiming concrete integrated photonic applications.

Adaptive identification and control of structural dynamics systems using recursive lattice filters

NASA Technical Reports Server (NTRS)

Sundararajan, N.; Montgomery, R. C.; Williams, J. P.

1985-01-01

A new approach for adaptive identification and control of structural dynamic systems by using least squares lattice filters thar are widely used in the signal processing area is presented. Testing procedures for interfacing the lattice filter identification methods and modal control method for stable closed loop adaptive control are presented. The methods are illustrated for a free-free beam and for a complex flexible grid, with the basic control objective being vibration suppression. The approach is validated by using both simulations and experimental facilities available at the Langley Research Center.

Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision

NASA Astrophysics Data System (ADS)

Li, Ying; Kalia, Rajiv K.; Misawa, Masaaki; Nakano, Aiichiro; Nomura, Ken-Ichi; Shimamura, Kohei; Shimojo, Fuyuki; Vashishta, Priya

2016-05-01

At the nanoscale, chemistry can happen quite differently due to mechanical forces selectively breaking the chemical bonds of materials. The interaction between chemistry and mechanical forces can be classified as mechanochemistry. An example of archetypal mechanochemistry occurs at the nanoscale in anisotropic detonating of a broad class of layered energetic molecular crystals bonded by inter-layer van der Waals (vdW) interactions. Here, we introduce an ab initio study of the collision, in which quantum molecular dynamic simulations of binary collisions between energetic vdW crystallites, TATB molecules, reveal atomistic mechanisms of anisotropic shock sensitivity. The highly sensitive lateral collision was found to originate from the twisting and bending to breaking of nitro-groups mediated by strong intra-layer hydrogen bonds. This causes the closing of the electronic energy gap due to an inverse Jahn-Teller effect. On the other hand, the insensitive collisions normal to multilayers are accomplished by more delocalized molecular deformations mediated by inter-layer interactions. Our nano-collision studies provide a much needed atomistic understanding for the rational design of insensitive energetic nanomaterials and the detonation synthesis of novel nanomaterials.At the nanoscale, chemistry can happen quite differently due to mechanical forces selectively breaking the chemical bonds of materials. The interaction between chemistry and mechanical forces can be classified as mechanochemistry. An example of archetypal mechanochemistry occurs at the nanoscale in anisotropic detonating of a broad class of layered energetic molecular crystals bonded by inter-layer van der Waals (vdW) interactions. Here, we introduce an ab initio study of the collision, in which quantum molecular dynamic simulations of binary collisions between energetic vdW crystallites, TATB molecules, reveal atomistic mechanisms of anisotropic shock sensitivity. The highly sensitive lateral collision

Weakly Nonergodic Dynamics in the Gross-Pitaevskii Lattice

NASA Astrophysics Data System (ADS)

Mithun, Thudiyangal; Kati, Yagmur; Danieli, Carlo; Flach, Sergej

2018-05-01

The microcanonical Gross-Pitaevskii (also known as the semiclassical Bose-Hubbard) lattice model dynamics is characterized by a pair of energy and norm densities. The grand canonical Gibbs distribution fails to describe a part of the density space, due to the boundedness of its kinetic energy spectrum. We define Poincaré equilibrium manifolds and compute the statistics of microcanonical excursion times off them. The tails of the distribution functions quantify the proximity of the many-body dynamics to a weakly nonergodic phase, which occurs when the average excursion time is infinite. We find that a crossover to weakly nonergodic dynamics takes place inside the non-Gibbs phase, being unnoticed by the largest Lyapunov exponent. In the ergodic part of the non-Gibbs phase, the Gibbs distribution should be replaced by an unknown modified one. We relate our findings to the corresponding integrable limit, close to which the actions are interacting through a short range coupling network.

A FFT-based formulation for efficient mechanical fields computation in isotropic and anisotropic periodic discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Bertin, N.; Upadhyay, M. V.; Pradalier, C.; Capolungo, L.

2015-09-01

In this paper, we propose a novel full-field approach based on the fast Fourier transform (FFT) technique to compute mechanical fields in periodic discrete dislocation dynamics (DDD) simulations for anisotropic materials: the DDD-FFT approach. By coupling the FFT-based approach to the discrete continuous model, the present approach benefits from the high computational efficiency of the FFT algorithm, while allowing for a discrete representation of dislocation lines. It is demonstrated that the computational time associated with the new DDD-FFT approach is significantly lower than that of current DDD approaches when large number of dislocation segments are involved for isotropic and anisotropic elasticity, respectively. Furthermore, for fine Fourier grids, the treatment of anisotropic elasticity comes at a similar computational cost to that of isotropic simulation. Thus, the proposed approach paves the way towards achieving scale transition from DDD to mesoscale plasticity, especially due to the method’s ability to incorporate inhomogeneous elasticity.

Quantum phases of dipolar rotors on two-dimensional lattices

NASA Astrophysics Data System (ADS)

Abolins, B. P.; Zillich, R. E.; Whaley, K. B.

2018-03-01

The quantum phase transitions of dipoles confined to the vertices of two-dimensional lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo. We analyze the phase diagram as a function of the strength of both the dipolar interaction and a transverse electric field. The study reveals the existence of a class of orientational phases of quantum dipolar rotors whose properties are determined by the ratios between the strength of the anisotropic dipole-dipole interaction, the strength of the applied transverse field, and the rotational constant. For the triangular lattice, the generic orientationally disordered phase found at zero and weak values of both dipolar interaction strength and applied field is found to show a transition to a phase characterized by net polarization in the lattice plane as the strength of the dipole-dipole interaction is increased, independent of the strength of the applied transverse field, in addition to the expected transition to a transverse polarized phase as the electric field strength increases. The square lattice is also found to exhibit a transition from a disordered phase to an ordered phase as the dipole-dipole interaction strength is increased, as well as the expected transition to a transverse polarized phase as the electric field strength increases. In contrast to the situation with a triangular lattice, on square lattices, the ordered phase at high dipole-dipole interaction strength possesses a striped ordering. The properties of these quantum dipolar rotor phases are dominated by the anisotropy of the interaction and provide useful models for developing quantum phases beyond the well-known paradigms of spin Hamiltonian models, implementing in particular a novel physical realization of a quantum rotor-like Hamiltonian that possesses an anisotropic long range interaction.

I = 1 and I = 2 π-π scattering phase shifts from Nf = 2 + 1 lattice QCD

NASA Astrophysics Data System (ADS)

Bulava, John; Fahy, Brendan; Hörz, Ben; Juge, Keisuke J.; Morningstar, Colin; Wong, Chik Him

2016-09-01

The I = 1 p-wave and I = 2 s-wave elastic π-π scattering amplitudes are calculated from a first-principles lattice QCD simulation using a single ensemble of gauge field configurations with Nf = 2 + 1 dynamical flavors of anisotropic clover-improved Wilson fermions. This ensemble has a large spatial volume V =(3.7 fm)3, pion mass mπ = 230 MeV, and spatial lattice spacing as = 0.11 fm. Calculation of the necessary temporal correlation matrices is efficiently performed using the stochastic LapH method, while the large volume enables an improved energy resolution compared to previous work. For this single ensemble we obtain mρ /mπ = 3.350 (24), gρππ = 5.99 (26), and a clear signal for the I = 2 s-wave. The success of the stochastic LapH method in this proof-of-principle large-volume calculation paves the way for quantitative study of the lattice spacing effects and quark mass dependence of scattering amplitudes using state-of-the-art ensembles.

Dark soliton dynamics and interactions in continuous-wave-induced lattices.

PubMed

Tsopelas, Ilias; Kominis, Yannis; Hizanidis, Kyriakos

2007-10-01

The dynamics of dark spatial soliton beams and their interaction under the presence of a continuous wave (CW), which dynamically induces a photonic lattice, are investigated. It is shown that appropriate selection of the characteristic parameters of the CW result in controllable steering of a single soliton as well as controllable interaction between two solitons. Depending on the CW parameters, the soliton angle of propagation can be changed drastically, while two-soliton interaction can be either enhanced or reduced, suggesting a reconfigurable soliton control mechanism. Our analytical approach, based on the variational perturbation method, provides a dynamical system for the dark soliton evolution parameters. Analytical results are shown in good agreement with direct numerical simulations.

Hydrodynamic cavitation in Stokes flow of anisotropic fluids

PubMed Central

Stieger, Tillmann; Agha, Hakam; Schoen, Martin; Mazza, Marco G.; Sengupta, Anupam

2017-01-01

Cavitation, the nucleation of vapour in liquids, is ubiquitous in fluid dynamics, and is often implicated in a myriad of industrial and biomedical applications. Although extensively studied in isotropic liquids, corresponding investigations in anisotropic liquids are largely lacking. Here, by combining liquid crystal microfluidic experiments, nonequilibrium molecular dynamics simulations and theoretical arguments, we report flow-induced cavitation in an anisotropic fluid. The cavitation domain nucleates due to sudden pressure drop upon flow past a cylindrical obstacle within a microchannel. For an anisotropic fluid, the inception and growth of the cavitation domain ensued in the Stokes regime, while no cavitation was observed in isotropic liquids flowing under similar hydrodynamic parameters. Using simulations we identify a critical value of the Reynolds number for cavitation inception that scales inversely with the order parameter of the fluid. Strikingly, the critical Reynolds number for anisotropic fluids can be 50% lower than that of isotropic fluids. PMID:28555615

Shock dynamics of two-lane driven lattice gases

NASA Astrophysics Data System (ADS)

Schiffmann, Christoph; Appert-Rolland, Cécile; Santen, Ludger

2010-06-01

Driven lattice gases such as those of the ASEP model are useful tools for the modelling of various stochastic transport processes carried out by self-driven particles, such as molecular motors or vehicles in road traffic. Often these processes take place in one-dimensional systems offering several tracks to the particles, and in many cases the particles are able to change track with a given rate. In this work we consider the case of strong coupling where the rate of hopping along the tracks and the exchange rates are of the same order, and show how a phenomenological approach based on a domain wall theory can be used to describe the dynamics of the system. In particular, the domain walls on the different tracks form pairs, whose dynamics dominate the behaviour of the system.

All-electrical detection of spin dynamics in magnetic antidot lattices by the inverse spin Hall effect

DOE PAGES

Jungfleisch, Matthias B.; Zhang, Wei; Ding, Junjia; ...

2016-02-03

The understanding of spin dynamics in laterally confined structures on sub-micron length scales has become a significant aspect of the development of novel magnetic storage technologies. Numerous ferromagnetic resonance measurements, optical characterization by Kerr microscopy and Brillouin light scattering spectroscopy and x-ray studies were carried out to detect the dynamics in patterned magnetic antidot lattices. Here, we investigate Oersted-field driven spin dynamics in rectangular Ni80Fe20/Pt antidot lattices with different lattice parameters by electrical means. When the system is driven to resonance, a dc voltage across the length of the sample is detected that changes its sign upon field reversal, whichmore » is in agreement with a rectification mechanism based on the inverse spin Hall effect. Furthermore, we show that the voltage output scales linearly with the applied microwave drive in the investigated range of powers. Lastly, our findings have direct implications on the development of engineered magnonics applications and devices.« less

Topological dynamics of gyroscopic and Floquet lattices from Newton's laws

NASA Astrophysics Data System (ADS)

Lee, Ching Hua; Li, Guangjie; Jin, Guliuxin; Liu, Yuhan; Zhang, Xiao

2018-02-01

Despite intense interest in realizing topological phases across a variety of electronic, photonic, and mechanical platforms, the detailed microscopic origin of topological behavior often remains elusive. To bridge this conceptual gap, we show how hallmarks of topological modes—boundary localization and chirality—emerge from Newton's laws in mechanical topological systems. We first construct a gyroscopic lattice with analytically solvable edge modes, and show how the Lorentz and spring restoring forces conspire to support very robust "dangling bond" boundary modes. The chirality and locality of these modes intuitively emerges from microscopic balancing of restoring forces and cyclotron tendencies. Next, we introduce the highlight of this work, an experimentally realistic mechanical nonequilibrium (Floquet) Chern lattice driven by ac electromagnets. Through appropriate synchronization of the ac driving protocol, the Floquet lattice is "pushed around" by a rotating potential analogous to an object washed ashore by water waves. Besides hosting "dangling bond" chiral modes analogous to the gyroscopic boundary modes, our Floquet Chern lattice also supports peculiar half-period chiral modes with no static analog, i.e., analogs of anomalous Floquet Chern insulators edge modes. With key parameters controlled electronically, our setup has the advantage of being dynamically tunable for applications involving arbitrary Floquet modulations. The physical intuition gleaned from our two prototypical topological systems is applicable not just to arbitrarily complicated mechanical systems, but also photonic and electrical topological setups.

Optical Lattice Simulations of Correlated Fermions

DTIC Science & Technology

2013-10-04

Zhang, Xiaopeng Li, W. Vincent Liu. Stripe , checkerboard, and liquid-crystal ordering from anisotropic p-orbital Fermi surfaces in optical lattices...Meeting "The Role of Interactions in Disorder Induced Damping of Dipole Oscillations of a Bose-Einstein Condensate", S. Pollack, APS March Meeting...Rev. A 85, 043603 (2012)], and also worked out the diffusive transport behavior of the polarized Fermi gas, including heat transport, spin Seebeck

Nonlinear stochastic interacting dynamics and complexity of financial gasket fractal-like lattice percolation

NASA Astrophysics Data System (ADS)

Zhang, Wei; Wang, Jun

2018-05-01

A novel nonlinear stochastic interacting price dynamics is proposed and investigated by the bond percolation on Sierpinski gasket fractal-like lattice, aim to make a new approach to reproduce and study the complexity dynamics of real security markets. Fractal-like lattices correspond to finite graphs with vertices and edges, which are similar to fractals, and Sierpinski gasket is a well-known example of fractals. Fractional ordinal array entropy and fractional ordinal array complexity are introduced to analyze the complexity behaviors of financial signals. To deeper comprehend the fluctuation characteristics of the stochastic price evolution, the complexity analysis of random logarithmic returns and volatility are preformed, including power-law distribution, fractional sample entropy and fractional ordinal array complexity. For further verifying the rationality and validity of the developed stochastic price evolution, the actual security market dataset are also studied with the same statistical methods for comparison. The empirical results show that this stochastic price dynamics can reconstruct complexity behaviors of the actual security markets to some extent.

Quantum phase transition and quench dynamics in the anisotropic Rabi model

NASA Astrophysics Data System (ADS)

Shen, Li-Tuo; Yang, Zhen-Biao; Wu, Huai-Zhi; Zheng, Shi-Biao

2017-01-01

We investigate the quantum phase transition (QPT) and quench dynamics in the anisotropic Rabi model when the ratio of the qubit transition frequency to the oscillator frequency approaches infinity. Based on the Schrieffer-Wolff transformation, we find an anti-Hermitian operator that maps the original Hamiltonian into a one-dimensional oscillator Hamiltonian within the spin-down subspace. We analytically derive the eigenenergy and eigenstate of the normal and superradiant phases and demonstrate that the system undergoes a second-order quantum phase transition at a critical border. The critical border is a straight line in a two-dimensional parameter space which essentially extends the dimensionality of QPT in the Rabi model. By combining the Kibble-Zurek mechanism and the adiabatic dynamics method, we find that the residual energy vanishes as the quench time tends to zero, which is a sharp contrast to the universal scaling where the residual energy diverges in the same limit.

Anisotropic light scattering of individual sickle red blood cells.

PubMed

Kim, Youngchan; Higgins, John M; Dasari, Ramachandra R; Suresh, Subra; Park, YongKeun

2012-04-01

We present the anisotropic light scattering of individual red blood cells (RBCs) from a patient with sickle cell disease (SCD). To measure light scattering spectra along two independent axes of elongated-shaped sickle RBCs with arbitrary orientation, we introduce the anisotropic Fourier transform light scattering (aFTLS) technique and measured both the static and dynamic anisotropic light scattering. We observed strong anisotropy in light scattering patterns of elongated-shaped sickle RBCs along its major axes using static aFTLS. Dynamic aFTLS analysis reveals the significantly altered biophysical properties in individual sickle RBCs. These results provide evidence that effective viscosity and elasticity of sickle RBCs are significantly different from those of the healthy RBCs.

Simulation of plume dynamics by the Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Mora, Peter; Yuen, David A.

2017-09-01

The Lattice Boltzmann Method (LBM) is a semi-microscopic method to simulate fluid mechanics by modelling distributions of particles moving and colliding on a lattice. We present 2-D simulations using the LBM of a fluid in a rectangular box being heated from below, and cooled from above, with a Rayleigh of Ra = 108, similar to current estimates of the Earth's mantle, and a Prandtl number of 5000. At this Prandtl number, the flow is found to be in the non-inertial regime where the inertial terms denoted I ≪ 1. Hence, the simulations presented lie within the regime of relevance for geodynamical problems. We obtain narrow upwelling plumes with mushroom heads and chutes of downwelling fluid as expected of a flow in the non-inertial regime. The method developed demonstrates that the LBM has great potential for simulating thermal convection and plume dynamics relevant to geodynamics, albeit with some limitations.

Membrane dynamics of dividing cells imaged by lattice light-sheet microscopy

PubMed Central

Aguet, François; Upadhyayula, Srigokul; Gaudin, Raphaël; Chou, Yi-ying; Cocucci, Emanuele; He, Kangmin; Chen, Bi-Chang; Mosaliganti, Kishore; Pasham, Mithun; Skillern, Wesley; Legant, Wesley R.; Liu, Tsung-Li; Findlay, Greg; Marino, Eric; Danuser, Gaudenz; Megason, Sean; Betzig, Eric; Kirchhausen, Tom

2016-01-01

Membrane remodeling is an essential part of transferring components to and from the cell surface and membrane-bound organelles and for changes in cell shape, which are particularly critical during cell division. Earlier analyses, based on classical optical live-cell imaging and mostly restricted by technical necessity to the attached bottom surface, showed persistent formation of endocytic clathrin pits and vesicles during mitosis. Taking advantage of the resolution, speed, and noninvasive illumination of the newly developed lattice light-sheet fluorescence microscope, we reexamined their assembly dynamics over the entire cell surface and found that clathrin pits form at a lower rate during late mitosis. Full-cell imaging measurements of cell surface area and volume throughout the cell cycle of single cells in culture and in zebrafish embryos showed that the total surface increased rapidly during the transition from telophase to cytokinesis, whereas cell volume increased slightly in metaphase and was relatively constant during cytokinesis. These applications demonstrate the advantage of lattice light-sheet microscopy and enable a new standard for imaging membrane dynamics in single cells and multicellular assemblies. PMID:27535432

Mixed models and reduction method for dynamic analysis of anisotropic shells

NASA Technical Reports Server (NTRS)

Noor, A. K.; Peters, J. M.

1985-01-01

A time-domain computational procedure is presented for predicting the dynamic response of laminated anisotropic shells. The two key elements of the procedure are: (1) use of mixed finite element models having independent interpolation (shape) functions for stress resultants and generalized displacements for the spatial discretization of the shell, with the stress resultants allowed to be discontinuous at interelement boundaries; and (2) use of a dynamic reduction method, with the global approximation vectors consisting of the static solution and an orthogonal set of Lanczos vectors. The dynamic reduction is accomplished by means of successive application of the finite element method and the classical Rayleigh-Ritz technique. The finite element method is first used to generate the global approximation vectors. Then the Rayleigh-Ritz technique is used to generate a reduced system of ordinary differential equations in the amplitudes of these modes. The temporal integration of the reduced differential equations is performed by using an explicit half-station central difference scheme (Leap-frog method). The effectiveness of the proposed procedure is demonstrated by means of a numerical example and its advantages over reduction methods used with the displacement formulation are discussed.

Dynamics of vortex dipoles in anisotropic Bose-Einstein condensates

DOE PAGES

Goodman, Roy H.; Kevrekidis, P. G.; Carretero-González, R.

2015-04-14

We study the motion of a vortex dipole in a Bose-Einstein condensate confined to an anisotropic trap. We focus on a system of ODEs describing the vortices' motion, which is in turn a reduced model of the Gross-Pitaevskii equation describing the condensate's motion. Using a sequence of canonical changes of variables, we reduce the dimension and simplify the equations of motion. In this study, we uncover two interesting regimes. Near a family of periodic orbits known as guiding centers, we find that the dynamics is essentially that of a pendulum coupled to a linear oscillator, leading to stochastic reversals inmore » the overall direction of rotation of the dipole. Near the separatrix orbit in the isotropic system, we find other families of periodic, quasi-periodic, and chaotic trajectories. In a neighborhood of the guiding center orbits, we derive an explicit iterated map that simplifies the problem further. Numerical calculations are used to illustrate the phenomena discovered through the analysis. Using the results from the reduced system, we are able to construct complex periodic orbits in the original, PDE, mean-field model for Bose-Einstein condensates, which corroborates the phenomenology observed in the reduced dynamical equations.« less

Dynamics of vortex dipoles in anisotropic Bose-Einstein condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goodman, Roy H.; Kevrekidis, P. G.; Carretero-González, R.

We study the motion of a vortex dipole in a Bose-Einstein condensate confined to an anisotropic trap. We focus on a system of ODEs describing the vortices' motion, which is in turn a reduced model of the Gross-Pitaevskii equation describing the condensate's motion. Using a sequence of canonical changes of variables, we reduce the dimension and simplify the equations of motion. In this study, we uncover two interesting regimes. Near a family of periodic orbits known as guiding centers, we find that the dynamics is essentially that of a pendulum coupled to a linear oscillator, leading to stochastic reversals inmore » the overall direction of rotation of the dipole. Near the separatrix orbit in the isotropic system, we find other families of periodic, quasi-periodic, and chaotic trajectories. In a neighborhood of the guiding center orbits, we derive an explicit iterated map that simplifies the problem further. Numerical calculations are used to illustrate the phenomena discovered through the analysis. Using the results from the reduced system, we are able to construct complex periodic orbits in the original, PDE, mean-field model for Bose-Einstein condensates, which corroborates the phenomenology observed in the reduced dynamical equations.« less

A unifying approach to lattice dynamical and electronic properties of solids

NASA Astrophysics Data System (ADS)

Falter, C.

1988-06-01

A unified analysis of lattice dynamical and electronic properties of solids with special emphasis on the interaction between electrons and phonons is presented. The article is roughly divided into two parts reflecting different points of view. The density response of the electrons provides the link between these parts. In the first part, the microscopic theory in terms of the density response in crystals is discussed. Relations are pointed out between the density response approach and the density functional theory. The latter is used for a representation of the exchange-correlation interaction and the microscopic force constants. Relevant methods, as recently proposed by various authors for the calculation of the density response in inhomogeneous solids are discussed. Particular attention is paid to the development of a renormalized response description. Applications of this method to lattice dynamical and electronic properties are presented. In the second part an alternative physical concept, the quasi-ion approach, is outlined. This concept is shown to provide a microscopic basis for electronic charge localization in crystals and proves the importance of the correlation between crystal symmetry and many-body effects. Is is derived that within linear response theory an appropriate decomposition of the valence charge density leads uniquely to a spatially localized density contribution at the individual ion which follows its motion rigidly. The composite consisting of this partial density and the ion core is taken to be an individual entity, denoted as quasi-ion, from which the crystal is built up. In a certain sense this is a generalization of Ziman's concept of neutral pseudo-atoms being approximately valid in simple metals. New insight into the bonding mechanism and charge relaxation processes is shown to follow from this concept. In particular, we discuss the covalent, ionic and metallic bonding mechanisms, using the localized picture provided by the partial

Anisotropic polarization π -molecular skeleton coupled dynamics in proton-displacive organic ferroelectrics

NASA Astrophysics Data System (ADS)

Fujioka, J.; Horiuchi, S.; Kida, N.; Shimano, R.; Tokura, Y.

2009-09-01

We have investigated the polarization π -molecular skeleton coupled dynamics for the proton-displacive organic ferroelectrics, cocrystal of phenazine with the 2,5-dihalo-3,6-dihydroxy-p-benzoquinones by measurements of the terahertz/infrared spectroscopy. In the course of the ferroelectric-to-paraelectric transition, the ferroelectric soft phonon mode originating from the intermolecular dynamical displacement is observed in the imaginary part of dielectric spectra γ2 , when the electric field of the light (E) is parallel to the spontaneous polarization (P) . The soft phonon mode is isolated from the intramolecular vibrational mode and hence the intramolecular skeleton dynamics is almost decoupled from the polarization fluctuation. In the spectra for E parallel to the hydrogen-bonded supramolecular chain, by contrast, the vibrational mode mainly originating from the oxygen atom motion within the π -molecular plane is anomalously blurred and amalgamated into the polarization relaxation mode concomitantly with the dynamical proton disorder. This indicates that the dynamical disorder of the intramolecular skeleton structure, specifically that of oxygen atom, is strongly enhanced by the proton fluctuation and is significantly coupled to the polarization fluctuation along the hydrogen-bonded supramolecular chain. The results are discussed in terms of the proton-mediated anisotropic polarization π -molecular skeleton interaction, which characterizes these emerging proton-displacive ferroelectrics.

Tadpole-improved SU(2) lattice gauge theory

NASA Astrophysics Data System (ADS)

Shakespeare, Norman H.; Trottier, Howard D.

1999-01-01

A comprehensive analysis of tadpole-improved SU(2) lattice gauge theory is made. Simulations are done on isotropic and anisotropic lattices, with and without improvement. Two tadpole renormalization schemes are employed, one using average plaquettes, the other using mean links in the Landau gauge. Simulations are done with spatial lattice spacings as in the range of about 0.1-0.4 fm. Results are presented for the static quark potential, the renormalized lattice anisotropy at/as (where at is the ``temporal'' lattice spacing), and for the scalar and tensor glueball masses. Tadpole improvement significantly reduces discretization errors in the static quark potential and in the scalar glueball mass, and results in very little renormalization of the bare anisotropy that is input to the action. We also find that tadpole improvement using mean links in the Landau gauge results in smaller discretization errors in the scalar glueball mass (as well as in the static quark potential), compared to when average plaquettes are used. The possibility is also raised that further improvement in the scalar glueball mass may result when the coefficients of the operators which correct for discretization errors in the action are computed beyond the tree level.

Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

NASA Astrophysics Data System (ADS)

Wu, Xufei; Liu, Zeyu; Luo, Tengfei

2018-02-01

In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

Nanocrystalline silicon: Lattice dynamics and enhanced thermoelectric properties

DOE PAGES

Claudio, Tania; Stein, Niklas; Stroppa, Daniel G.; ...

2014-12-21

In this study, silicon has several advantages when compared to other thermoelectric materials, but until recently it was not used for thermoelectric applications due to its high thermal conductivity, 156 W K -1 m -1 at room temperature. Nanostructuration as means to decrease thermal transport through enhanced phonon scattering has been a subject of many studies. In this work we have evaluated the effects of nanostructuration on the lattice dynamics of bulk nanocrystalline doped silicon. The samples were prepared by gas phase synthesis, followed by current and pressure assisted sintering. The heat capacity, density of phonons states, and elastic constantsmore » were measured, which all reveal a significant, ≈25%, reduction in the speed of sound. The samples present a significantly decreased lattice thermal conductivity, ≈25 W K -1 m -1, which, combined with a very high carrier mobility, results in a dimensionless figure of merit with a competitive value that peaks at ZT ≈ 0.57 at 973 °C. Due to its easily scalable and extremely low-cost production process, nanocrystalline Si prepared by gas phase synthesis followed by sintering could become the material of choice for high temperature thermoelectric generators.« less

The M-Integral for Computing Stress Intensity Factors in Generally Anisotropic Materials

NASA Technical Reports Server (NTRS)

Warzynek, P. A.; Carter, B. J.; Banks-Sills, L.

2005-01-01

The objective of this project is to develop and demonstrate a capability for computing stress intensity factors in generally anisotropic materials. These objectives have been met. The primary deliverable of this project is this report and the information it contains. In addition, we have delivered the source code for a subroutine that will compute stress intensity factors for anisotropic materials encoded in both the C and Python programming languages and made available a version of the FRANC3D program that incorporates this subroutine. Single crystal super alloys are commonly used for components in the hot sections of contemporary jet and rocket engines. Because these components have a uniform atomic lattice orientation throughout, they exhibit anisotropic material behavior. This means that stress intensity solutions developed for isotropic materials are not appropriate for the analysis of crack growth in these materials. Until now, a general numerical technique did not exist for computing stress intensity factors of cracks in anisotropic materials and cubic materials in particular. Such a capability was developed during the project and is described and demonstrated herein.

An irregular lattice method for elastic wave propagation

NASA Astrophysics Data System (ADS)

O'Brien, Gareth S.; Bean, Christopher J.

2011-12-01

Lattice methods are a class of numerical scheme which represent a medium as a connection of interacting nodes or particles. In the case of modelling seismic wave propagation, the interaction term is determined from Hooke's Law including a bond-bending term. This approach has been shown to model isotropic seismic wave propagation in an elastic or viscoelastic medium by selecting the appropriate underlying lattice structure. To predetermine the material constants, this methodology has been restricted to regular grids, hexagonal or square in 2-D or cubic in 3-D. Here, we present a method for isotropic elastic wave propagation where we can remove this lattice restriction. The methodology is outlined and a relationship between the elastic material properties and an irregular lattice geometry are derived. The numerical method is compared with an analytical solution for wave propagation in an infinite homogeneous body along with comparing the method with a numerical solution for a layered elastic medium. The dispersion properties of this method are derived from a plane wave analysis showing the scheme is more dispersive than a regular lattice method. Therefore, the computational costs of using an irregular lattice are higher. However, by removing the regular lattice structure the anisotropic nature of fracture propagation in such methods can be removed.

Finite-Temperature Entanglement Dynamics in an Anisotropic Two-Qubit Heisenberg Spin Chain

NASA Astrophysics Data System (ADS)

Chen, Tao; Shan, Chuanjia; Li, Jinxing; Liu, Tangkun; Huang, Yanxia; Li, Hong

2010-07-01

This paper investigates the entanglement dynamics of an anisotropic two-qubit Heisenberg spin chain in the presence of decoherence at finite temperature. The time evolution of the concurrence is studied for different initial Werner states. The influences of initial purity, finite temperature, spontaneous decay and Hamiltonian on the entanglement evolution are analyzed in detail. Our calculations show that the finite temperature restricts the evolution of the entanglement all the time when the Hamiltonian improves it and the spontaneous decay to the reservoirs can produce quantum entanglement with the anisotropy of spin-spin interaction. Finally, the steady-state concurrence which may remain non-zero for low temperature is also given.

The family of anisotropically scaled equatorial waves

NASA Astrophysics Data System (ADS)

RamíRez GutiéRrez, Enver; da Silva Dias, Pedro Leite; Raupp, Carlos; Bonatti, Jose Paulo

2011-04-01

In the present work we introduce the family of anisotropic equatorial waves. This family corresponds to equatorial waves at intermediate states between the shallow water and the long wave approximation model. The new family is obtained by using anisotropic time/space scalings on the linearized, unforced and inviscid shallow water model. It is shown that the anisotropic equatorial waves tend to the solutions of the long wave model in one extreme and to the shallow water model solutions in the other extreme of the parameter dependency. Thus, the problem associated with the completeness of the long wave model solutions can be asymptotically addressed. The anisotropic dispersion relation is computed and, in addition to the typical dependency on the equivalent depth, meridional quantum number and zonal wavenumber, it also depends on the anisotropy between both zonal to meridional space and velocity scales as well as the fast to slow time scales ratio. For magnitudes of the scales compatible with those of the tropical region, both mixed Rossby-gravity and inertio-gravity waves are shifted to a moderately higher frequency and, consequently, not filtered out. This draws attention to the fact that, for completeness of the long wave like solutions, it is necessary to include both the anisotropic mixed Rossby-gravity and inertio-gravity waves. Furthermore, the connection of slow and fast manifolds (distinguishing feature of equatorial dynamics) is preserved, though modified for the equatorial anisotropy parameters used δ ∈ < 1]. New possibilities of horizontal and vertical scale nonlinear interactions are allowed. Thus, the anisotropic shallow water model is of fundamental importance for understanding multiscale atmosphere and ocean dynamics in the tropics.

Nonequilibrium lattice-driven dynamics of stripes in nickelates using time-resolved x-ray scattering

DOE PAGES

Lee, W. S.; Kung, Y. F.; Moritz, B.; ...

2017-03-13

Here, we investigate the lattice coupling to the spin and charge orders in the striped nickelate, La 1.75 Sr 0.25 NiO 4, using time-resolved resonant x-ray scattering. Lattice-driven dynamics of both spin and charge orders are observed when the pump photon energy is tuned to that of an E u bond- stretching phonon. We present a likely scenario for the behavior of the spin and charge order parameters and its implications using a Ginzburg-Landau theory.

Nonequilibrium lattice-driven dynamics of stripes in nickelates using time-resolved x-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, W. S.; Kung, Y. F.; Moritz, B.

Here, we investigate the lattice coupling to the spin and charge orders in the striped nickelate, La 1.75 Sr 0.25 NiO 4, using time-resolved resonant x-ray scattering. Lattice-driven dynamics of both spin and charge orders are observed when the pump photon energy is tuned to that of an E u bond- stretching phonon. We present a likely scenario for the behavior of the spin and charge order parameters and its implications using a Ginzburg-Landau theory.

Nonequilibrium lattice-driven dynamics of stripes in nickelates using time-resolved x-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, W. S.; Kung, Y. F.; Moritz, B.

We investigate the lattice coupling to the spin and charge orders in the striped nickelate, La 1.75 Sr 0.25 NiO 4 , using time-resolved resonant x-ray scattering. Lattice-driven dynamics of both spin and charge orders are observed when the pump photon energy is tuned to that of an E u bond- stretching phonon. We present a likely scenario for the behavior of the spin and charge order parameters and its implications using a Ginzburg-Landau theory.

Gravitational field calculations on a dynamic lattice by distributed computing.

NASA Astrophysics Data System (ADS)

Mähönen, P.; Punkka, V.

A new method of calculating numerically time evolution of a gravitational field in general relativity is introduced. Vierbein (tetrad) formalism, dynamic lattice and massively parallelized computation are suggested as they are expected to speed up the calculations considerably and facilitate the solution of problems previously considered too hard to be solved, such as the time evolution of a system consisting of two or more black holes or the structure of worm holes.

Gravitation Field Calculations on a Dynamic Lattice by Distributed Computing

NASA Astrophysics Data System (ADS)

Mähönen, Petri; Punkka, Veikko

A new method of calculating numerically time evolution of a gravitational field in General Relatity is introduced. Vierbein (tetrad) formalism, dynamic lattice and massively parallelized computation are suggested as they are expected to speed up the calculations considerably and facilitate the solution of problems previously considered too hard to be solved, such as the time evolution of a system consisting of two or more black holes or the structure of worm holes.

Melting of the Abrikosov flux lattice in anisotropic superconductors

NASA Technical Reports Server (NTRS)

Beck, R. G.; Farrell, D. E.; Rice, J. P.; Ginsberg, D. M.; Kogan, V. G.

1992-01-01

It has been proposed that the Abrikosov flux lattice in high-Tc superconductors is melted over a significant fraction of the phase diagram. A thermodynamic argument is provided which establishes that the angular dependence of the melting temperature is controlled by the superconducting mass anisotropy. Using a low-frequency torsional-oscillator technique, this relationship has been tested in untwinned single-crystal YBa2Cu3O(7-delta). The results offer decisive support for the melting proposal.

Dynamics of Geometrically Nonlinear Elastic Nonthin Anisotropic Shells of Variable Thickness

NASA Astrophysics Data System (ADS)

Marchuk, M. V.; Tuchapskii, R. I.

2017-11-01

A theory of dynamic elastic geometrically nonlinear deformation of nonthin anisotropic shells with variable thickness is constructed. Shells are assumed asymmetric about the reference surface. Functions are expanded into Legendre series. The basic equations are written in a coordinate system aligned with the lines of curvature of the reference surface. The equations of motion and appropriate boundary conditions are obtained using the Hamilton-Ostrogradsky variational principle. The change in metric across the thickness is taken into account. The theory assumes that the refinement process is regular and allows deriving equations including products of terms of Legendre series of unknown functions of arbitrary order. The behavior of a square metallic plate acted upon by a pressure pulse distributed over its face is studied.

Time evolution of two holes in t - J chains with anisotropic couplings

NASA Astrophysics Data System (ADS)

Manmana, Salvatore R.; Thyen, Holger; Köhler, Thomas; Kramer, Stephan C.

Using time-dependent Matrix Product State (MPS) methods we study the real-time evolution of hole-excitations in t-J chains close to filling n = 1 . The dynamics in 'standard' t - J chains with SU(2) invariant spin couplings is compared to the one when introducing anisotropic, XXZ-type spin interactions as realizable, e.g., by ultracold polar molecules on optical lattices. The simulations are performed with MPS implementations based on the usual singular value decompositions (SVD) as well as ones using the adaptive cross approximation (ACA) instead. The ACA can be seen as an iterative approach to SVD which is often used, e.g., in the context of finite-element-methods, leading to a substantial speedup. A comparison of the performance of both algorithms in the MPS context is discussed. Financial support via DFG through CRC 1073 (''Atomic scale control of energy conversion''), project B03 is gratefully acknowledged.

Anisotropic lattice compression of α- and β-CePdZn

NASA Astrophysics Data System (ADS)

Oomi, Gendo; Eto, Tetsujiro; Okada, Taku; Uwatoko, Yoshiya

2018-05-01

The lattice constants of ZrNiAl type α-CePdZn and TiNiSi type β-CePdZn were measured at high pressure up to 14 GPa at room temperature using X-ray diffraction (XRD) and a diamond anvil cell. The pressure dependence of lattice constants and volume of α-CePdZn were found to be smooth without any discontinuity, and having a bulk modulus, B0, and its pressure derivative, B0‧, of 67 GPa and 5.1, respectively. On the other hand, the a and b axes as well as volume of β-CePdZn were found to show anomalous pressure dependence at around 8 GPa. B0 and B0‧ of β-CePdZn were 90 GPa and 2.1, respectively. These results suggest that a crossover in the electronic states is induced by applying pressure to β-CePdZn. The origins of these anomalous behaviors are discussed in connection with crossover and change in the topology of Fermi surface.

Electron and lattice dynamics of transition metal thin films observed by ultrafast electron diffraction and transient optical measurements.

PubMed

Nakamura, A; Shimojima, T; Nakano, M; Iwasa, Y; Ishizaka, K

2016-11-01

We report the ultrafast dynamics of electrons and lattice in transition metal thin films (Au, Cu, and Mo) investigated by a combination of ultrafast electron diffraction (UED) and pump-probe optical methods. For a single-crystalline Au thin film, we observe the suppression of the diffraction intensity occuring in 10 ps, which direcly reflects the lattice thermalization via the electron-phonon interaction. By using the two-temperature model, the electron-phonon coupling constant ( g ) and the electron and lattice temperatures ( T e , T l ) are evaluated from UED, with which we simulate the transient optical transmittance. The simulation well agrees with the experimentally obtained transmittance data, except for the slight deviations at the initial photoexcitation and the relaxed quasi-equilibrium state. We also present the results similarly obtained for polycrystalline Au, Cu, and Mo thin films and demonstrate the electron and lattice dynamics occurring in metals with different electron-phonon coupling strengths.

Fast optimization of binary clusters using a novel dynamic lattice searching method.

PubMed

Wu, Xia; Cheng, Wen

2014-09-28

Global optimization of binary clusters has been a difficult task despite of much effort and many efficient methods. Directing toward two types of elements (i.e., homotop problem) in binary clusters, two classes of virtual dynamic lattices are constructed and a modified dynamic lattice searching (DLS) method, i.e., binary DLS (BDLS) method, is developed. However, it was found that the BDLS can only be utilized for the optimization of binary clusters with small sizes because homotop problem is hard to be solved without atomic exchange operation. Therefore, the iterated local search (ILS) method is adopted to solve homotop problem and an efficient method based on the BDLS method and ILS, named as BDLS-ILS, is presented for global optimization of binary clusters. In order to assess the efficiency of the proposed method, binary Lennard-Jones clusters with up to 100 atoms are investigated. Results show that the method is proved to be efficient. Furthermore, the BDLS-ILS method is also adopted to study the geometrical structures of (AuPd)79 clusters with DFT-fit parameters of Gupta potential.

What is the Brillouin zone of an anisotropic photonic crystal?

NASA Astrophysics Data System (ADS)

Sivarajah, P.; Maznev, A. A.; Ofori-Okai, B. K.; Nelson, K. A.

2016-02-01

The concept of the Brillouin zone (BZ) in relation to a photonic crystal fabricated in an optically anisotropic material is explored both experimentally and theoretically. In experiment we used femtosecond laser pulses to excite THz polaritons and image their propagation in lithium niobate and lithium tantalate photonic crystal (PhC) slabs. We directly measured the dispersion relation inside PhCs and observed that the lowest band gap expected to form at the BZ boundary forms inside the BZ in the anisotropic lithium niobate PhC. Our analysis shows that in an anisotropic material the BZ—defined as the Wigner-Seitz cell in the reciprocal lattice—is no longer bounded by Bragg planes and thus does not conform to the original definition of the BZ by Brillouin. We construct an alternative Brillouin zone defined by Bragg planes and show its utility in identifying features of the dispersion bands. We show that for an anisotropic two-dimensional PhC without dispersion, the Bragg plane BZ can be constructed by applying the Wigner-Seitz method to a stretched or compressed reciprocal lattice. We also show that in the presence of the dispersion in the underlying material or in a slab waveguide, the Bragg planes are generally represented by curved surfaces rather than planes. The concept of constructing a BZ with Bragg planes should prove useful in understanding the formation of dispersion bands in anisotropic PhCs and in selectively tailoring their optical properties.

Integrated digital inverters based on two-dimensional anisotropic ReS₂ field-effect transistors

DOE PAGES

Liu, Erfu; Fu, Yajun; Wang, Yaojia; ...

2015-05-07

Semiconducting two-dimensional transition metal dichalcogenides are emerging as top candidates for post-silicon electronics. While most of them exhibit isotropic behaviour, lowering the lattice symmetry could induce anisotropic properties, which are both scientifically interesting and potentially useful. Here we present atomically thin rhenium disulfide (ReS₂) flakes with unique distorted 1T structure, which exhibit in-plane anisotropic properties. We fabricated monolayer and few-layer ReS₂ field-effect transistors, which exhibit competitive performance with large current on/off ratios (~10⁷) and low subthreshold swings (100 mV per decade). The observed anisotropic ratio along two principle axes reaches 3.1, which is the highest among all known two-dimensional semiconductingmore » materials. Furthermore, we successfully demonstrated an integrated digital inverter with good performance by utilizing two ReS₂ anisotropic field-effect transistors, suggesting the promising implementation of large-scale two-dimensional logic circuits. Our results underscore the unique properties of two-dimensional semiconducting materials with low crystal symmetry for future electronic applications.« less

The dynamics of nucleation and growth of a particle in the ternary alloy melt with anisotropic surface tension.

PubMed

Chen, Ming-Wen; Li, Lin-Yan; Guo, Hui-Min

2017-08-28

The dynamics of nucleation and growth of a particle affected by anisotropic surface tension in the ternary alloy melt is studied. The uniformly valid asymptotic solution for temperature field, concentration field, and interface evolution of nucleation and particle growth is obtained by means of the multiple variable expansion method. The asymptotic solution reveals the critical radius of nucleation in the ternary alloy melt and an inward melting mechanism of the particle induced by the anisotropic effect of surface tension. The critical radius of nucleation is dependent on isotropic surface tension, temperature undercooling, and constitutional undercooling in the ternary alloy melt, and the solute diffusion melt decreases the critical radius of nucleation. Immediately after a nucleus forms in the initial stage of solidification, the anisotropic effect of surface tension makes some parts of its interface grow inward while some parts grow outward. Until the inward melting attains a certain distance (which is defined as "the melting depth"), these parts of interface start to grow outward with other parts. The interface of the particle evolves into an ear-like deformation, whose inner diameter may be less than two times the critical radius of nucleation within a short time in the initial stage of solidification. The solute diffusion in the ternary alloy melt decreases the effect of anisotropic surface tension on the interface deformation.

A computer-assisted study of pulse dynamics in anisotropic media

NASA Astrophysics Data System (ADS)

Krishnan, J.; Engelborghs, K.; Bär, M.; Lust, K.; Roose, D.; Kevrekidis, I. G.

2001-06-01

This study focuses on the computer-assisted stability analysis of travelling pulse-like structures in spatially periodic heterogeneous reaction-diffusion media. The physical motivation comes from pulse propagation in thin annular domains on a diffusionally anisotropic catalytic surface. The study was performed by computing the travelling pulse-like structures as limit cycles of the spatially discretized PDE, which in turn is performed in two ways: a Newton method based on a pseudospectral discretization of the PDE, and a Newton-Picard method based on a finite difference discretization. Details about the spectra of these modulated pulse-like structures are discussed, including how they may be compared with the spectra of pulses in homogeneous media. The effects of anisotropy on the dynamics of pulses and pulse pairs are studied. Beyond shifting the location of bifurcations present in homogeneous media, anisotropy can also introduce certain new instabilities.

Dynamics of the Spin Liquid Phase of Cs2CuCl4

NASA Astrophysics Data System (ADS)

Ma, Ookie; Vachon, Marc-Andre; Mitrovi{Ć}, Vesna F.; Marston, Brad

2008-03-01

The dynamics of a spin-liquid phase of an antiferromagnet on the anisotropic triangular lattice and in a magnetic field are studied with a combination of Gutzwiller-projected wavefunctions and mean-field theory. Candidate ground states that support fermionic gapless spinon excitations include four different U(1) spin liquidsootnotetextY. Zhou, X. G. Wen, cond-mat/0210662 (2003).. The lattice and the states interpolate between limiting cases of 1D decoupled chains (J/J^' = 0) and the isotropic 2D square lattice (J/J^'= ∞). Parameters of the mean field theory are chosen to minimize the ground state energy of the corresponding Gutzwiller-projected wavefunction. The spin-lattice relaxation rate 1/T1, calculated within the mean-field approximation, is compared to NMR measurementsootnotetextM. A. Vachon, O. Ma, J. B. Marston, V. F. Mitrovi'c, unpublished (2007). in the spin liquid phase of Cs2CuCl4ootnotetextY. Tokiwa, T. Radu, R. Coldea, H. Wilhelm, Z. Tylczynski, F. Steglich, PRB 73, 134414 (2006)..

Hidden symmetries of the extended Kitaev-Heisenberg model: Implications for the honeycomb-lattice iridates A2IrO3

NASA Astrophysics Data System (ADS)

Chaloupka, Jiří; Khaliullin, Giniyat

2015-07-01

We have explored the hidden symmetries of a generic four-parameter nearest-neighbor spin model, allowed in honeycomb-lattice compounds under trigonal compression. Our method utilizes a systematic algorithm to identify all dual transformations of the model that map the Hamiltonian on itself, changing the parameters and providing exact links between different points in its parameter space. We have found the complete set of points of hidden SU(2) symmetry at which a seemingly highly anisotropic model can be mapped back on the Heisenberg model and inherits therefore its properties such as the presence of gapless Goldstone modes. The procedure used to search for the hidden symmetries is quite general and may be extended to other bond-anisotropic spin models and other lattices, such as the triangular, kagome, hyperhoneycomb, or harmonic-honeycomb lattices. We apply our findings to the honeycomb-lattice iridates Na2IrO3 and Li2IrO3 , and illustrate how they help to identify plausible values of the model parameters that are compatible with the available experimental data.

APS-U LATTICE DESIGN FOR OFF-AXIS ACCUMULATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Yipeng; Borland, M.; Lindberg, R.

2017-06-25

A 67-pm hybrid-seven-bend achromat (H7BA) lattice is being proposed for a future Advanced Photon Source (APS) multi-bend-achromat (MBA) upgrade project. This lattice design pushes for smaller emittance and requires use of a swap-out (on-axis) injection scheme due to limited dynamic acceptance. Alternate lattice design work has also been performed for the APS upgrade to achieve better beam dynamics performance than the nominal APS MBA lattice, in order to allow off-axis accumulation. Two such alternate H7BA lattice designs, which target a still-low emittance of 90 pm, are discussed in detail in this paper. Although the single-particle-dynamics performance is good, simulations ofmore » collective effects indicate that surprising difficulty would be expected accumulating high single-bunch charge in this lattice. The brightness of the 90-pm lattice is also a factor of two lower than the 67-pm H7BA lattice.« less

Melting of anisotropic colloidal crystals in two dimensions

NASA Astrophysics Data System (ADS)

Eisenmann, C.; Keim, P.; Gasser, U.; Maret, G.

2004-09-01

The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order.

Superfluid in a shaken optical lattice: quantum critical dynamics and topological defect engineering

NASA Astrophysics Data System (ADS)

Gaj, Anita; Feng, Lei; Clark, Logan W.; Chin, Cheng

2017-04-01

We present our recent studies of non-equilibrium dynamics in Bose-Einstein condensates using the shaken optical lattice. By increasing the shaking amplitude we observe a quantum phase transition from an ordinary superfluid to an effectively ferromagnetic superfluid composed of discrete domains with different quasi-momentum. We investigate the critical dynamics during which the domain structure and domain walls emerge. We demonstrate the use of a digital micromirror device to deterministically create desired domain structure. Using this technique we develop a clearer picture of the quantum critical dynamics at early times and its impact on the domain structure long after the transition.

Control dynamics of interaction quenched ultracold bosons in periodically driven lattices

NASA Astrophysics Data System (ADS)

Mistakidis, Simeon; Schmelcher, Peter; Group of Fundamental Processes in Quantum Physics Team

2016-05-01

The out-of-equilibrium dynamics of ultracold bosons following an interaction quench upon a periodically driven optical lattice is investigated. It is shown that an interaction quench triggers the inter-well tunneling dynamics, while for the intra-well dynamics breathing and cradle-like processes can be generated. In particular, the occurrence of a resonance between the cradle and tunneling modes is revealed. On the other hand, the employed periodic driving enforces the bosons in the mirror wells to oscillate out-of-phase and to exhibit a dipole mode, while in the central well the cloud experiences a breathing mode. The dynamical behaviour of the system is investigated with respect to the driving frequency revealing a resonant behaviour of the intra-well dynamics. To drive the system in a highly non-equilibrium state an interaction quench upon the driving is performed giving rise to admixtures of excitations in the outer wells, an enhanced breathing in the center and an amplification of the tunneling dynamics. As a result of the quench the system experiences multiple resonances between the inter- and intra-well dynamics at different quench amplitudes. Deutsche Forschungsgemeinschaft, SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

Energetic and dynamical instability of spin-orbit coupled Bose-Einstein condensate in a deep optical lattice

NASA Astrophysics Data System (ADS)

Yu, Zi-Fa; Chai, Xu-Dan; Xue, Ju-Kui

2018-05-01

We investigate the energetic and dynamical instability of spin-orbit coupled Bose-Einstein condensate in a deep optical lattice via a tight-binding model. The stability phase diagram is completely revealed in full parameter space, while the dependence of superfluidity on the dispersion relation is illustrated explicitly. In the absence of spin-orbit coupling, the superfluidity only exists in the center of the Brillouin zone. However, the combination of spin-orbit coupling, Zeeman field, nonlinearity and optical lattice potential can modify the dispersion relation of the system, and change the position of Brillouin zone for generating the superfluidity. Thus, the superfluidity can appear in either the center or the other position of the Brillouin zone. Namely, in the center of the Brillouin zone, the system is either superfluid or Landau unstable, which depends on the momentum of the lowest energy. Therefore, the superfluidity can occur at optional position of the Brillouin zone by elaborating spin-orbit coupling, Zeeman splitting, nonlinearity and optical lattice potential. For the linear case, the system is always dynamically stable, however, the nonlinearity can induce the dynamical instability, and also expand the superfluid region. These predicted results can provide a theoretical evidence for exploring the superfluidity of the system experimentally.

Jets in a strongly coupled anisotropic plasma

NASA Astrophysics Data System (ADS)

Fadafan, Kazem Bitaghsir; Morad, Razieh

2018-01-01

In this paper, we study the dynamics of the light quark jet moving through the static, strongly coupled N=4, anisotropic plasma with and without charge. The light quark is presented by a 2-parameters point-like initial condition falling string in the context of the AdS/CFT. We calculate the stopping distance of the light quark in the anisotropic medium and compare it with its isotropic value. We study the dependency of the stopping distance to the both string initial conditions and background parameters such as anisotropy parameter or chemical potential. Although the typical behavior of the string in the anisotropic medium is similar to the one in the isotropic AdS-Sch background, the string falls faster to the horizon depending on the direction of moving. Particularly, the enhancement of quenching is larger in the beam direction. We find that the suppression of stopping distance is more prominent when the anisotropic plasma have the same temperature as the isotropic plasma.

The anisotropic Wilson gauge action

NASA Astrophysics Data System (ADS)

Klassen, Timothy R.

1998-11-01

Anisotropic lattices, with a temporal lattice spacing smaller than the spatial one, allow precision Monte Carlo calculations of problems that are difficult to study otherwise: heavy quarks, glueballs, hybrids, and high temperature thermodynamics, for example. We here perform the first step required for such studies with the (quenched) Wilson gauge action, namely, the determination of the renormalized anisotropy Ξ as a function of the bare anisotropy Ξ0 and the coupling. By, essentially, comparing the finite-volume heavy quark potential where the quarks are separated along a spatial direction with that where they are separated along the time direction, we determine the relation between Ξ and Ξ0 to a fraction of 1% for weak and to 1% for strong coupling. We present a simple parameterization of this relation for 1 ⩽ Ξ ⩽ 6 and 5.5 ⩽ β ⩽ ∞, which incorporates the known one-loop result and reproduces our non-perturbative determinations within errors. Besides solving the problem of how to choose the bare anisotropies if one wants to take the continuum limit at fixed renormalized anisotropy, this parameterization also yields accurate estimates of the derivative {∂Ξ 0}/{∂Ξ} needed in thermodynamic studies.

Two fluid anisotropic dark energy models in a scale invariant theory

NASA Astrophysics Data System (ADS)

Tripathy, S. K.; Mishra, B.; Sahoo, P. K.

2017-09-01

Some anisotropic Bianchi V dark energy models are investigated in a scale invariant theory of gravity. We consider two non-interacting fluids such as dark energy and a bulk viscous fluid. Dark energy pressure is considered to be anisotropic in different spatial directions. A dynamically evolving pressure anisotropy is obtained from the models. The models favour phantom behaviour. It is observed that, in presence of dark energy, bulk viscosity has no appreciable effect on the cosmic dynamics.

Integrated digital inverters based on two-dimensional anisotropic ReS2 field-effect transistors

PubMed Central

Liu, Erfu; Fu, Yajun; Wang, Yaojia; Feng, Yanqing; Liu, Huimei; Wan, Xiangang; Zhou, Wei; Wang, Baigeng; Shao, Lubin; Ho, Ching-Hwa; Huang, Ying-Sheng; Cao, Zhengyi; Wang, Laiguo; Li, Aidong; Zeng, Junwen; Song, Fengqi; Wang, Xinran; Shi, Yi; Yuan, Hongtao; Hwang, Harold Y.; Cui, Yi; Miao, Feng; Xing, Dingyu

2015-01-01

Semiconducting two-dimensional transition metal dichalcogenides are emerging as top candidates for post-silicon electronics. While most of them exhibit isotropic behaviour, lowering the lattice symmetry could induce anisotropic properties, which are both scientifically interesting and potentially useful. Here we present atomically thin rhenium disulfide (ReS2) flakes with unique distorted 1T structure, which exhibit in-plane anisotropic properties. We fabricated monolayer and few-layer ReS2 field-effect transistors, which exhibit competitive performance with large current on/off ratios (∼107) and low subthreshold swings (100 mV per decade). The observed anisotropic ratio along two principle axes reaches 3.1, which is the highest among all known two-dimensional semiconducting materials. Furthermore, we successfully demonstrated an integrated digital inverter with good performance by utilizing two ReS2 anisotropic field-effect transistors, suggesting the promising implementation of large-scale two-dimensional logic circuits. Our results underscore the unique properties of two-dimensional semiconducting materials with low crystal symmetry for future electronic applications. PMID:25947630

Anisotropic Nanomechanics of Boron Nitride Nanotubes: Nanostructured "Skin" Effect

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Menon, Madhu; Cho, KyeongJae

2000-01-01

The stiffness and plasticity of boron nitride nanotubes are investigated using generalized tight-binding molecular dynamics and ab-initio total energy methods. Due to boron-nitride BN bond buckling effects, compressed zigzag BN nanotubes are found to undergo novel anisotropic strain release followed by anisotropic plastic buckling. The strain is preferentially released towards N atoms in the rotated BN bonds. The tubes buckle anisotropically towards only one end when uniaxially compressed from both. A "skin-effect" model of smart nanocomposite materials is proposed which will localize the structural damage towards the 'skin' or surface side of the material.

Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

NASA Astrophysics Data System (ADS)

Kantian, A.; Langer, S.; Daley, A. J.

2018-02-01

We show how experimentally available bilayer lattice systems can be used to prepare quantum many-body states with exceptionally low entropy in one layer, by dynamically disentangling the two layers. This disentangling operation moves one layer—subsystem A —into a regime where excitations in A develop a single-particle gap. As a result, this operation maps directly to cooling for subsystem A , with entropy being shuttled to the other layer. For both bosonic and fermionic atoms, we study the corresponding dynamics showing that disentangling can be realized cleanly in ongoing experiments. The corresponding entanglement entropies are directly measurable with quantum gas microscopes, and, as a tool for producing lower-entropy states, this technique opens a range of applications beginning with simplifying production of magnetically ordered states of bosons and fermions.

Evidence for a bound H dibaryon from lattice QCD.

PubMed

Beane, S R; Chang, E; Detmold, W; Joo, B; Lin, H W; Luu, T C; Orginos, K; Parreño, A; Savage, M J; Torok, A; Walker-Loud, A

2011-04-22

We present evidence for the existence of a bound H dibaryon, an I=0, J=0, s=-2 state with valence quark structure uuddss, at a pion mass of m(π)∼389  MeV. Using the results of lattice QCD calculations performed on four ensembles of anisotropic clover gauge-field configurations, with spatial extents of L∼2.0, 2.5, 3.0, and 3.9 fm at a spatial lattice spacing of b(s)∼0.123  fm, we find an H dibaryon bound by B(∞)(H)=16.6±2.1±4.6  MeV at a pion mass of m(π)∼389  MeV.

Anisotropic hydrodynamics with a scalar collisional kernel

NASA Astrophysics Data System (ADS)

Almaalol, Dekrayat; Strickland, Michael

2018-04-01

Prior studies of nonequilibrium dynamics using anisotropic hydrodynamics have used the relativistic Anderson-Witting scattering kernel or some variant thereof. In this paper, we make the first study of the impact of using a more realistic scattering kernel. For this purpose, we consider a conformal system undergoing transversally homogenous and boost-invariant Bjorken expansion and take the collisional kernel to be given by the leading order 2 ↔2 scattering kernel in scalar λ ϕ4 . We consider both classical and quantum statistics to assess the impact of Bose enhancement on the dynamics. We also determine the anisotropic nonequilibrium attractor of a system subject to this collisional kernel. We find that, when the near-equilibrium relaxation-times in the Anderson-Witting and scalar collisional kernels are matched, the scalar kernel results in a higher degree of momentum-space anisotropy during the system's evolution, given the same initial conditions. Additionally, we find that taking into account Bose enhancement further increases the dynamically generated momentum-space anisotropy.

Anisotropic inflation with derivative couplings

NASA Astrophysics Data System (ADS)

Holland, Jonathan; Kanno, Sugumi; Zavala, Ivonne

2018-05-01

We study anisotropic power-law inflationary solutions when the inflaton and its derivative couple to a vector field. This type of coupling is motivated by D-brane inflationary models, in which the inflaton, and a vector field living on the D-brane, couple disformally (derivatively). We start by studying a phenomenological model where we show the existence of anisotropic solutions and demonstrate their stability via a dynamical system analysis. Compared to the case without a derivative coupling, the anisotropy is reduced and thus can be made consistent with current limits, while the value of the slow-roll parameter remains almost unchanged. We also discuss solutions for more general cases, including D-brane-like couplings.

Lattice dynamics and lattice thermal conductivity of thorium dicarbide

NASA Astrophysics Data System (ADS)

Liao, Zongmeng; Huai, Ping; Qiu, Wujie; Ke, Xuezhi; Zhang, Wenqing; Zhu, Zhiyuan

2014-11-01

The elastic and thermodynamic properties of ThC2 with a monoclinic symmetry have been studied by means of density functional theory and direct force-constant method. The calculated properties including the thermal expansion, the heat capacity and the elastic constants are in a good agreement with experiment. Our results show that the vibrational property of the C2 dimer in ThC2 is similar to that of a free standing C2 dimer. This indicates that the C2 dimer in ThC2 is not strongly bonded to Th atoms. The lattice thermal conductivity for ThC2 was calculated by means of the Debye-Callaway model. As a comparison, the conductivity of ThC was also calculated. Our results show that the ThC and ThC2 contributions of the lattice thermal conductivity to the total conductivity are 29% and 17%, respectively.

Neutron diffraction measurements and micromechanical modelling of temperature-dependent variations in TATB lattice parameters

DOE PAGES

Yeager, John D.; Luscher, Darby J.; Vogel, Sven C.; ...

2016-02-02

Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion (“ratchet growth”) when thermally cycled. A theoretical understanding of the relationship between anisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-based PBXs under various thermal environments. In this work, TATB lattice parameters were measured using neutron diffraction during thermal cycling of loose powder and a pressed pellet. The measured lattice parameters help clarify conflicting reports in the literaturemore » as these new results are more consistent with one set of previous results than another. The lattice parameters of pressed TATB were also measured as a function of temperature, showing some differences from the powder. This data is used along with anisotropic single-crystal stiffness moduli reported in the literature to model the nominal stresses associated with intergranular constraints during thermal expansion. The texture of both specimens were characterized and the pressed pellet exhibits preferential orientation of (001) poles along the pressing direction, whereas no preferred orientation was found for the loose powder. Lastly, thermal strains for single-crystal TATB computed from lattice parameter data for the powder is input to a self-consistent micromechanical model, which predicts the lattice parameters of the constrained TATB crystals within the pellet. The agreement of these model results with the diffraction data obtained from the pellet is discussed along with future directions of research.« less

Ordering of anisotropic nanoparticles in diblock copolymer lamellae: Simulations with dissipative particle dynamics and a molecular theory.

PubMed

Berezkin, Anatoly V; Kudryavtsev, Yaroslav V; Gorkunov, Maxim V; Osipov, Mikhail A

2017-04-14

Local distribution and orientation of anisotropic nanoparticles in microphase-separated symmetric diblock copolymers has been simulated using dissipative particle dynamics and analyzed with a molecular theory. It has been demonstrated that nanoparticles are characterized by a non-trivial orientational ordering in the lamellar phase due to their anisotropic interactions with isotropic monomer units. In the simulations, the maximum concentration and degree of ordering are attained for non-selective nanorods near the domain boundary. In this case, the nanorods have a certain tendency to align parallel to the interface in the boundary region and perpendicular to it inside the domains. Similar orientation ordering of nanoparticles located at the lamellar interface is predicted by the molecular theory which takes into account that the nanoparticles interact with monomer units via both isotropic and anisotropic potentials. Computer simulations enable one to study the effects of the nanorod concentration, length, stiffness, and selectivity of their interactions with the copolymer components on the phase stability and orientational order of nanoparticles. If the volume fraction of the nanorods is lower than 0.1, they have no effect on the copolymer transition from the disordered state into a lamellar microstructure. Increasing nanorod concentration or nanorod length results in clustering of the nanorods and eventually leads to a macrophase separation, whereas the copolymer preserves its lamellar morphology. Segregated nanorods of length close to the width of the diblock copolymer domains are stacked side by side into smectic layers that fill the domain space. Thus, spontaneous organization and orientation of nanorods leads to a spatial modulation of anisotropic composite properties which may be important for various applications.

Ordering of anisotropic nanoparticles in diblock copolymer lamellae: Simulations with dissipative particle dynamics and a molecular theory

NASA Astrophysics Data System (ADS)

Berezkin, Anatoly V.; Kudryavtsev, Yaroslav V.; Gorkunov, Maxim V.; Osipov, Mikhail A.

2017-04-01

Local distribution and orientation of anisotropic nanoparticles in microphase-separated symmetric diblock copolymers has been simulated using dissipative particle dynamics and analyzed with a molecular theory. It has been demonstrated that nanoparticles are characterized by a non-trivial orientational ordering in the lamellar phase due to their anisotropic interactions with isotropic monomer units. In the simulations, the maximum concentration and degree of ordering are attained for non-selective nanorods near the domain boundary. In this case, the nanorods have a certain tendency to align parallel to the interface in the boundary region and perpendicular to it inside the domains. Similar orientation ordering of nanoparticles located at the lamellar interface is predicted by the molecular theory which takes into account that the nanoparticles interact with monomer units via both isotropic and anisotropic potentials. Computer simulations enable one to study the effects of the nanorod concentration, length, stiffness, and selectivity of their interactions with the copolymer components on the phase stability and orientational order of nanoparticles. If the volume fraction of the nanorods is lower than 0.1, they have no effect on the copolymer transition from the disordered state into a lamellar microstructure. Increasing nanorod concentration or nanorod length results in clustering of the nanorods and eventually leads to a macrophase separation, whereas the copolymer preserves its lamellar morphology. Segregated nanorods of length close to the width of the diblock copolymer domains are stacked side by side into smectic layers that fill the domain space. Thus, spontaneous organization and orientation of nanorods leads to a spatial modulation of anisotropic composite properties which may be important for various applications.

Anisotropic Constitutive Relationships in Energetic Materials: Nitromethane and Rdx

NASA Astrophysics Data System (ADS)

Oleynik, I. I.; Conroy, M.; White, C. T.

2007-12-01

The anisotropic constitutive relationships in solid nitromethane (NM) and α-RDX were studied using first-principles density functional theory (DFT). In addition to hydrostatic compressions, we performed uniaxial compressions in the [100], [010], [001], [110], [101], [011], and [111] directions up to the compression ratio V/V0 = 0.70. Equilibrium properties, including lattice parameters and elastic constants, as well as hydrostatic EOS, are in good agreement with available experimental data. The shear stresses of uniaxially compressed NM and α-RDX were used to predict the relative shock sensitivity between different crystallographic directions.

Lattice constants of pure methane and carbon dioxide hydrates at low temperatures. Implementing quantum corrections to classical molecular dynamics studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costandy, Joseph; Michalis, Vasileios K.; Economou, Ioannis G., E-mail: i.tsimpanogiannis@qatar.tamu.edu, E-mail: ioannis.economou@qatar.tamu.edu

2016-03-28

We introduce a simple correction to the calculation of the lattice constants of fully occupied structure sI methane or carbon dioxide pure hydrates that are obtained from classical molecular dynamics simulations using the TIP4PQ/2005 water force field. The obtained corrected lattice constants are subsequently used in order to obtain isobaric thermal expansion coefficients of the pure gas hydrates that exhibit a trend that is significantly closer to the experimental behavior than previously reported classical molecular dynamics studies.

Charge-lattice interplay in layered cobaltates RBaCo2O5+x

NASA Astrophysics Data System (ADS)

Lavrov, A. N.; Kameneva, M. Yu.; Kozeeva, L. P.; Zhdanov, K. R.

2017-10-01

X-ray diffraction, electrical resistivity and thermal expansion measurements are used to study the interrelation between the structural, magnetic and electron-transport peculiarities in RBaCo2O5+x (R=Y, Gd) over a wide range of oxygen contents. We find that the anisotropic lattice strain caused by the oxygen chain ordering in these compounds favors the metallic state and is a necessary condition for the coupled insulator-to-metal and spin-state phase transitions to occur. The obtained data point to the key role of the crystal lattice in selecting the preferred spin and orbital states of cobalt ions.

Structure and lattice dynamics of the wide band gap semiconductors MgSiN2 and MgGeN2

NASA Astrophysics Data System (ADS)

Râsander, M.; Quirk, J. B.; Wang, T.; Mathew, S.; Davies, R.; Palgrave, R. G.; Moram, M. A.

2017-08-01

We have determined the structural and lattice dynamical properties of the orthorhombic, wide band gap semiconductors MgSiN2 and MgGeN2 using density functional theory. In addition, we present the structural properties and Raman spectra of MgSiN2 powder. The structural properties and lattice dynamics of the orthorhombic systems are compared to those of wurtzite AlN. We find clear differences in the lattice dynamics between MgSiN2, MgGeN2 and AlN, for example, we find that the highest phonon frequency in MgSiN2 is about 100 cm-1 higher than the highest frequency in AlN, and that MgGeN2 is much softer. We also provide the Born effective charge tensors and dielectric tensors of MgSiN2, MgGeN2 and AlN. Phonon related thermodynamic properties, such as the heat capacity and the entropy, have also been evaluated and are found to be in very good agreement with available experimental results.

Melting of genomic DNA: Predictive modeling by nonlinear lattice dynamics

NASA Astrophysics Data System (ADS)

Theodorakopoulos, Nikos

2010-08-01

The melting behavior of long, heterogeneous DNA chains is examined within the framework of the nonlinear lattice dynamics based Peyrard-Bishop-Dauxois (PBD) model. Data for the pBR322 plasmid and the complete T7 phage have been used to obtain model fits and determine parameter dependence on salt content. Melting curves predicted for the complete fd phage and the Y1 and Y2 fragments of the ϕX174 phage without any adjustable parameters are in good agreement with experiment. The calculated probabilities for single base-pair opening are consistent with values obtained from imino proton exchange experiments.

Three-dimensional interaction and movements of various dislocations in anisotropic bicrystals with semicoherent interfaces

NASA Astrophysics Data System (ADS)

Vattré, A.; Pan, E.

2018-07-01

Lattice dislocation interactions with semicoherent interfaces are investigated by means of anisotropic field solutions in metallic homo- and hetero-structures. The present framework is based on the mathematically elegant and computationally powerful Stroh formalism, combining further with the Fourier integral and series transforms, which cover different shapes and dimensions of various extrinsic and intrinsic dislocations. Two-dimensional equi-spaced arrays of straight lattice dislocations and finite arrangements of piled-up dislocations as well as any polygonal and elliptical dislocation loops in three dimensions are considered using a superposition scheme. Self, image and Peach-Koehler forces are derived to compute the equilibrium dislocation positions in pile-ups, including the internal structures and energetics of the interfacial dislocation networks. For illustration, the effects due to the elastic and misfit mismatches are discussed in the pure misfit Au/Cu and heterophase Cu/Nb systems, while discrepancies resulting from the approximation of isotropic elasticity are clearly exhibited. These numerical examples not only feature and enhance the existing works in anisotropic bimaterials, but also promote a novel opportunity of analyzing the equilibrium shapes of planar glide dislocation loops at nanoscale.

Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering.

PubMed

Williams, G Jackson; Lee, Sooheyong; Walko, Donald A; Watson, Michael A; Jo, Wonhuyk; Lee, Dong Ryeol; Landahl, Eric C

2016-12-22

Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of the crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.

Modeling Geodynamic Mobility of Anisotropic Lithosphere

NASA Astrophysics Data System (ADS)

Perry-Houts, J.; Karlstrom, L.

2016-12-01

The lithosphere is often idealized as a linear, or plastic layer overlying a Newtonian half-space. This approach has led to many insights into lithospheric foundering that include Rayligh-Taylor drips, slab-style delaminations, and small scale convection in the asthenosphere. More recent work has begun to quantify the effect of anisotropic lithosphere viscosity on these same phenomena. Anisotropic viscosity may come about due to stratigraphic deposition in the upper crust, dike/sill emplacement in the mid crust, or volcanic underplating at the Moho related to arcs or plumes. Anisotropic viscosity is also observed in the mantle, due to preferential orientation of olivine grains during flow. Here we extend the work of Lev & Hager (2008) on modeling anisotropic lithospheric foundering to investigate the effects of anisotropic regions which vary in size, magnitude, and orientation. We have extended Aspect, a modern geodynamic finite element code with a large developer and user base, to model exotic constitutive laws with an arbitrary fourth order tensor in place of the viscosity term. We further implement a material model to represent a transverse isotropic medium, such as is expected in a layered, or fractured lithosphere. We have validated our implementation against previous results, and analytic solutions, reproducing the result that horizontally oriented anisotropy tends to inhibit drips, and produce longer-wavelength instabilities. We expect that increased lateral extent of anisotropic regions will exaggerate this effect, to a limit at which the effect will plateau. Varying lithosphere thickness, and mantle anisotropy anisotropy may produce similar behavior. The implications of this effect are significant to lithospheric foundering beneath arcs and hotspots, possibly influencing the recycling of eclogite, production of silicic magmas, and dynamic topography.

Light-driven dynamic Archimedes spirals and periodic oscillatory patterns of topological solitons in anisotropic soft matter

DOE PAGES

Martinez, Angel; Smalyukh, Ivan I.

2015-02-12

Oscillatory and excitable systems very commonly exhibit formation of dynamic non-equilibrium patterns. For example, rotating spiral patterns are observed in biological, chemical, and physical systems ranging from organization of slime mold cells to Belousov-Zhabotinsky reactions, and to crystal growth from nuclei with screw dislocations. Here we describe spontaneous formation of spiral waves and a large variety of other dynamic patterns in anisotropic soft matter driven by low-intensity light. The unstructured ambient or microscope light illumination of thin liquid crystal films in contact with a self-assembled azobenzene monolayer causes spontaneous formation, rich spatial organization, and dynamics of twisted domains and topologicalmore » solitons accompanied by the dynamic patterning of azobenzene group orientations within the monolayer. Linearly polarized incident light interacts with the twisted liquid crystalline domains, mimicking their dynamics and yielding patterns in the polarization state of transmitted light, which can be transformed to similar dynamic patterns in its intensity and interference color. This shows that the delicate light-soft-matter interaction can yield complex self-patterning of both. Finally, we uncover underpinning physical mechanisms and discuss potential uses.« less

Plastic deformation treated as material flow through adjustable crystal lattice

NASA Astrophysics Data System (ADS)

Minakowski, P.; Hron, J.; Kratochvíl, J.; Kružík, M.; Málek, J.

2014-08-01

Looking at severe plastic deformation experiments, it seems that crystalline materials at yield behave as a special kind of anisotropic, highly viscous fluids flowing through an adjustable crystal lattice space. High viscosity provides a possibility to describe the flow as a quasi-static process, where inertial and other body forces can be neglected. The flow through the lattice space is restricted to preferred crystallographic planes and directions causing anisotropy. In the deformation process the lattice is strained and rotated. The proposed model is based on the rate form of the decomposition rule: the velocity gradient consists of the lattice velocity gradient and the sum of the velocity gradients corresponding to the slip rates of individual slip systems. The proposed crystal plasticity model allowing for large deformations is treated as the flow-adjusted boundary value problem. As a test example we analyze a plastic flow of an single crystal compressed in a channel die. We propose three step algorithm of finite element discretization for a numerical solution in the Arbitrary Lagrangian Eulerian (ALE) configuration.

Dynamics of wave packets in two-dimensional random systems with anisotropic disorder.

PubMed

Samelsohn, Gregory; Gruzdev, Eugene

2008-09-01

A theoretical model is proposed to describe narrowband pulse dynamics in two-dimensional systems with arbitrary correlated disorder. In anisotropic systems with elongated cigarlike inhomogeneities, fast propagation is predicted in the direction across the structure where the wave is exponentially localized and tunneling of evanescent modes plays a dominant role in typical realizations. Along the structure, where the wave is channeled as in a waveguide, the motion of the wave energy is relatively slow. Numerical simulations performed for ultra-wide-band pulses show that even at the initial stage of wave evolution, the radiation diffuses predominantly in the direction along the major axis of the correlation ellipse. Spectral analysis of the results relates the long tail of the wave observed in the transverse direction to a number of frequency domain "lucky shots" associated with the long-living resonant modes localized inside the sample.

Quantum measurement-induced dynamics of many-body ultracold bosonic and fermionic systems in optical lattices

NASA Astrophysics Data System (ADS)

Mazzucchi, Gabriel; Kozlowski, Wojciech; Caballero-Benitez, Santiago F.; Elliott, Thomas J.; Mekhov, Igor B.

2016-02-01

Trapping ultracold atoms in optical lattices enabled numerous breakthroughs uniting several disciplines. Coupling these systems to quantized light leads to a plethora of new phenomena and has opened up a new field of study. Here we introduce an unusual additional source of competition in a many-body strongly correlated system: We prove that quantum backaction of global measurement is able to efficiently compete with intrinsic short-range dynamics of an atomic system. The competition becomes possible due to the ability to change the spatial profile of a global measurement at a microscopic scale comparable to the lattice period without the need of single site addressing. In coherence with a general physical concept, where new competitions typically lead to new phenomena, we demonstrate nontrivial dynamical effects such as large-scale multimode oscillations, long-range entanglement, and correlated tunneling, as well as selective suppression and enhancement of dynamical processes beyond the projective limit of the quantum Zeno effect. We demonstrate both the breakup and protection of strongly interacting fermion pairs by measurement. Such a quantum optical approach introduces into many-body physics novel processes, objects, and methods of quantum engineering, including the design of many-body entangled environments for open systems.

Lattice dynamics in magnetic superelastic Ni-Mn-In alloys. Neutron scattering and ultrasonic experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moya, Xavier; Gonzalez-Alonso, David; Manosa, Lluis

2009-01-01

Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to Ni50Mn34In16 magnetic superelastic composition. The paper reports the experimental determination of the low-lying phonon dispersion curves and the elastic constants for this alloy system. We found that the frequencies of the TA2 branch are relatively low and it exhibits a small dip anomaly at a wave number n= 1/3, which softens with decreasing temperature. Associated with the softening of this phonon, we also observed the softening of the shear elastic constant C0 = (C11 C12)=2. Both temperaturemore » softenings are typical for bcc based solids which undergo martensitic transformations and re ect the dynamical instability of the cubic lattice against shearing of f110g planes along h1 10i directions. Additionally, we measured low-lying phonon dispersion branches and elastic constants in applied magnetic fields aimed to characterize the magnetoelastic coupling.« less

van der Waals three-body force shell model (VTSM) for the lattice dynamical studies of thallous bromide

NASA Astrophysics Data System (ADS)

Tiwari, Sarvesh K.; Pandey, L. K.; Shukla, Lal Ji; Upadhyaya, K. S.

2009-12-01

The van der Waals three-body force shell model (VTSM) has been developed by modifying the three-body force shell model (TSM) for the lattice dynamics of ionic crystals with cesium chloride (CsCl) structure. This new model incorporates van der Waals interactions along with long-range Coulomb interactions, three-body interactions and short-range second neighbour interactions in the framework of a rigid shell model (RSM). In the present paper, VTSM has been used to study the lattice dynamics of thallous bromide (TlBr), from which adequacy of VTSM has been established. A comparative study of the dynamical behaviour of TlBr has also been done between the present model and TSM, the model over which modification has been made to obtain the present model VTSM. Good agreement has been observed between the theoretical and experimental results, which give confidence that it is an appropriate model for the complete description of ionic crystals with CsCl structure.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations.

PubMed

Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Wang, Dayun

2017-08-08

The structural, mechanical, elastic anisotropic, and electronic properties of Pbca -XN (X = C, Si, Ge) are investigated in this work using the Perdew-Burke-Ernzerhof (PBE) functional, Perdew-Burke-Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA-PZ) functional in the framework of density functional theory. The achieved results for the lattice parameters and band gap of Pbca -CN with the PBE functional in this research are in good accordance with other theoretical results. The band structures of Pbca -XN (X = C, Si, Ge) show that Pbca -SiN and Pbca -GeN are both direct band gap semiconductor materials with a band gap of 3.39 eV and 2.22 eV, respectively. Pbca -XN (X = C, Si, Ge) exhibits varying degrees of mechanical anisotropic properties with respect to the Poisson's ratio, bulk modulus, shear modulus, Young's modulus, and universal anisotropic index. The (001) plane and (010) plane of Pbca -CN/SiN/GeN both exhibit greater elastic anisotropy in the bulk modulus and Young's modulus than the (100) plane.

Anisotropic attosecond charge carrier dynamics and layer decoupling in quasi-2D layered SnS 2

DOE PAGES

Eads, Calley N.; Bandak, Dmytro; Neupane, Mahesh R.; ...

2017-11-08

Strong quantum confinement effects lead to striking new physics in two-dimensional materials such as graphene or transition metal dichalcogenides. While spectroscopic fingerprints of such quantum confinement have been demonstrated widely, the consequences for carrier dynamics are at present less clear, particularly on ultrafast timescales. This is important for tailoring, probing, and understanding spin and electron dynamics in layered and two-dimensional materials even in cases where the desired bandgap engineering has been achieved. Here in this paper we show by means of core–hole clock spectroscopy that SnS 2 exhibits spindependent attosecond charge delocalization times (τ deloc) for carriers confined within amore » layer, τ deloc < 400 as, whereas interlayer charge delocalization is dynamically quenched in excess of a factor of 10, τ deloc > 2.7 fs. These layer decoupling dynamics are a direct consequence of strongly anisotropic screening established within attoseconds, and demonstrate that important two-dimensional characteristics are also present in bulk crystals of van der Waalslayered materials, at least on ultrafast timescales.« less

Anisotropic cosmological solutions in R + R^2 gravity

NASA Astrophysics Data System (ADS)

Müller, Daniel; Ricciardone, Angelo; Starobinsky, Alexei A.; Toporensky, Aleksey

2018-04-01

In this paper we investigate the past evolution of an anisotropic Bianchi I universe in R+R^2 gravity. Using the dynamical system approach we show that there exists a new two-parameter set of solutions that includes both an isotropic "false radiation" solution and an anisotropic generalized Kasner solution, which is stable. We derive the analytic behavior of the shear from a specific property of f( R) gravity and the analytic asymptotic form of the Ricci scalar when approaching the initial singularity. Finally, we numerically check our results.

Possible extinction of Berezinskii-Kosterlitz-Thouless transition by diagonal interactions in the checkerboard lattice

NASA Astrophysics Data System (ADS)

Lopes, R. J. C.; Moura, A. R.

2018-06-01

We study the thermodynamics of the classical anisotropic antiferromagnetic Heisenberg model in a checkerboard lattice. The checkerboard lattice is distinguished from the antiferromagnetic square lattice (with coupling constant J) by the presence of a diagonal crossing (coupling constant J‧) in half of the sites. This lattice model is the direct analog of the three-dimensional pyrochlore lattice on a two-dimensional surface. Besides, we considered a single-ion anisotropy D that breaks the O (3) symmetry and contributes to planar spin fields. Since the model is two-dimensional endowed with an O (2) symmetry, a Berezinskii-Kosterlitz-Thouless (BKT) transition is expected to take place. We also investigated the BKT temperature as a function of the coupling constants J‧ and D. The problem is developed through a continuous representation given by the O (3) Nonlinear Sigma Model (NLSM). Computer simulations were also carried out, and the results were in accordance with the analytical model.

Quenched dynamics and spin-charge separation in an interacting topological lattice

NASA Astrophysics Data System (ADS)

Barbiero, L.; Santos, L.; Goldman, N.

2018-05-01

We analyze the static and dynamical properties of a one-dimensional topological lattice, the fermionic Su-Schrieffer-Heeger model, in the presence of on-site interactions. Based on a study of charge and spin correlation functions, we elucidate the nature of the topological edge modes, which, depending on the sign of the interactions, either display particles of opposite spin on opposite edges, or a pair and a holon. This study of correlation functions also highlights the strong entanglement that exists between the opposite edges of the system. This last feature has remarkable consequences upon subjecting the system to a quench, where an instantaneous edge-to-edge signal appears in the correlation functions characterizing the edge modes. Besides, other correlation functions are shown to propagate in the bulk according to the light cone imposed by the Lieb-Robinson bound. Our study reveals how one-dimensional lattices exhibiting entangled topological edge modes allow for a nontrivial correlation spreading, while providing an accessible platform to detect spin-charge separation using state-of-the-art experimental techniques.

Quantum influence in the criticality of the spin- {1}/{2} anisotropic Heisenberg model

NASA Astrophysics Data System (ADS)

Ricardo de Sousa, J.; Araújo, Ijanílio G.

1999-07-01

We study the spin- {1}/{2} anisotropic Heisenberg antiferromagnetic model using the effective field renormalization group (EFRG) approach. The EFRG method is illustrated by employing approximations in which clusters with one ( N'=1) and two ( N=2) spins are used. The dependence of the critical temperature Tc (ferromagnetic-F case) and TN (antiferromagnetic-AF case) and thermal critical exponent, Yt, are obtained as a function of anisotropy parameter ( Δ) on a simple cubic lattice. We find that, in our results, TN is higher than Tc for the quantum anisotropic Heisenberg limit and TN= Tc for the Ising and quantum XY limits. We have also shown that the thermal critical exponent Yt for the isotropic Heisenberg model shows a small dependence on the type of interaction (F or AF) due to finite size effects.

Mechanical cloak design by direct lattice transformation

PubMed Central

Bückmann, Tiemo; Kadic, Muamer; Schittny, Robert; Wegener, Martin

2015-01-01

Spatial coordinate transformations have helped simplifying mathematical issues and solving complex boundary-value problems in physics for decades already. More recently, material-parameter transformations have also become an intuitive and powerful engineering tool for designing inhomogeneous and anisotropic material distributions that perform wanted functions, e.g., invisibility cloaking. A necessary mathematical prerequisite for this approach to work is that the underlying equations are form invariant with respect to general coordinate transformations. Unfortunately, this condition is not fulfilled in elastic–solid mechanics for materials that can be described by ordinary elasticity tensors. Here, we introduce a different and simpler approach. We directly transform the lattice points of a 2D discrete lattice composed of a single constituent material, while keeping the properties of the elements connecting the lattice points the same. After showing that the approach works in various areas, we focus on elastic–solid mechanics. As a demanding example, we cloak a void in an effective elastic material with respect to static uniaxial compression. Corresponding numerical calculations and experiments on polymer structures made by 3D printing are presented. The cloaking quality is quantified by comparing the average relative SD of the strain vectors outside of the cloaked void with respect to the homogeneous reference lattice. Theory and experiment agree and exhibit very good cloaking performance. PMID:25848021

Study on the Lattice Dynamics of the Argyrodite Ag8GeTe6

NASA Astrophysics Data System (ADS)

Hitchcock, Dale; Thompson, Emily; He, Jian; Bredesen, Isaac; Keppends, Veelre; Mandrus, David

2014-03-01

Ag8GeTe6 was initially studied as a super ionic-electronic mixed conductor in the 1970s, and more recently has attracted new interest for its thermoelectric performance. A key to the desirable thermoelectric performance of Ag8GeTe6 is its exceptionally low lattice thermal conductivity (~ 0.25W/m*K at 300K), which is intimately related to its structure, consecutive structural instabilities, and unusual lattice dynamics (e.g., anharmonicity). In this work, we have studied Ag8GeTe6 by means of thermal conductivity, electrical conductivity, Seebeck coefficient, Hall coefficient, magnetic susceptibility, resonant ultrasound spectroscopy (RUS), photoacoustic spectroscopy, and synchrotron x-ray diffraction at low temperatures in order to further understand the coexistence of mixed conduction and high thermoelectric performance at elevated temperatures. This work is supported by NSF DMR 1307740.

Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering

DOE PAGES

Williams, G. Jackson; Lee, Sooheyong; Walko, Donald A.; ...

2016-12-22

Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of themore » crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.« less

Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, G. Jackson; Lee, Sooheyong; Walko, Donald A.

Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of themore » crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.« less

Nucleon, $$\\Delta$$ and $$\\Omega$$ excited states in $$N_f=2+1$$ lattice QCD

DOE PAGES

John Bulava; Edwards, Robert G.; Engelson, Eric; ...

2010-07-22

The energies of the excited states of the Nucleon,more » $$\\Delta$$ and $$\\Omega$$ are computed in lattice QCD, using two light quarks and one strange quark on anisotropic lattices. The calculation is performed at three values of the light quark mass, corresponding to pion masses $$m_{\\pi}$$ = 392(4), 438(3) and 521(3) MeV. We employ the variational method with a large basis of interpolating operators enabling six energies in each irreducible representation of the lattice to be distinguished clearly. We compare our calculation with the low-lying experimental spectrum, with which we find reasonable agreement in the pattern of states. In addition, the need to include operators that couple to the expected multi-hadron states in the spectrum is clearly identified.« less

Anisotropic ray trace

NASA Astrophysics Data System (ADS)

Lam, Wai Sze Tiffany

Optical components made of anisotropic materials, such as crystal polarizers and crystal waveplates, are widely used in many complex optical system, such as display systems, microlithography, biomedical imaging and many other optical systems, and induce more complex aberrations than optical components made of isotropic materials. The goal of this dissertation is to accurately simulate the performance of optical systems with anisotropic materials using polarization ray trace. This work extends the polarization ray tracing calculus to incorporate ray tracing through anisotropic materials, including uniaxial, biaxial and optically active materials. The 3D polarization ray tracing calculus is an invaluable tool for analyzing polarization properties of an optical system. The 3x3 polarization ray tracing P matrix developed for anisotropic ray trace assists tracking the 3D polarization transformations along a ray path with series of surfaces in an optical system. To better represent the anisotropic light-matter interactions, the definition of the P matrix is generalized to incorporate not only the polarization change at a refraction/reflection interface, but also the induced optical phase accumulation as light propagates through the anisotropic medium. This enables realistic modeling of crystalline polarization elements, such as crystal waveplates and crystal polarizers. The wavefront and polarization aberrations of these anisotropic components are more complex than those of isotropic optical components and can be evaluated from the resultant P matrix for each eigen-wavefront as well as for the overall image. One incident ray refracting or reflecting into an anisotropic medium produces two eigenpolarizations or eigenmodes propagating in different directions. The associated ray parameters of these modes necessary for the anisotropic ray trace are described in Chapter 2. The algorithms to calculate the P matrix from these ray parameters are described in Chapter 3 for

Slow quench dynamics of a one-dimensional Bose gas confined to an optical lattice.

PubMed

Bernier, Jean-Sébastien; Roux, Guillaume; Kollath, Corinna

2011-05-20

We analyze the effect of a linear time variation of the interaction strength on a trapped one-dimensional Bose gas confined to an optical lattice. The evolution of different observables such as the experimentally accessible on site particle distribution are studied as a function of the ramp time by using time-dependent numerical techniques. We find that the dynamics of a trapped system typically displays two regimes: For long ramp times, the dynamics is governed by density redistribution, while at short ramp times, local dynamics dominates as the evolution is identical to that of an homogeneous system. In the homogeneous limit, we also discuss the nontrivial scaling of the energy absorbed with the ramp time.

A technique for individual atom delivery into a crossed vortex bottle beam trap using a dynamic 1D optical lattice.

PubMed

Dinardo, Brad A; Anderson, Dana Z

2016-12-01

We describe a system for loading a single atom from a reservoir into a blue-detuned crossed vortex bottle beam trap using a dynamic 1D optical lattice. The lattice beams are frequency chirped using acousto-optic modulators, which causes the lattice to move along its axial direction and behave like an optical conveyor belt. A stationary lattice is initially loaded with approximately 6000 atoms from a reservoir, and the conveyor belt transports them 1.1 mm from the reservoir to a bottle beam trap, where a single atom is loaded via light-assisted collisions. Photon counting data confirm that an atom can be delivered and loaded into the bottle beam trap 13.1% of the time.

Dynamics of wave packets in two-dimensional random systems with anisotropic disorder

NASA Astrophysics Data System (ADS)

Samelsohn, Gregory; Gruzdev, Eugene

2008-09-01

A theoretical model is proposed to describe narrowband pulse dynamics in two-dimensional systems with arbitrary correlated disorder. In anisotropic systems with elongated cigarlike inhomogeneities, fast propagation is predicted in the direction across the structure where the wave is exponentially localized and tunneling of evanescent modes plays a dominant role in typical realizations. Along the structure, where the wave is channeled as in a waveguide, the motion of the wave energy is relatively slow. Numerical simulations performed for ultra-wide-band pulses show that even at the initial stage of wave evolution, the radiation diffuses predominantly in the direction along the major axis of the correlation ellipse. Spectral analysis of the results relates the long tail of the wave observed in the transverse direction to a number of frequency domain “lucky shots” associated with the long-living resonant modes localized inside the sample.

The Design, Synthesis, and Study of Solid-State Molecular Rotors: Structure/Function Relationships for Condensed-Phase Anisotropic Dynamics

NASA Astrophysics Data System (ADS)

Vogelsberg, Cortnie Sue

Amphidynamic crystals are an extremely promising platform for the development of artificial molecular machines and stimuli-responsive materials. In analogy to skeletal muscle, their function will rely upon the collective operation of many densely packed molecular machines (i.e. actin-bound myosin) that are self-assembled in a highly organized anisotropic medium. By choosing lattice-forming elements and moving "parts" with specific functionalities, individual molecular machines may be synthesized and self-assembled in order to carry out desirable functions. In recent years, efforts in the design of amphidynamic materials based on molecular gyroscopes and compasses have shown that a certain amount of free volume is essential to facilitate internal rotation and reorientation within a crystal. In order to further establish structure/function relationships to advance the development of increasingly complex molecular machinery, molecular rotors and a molecular "spinning" top were synthesized and incorporated into a variety of solid-state architectures with different degrees of periodicity, dimensionality, and free volume. Specifically, lamellar molecular crystals, hierarchically ordered periodic mesoporous organosilicas, and metal-organic frameworks were targeted for the development of solid-state molecular machines. Using an array of solid-state nuclear magnetic resonance spectroscopy techniques, the dynamic properties of these novel molecular machine assemblies were determined and correlated with their corresponding structural features. It was found that architecture type has a profound influence on functional dynamics. The study of layered molecular crystals, composed of either molecular rotors or "spinning" tops, probed functional dynamics within dense, highly organized environments. From their study, it was discovered that: 1) crystallographically distinct sites may be utilized to differentiate machine function, 2) halogen bonding interactions are sufficiently

A hybrid-stress finite element approach for stress and vibration analysis in linear anisotropic elasticity

NASA Technical Reports Server (NTRS)

Oden, J. Tinsley; Fly, Gerald W.; Mahadevan, L.

1987-01-01

A hybrid stress finite element method is developed for accurate stress and vibration analysis of problems in linear anisotropic elasticity. A modified form of the Hellinger-Reissner principle is formulated for dynamic analysis and an algorithm for the determination of the anisotropic elastic and compliance constants from experimental data is developed. These schemes were implemented in a finite element program for static and dynamic analysis of linear anisotropic two dimensional elasticity problems. Specific numerical examples are considered to verify the accuracy of the hybrid stress approach and compare it with that of the standard displacement method, especially for highly anisotropic materials. It is that the hybrid stress approach gives much better results than the displacement method. Preliminary work on extensions of this method to three dimensional elasticity is discussed, and the stress shape functions necessary for this extension are included.

Lattice Boltzmann simulations of liquid crystal particulate flow in a channel with finite anchoring boundary conditions

NASA Astrophysics Data System (ADS)

Zhang, Rui; Roberts, Tyler; de Pablo, Juan; dePablo Team

2014-11-01

Liquid crystals (LC) posses anisotropic viscoelastic properties, and, as such, LC flow can be incredibly complicated. Here we employ a hybrid lattice Boltzmann method (pioneered by Deniston, Yeomans and Cates) to systematically study the hydrodynamics of nematic liquid crystals (LCs) with and without solid particles. This method evolves the velocity field through lattice Boltzmann and the LC-order parameter via a finite-difference solver of the Beris-Edwards equation. The evolution equation of the boundary points with finite anchoring is obtained through Poisson bracket formulation. Our method has been validated by matching the Ericksen-Leslie theory. We demonstrate two applications in the flow alignment regime. We first investigate a hybrid channel flow in which the top and bottom walls have different anchoring directions. By measuring the apparent shear viscosity in terms of Couette flow, we achieve a viscosity inhomogeneous system which may be applicable to nano particle processing. In the other example, we introduce a homeotropic spherical particle to the channel, and focus on the deformations of the defect ring due to anchorings and flow. The results are then compared to the molecular dynamics simulations of a colloid particle in an LC modeled by a Gay-Berne potential.

Holographic anisotropic background with confinement-deconfinement phase transition

NASA Astrophysics Data System (ADS)

Aref'eva, Irina; Rannu, Kristina

2018-05-01

We present new anisotropic black brane solutions in 5D Einstein-dilaton-two-Maxwell system. The anisotropic background is specified by an arbitrary dynamical exponent ν, a nontrivial warp factor, a non-zero dilaton field, a non-zero time component of the first Maxwell field and a non-zero longitudinal magnetic component of the second Maxwell field. The blackening function supports the Van der Waals-like phase transition between small and large black holes for a suitable first Maxwell field charge. The isotropic case corresponding to ν = 1 and zero magnetic field reproduces previously known solutions. We investigate the anisotropy influence on the thermodynamic properties of our background, in particular, on the small/large black holes phase transition diagram. We discuss applications of the model to the bottom-up holographic QCD. The RG flow interpolates between the UV section with two suppressed transversal coordinates and the IR section with the suppressed time and longitudinal coordinates due to anisotropic character of our solution. We study the temporal Wilson loops, extended in longitudinal and transversal directions, by calculating the minimal surfaces of the corresponding probing open string world-sheet in anisotropic backgrounds with various temperatures and chemical potentials. We find that dynamical wall locations depend on the orientation of the quark pairs, that gives a crossover transition line between confinement/deconfinement phases in the dual gauge theory. Instability of the background leads to the appearance of the critical points ( μ ϑ,b , T ϑ,b ) depending on the orientation ϑ of quark-antiquark pairs in respect to the heavy ions collision line.

Lattice Boltzmann simulations of multiple-droplet interaction dynamics.

PubMed

Zhou, Wenchao; Loney, Drew; Fedorov, Andrei G; Degertekin, F Levent; Rosen, David W

2014-03-01

A lattice Boltzmann (LB) formulation, which is consistent with the phase-field model for two-phase incompressible fluid, is proposed to model the interface dynamics of droplet impingement. The interparticle force is derived by comparing the macroscopic transport equations recovered from LB equations with the governing equations of the continuous phase-field model. The inconsistency between the existing LB implementations and the phase-field model in calculating the relaxation time at the phase interface is identified and an approximation is proposed to ensure the consistency with the phase-field model. It is also shown that the commonly used equilibrium velocity boundary for the binary fluid LB scheme does not conserve momentum at the wall boundary and a modified scheme is developed to ensure the momentum conservation at the boundary. In addition, a geometric formulation of the wetting boundary condition is proposed to replace the popular surface energy formulation and results show that the geometric approach enforces the prescribed contact angle better than the surface energy formulation in both static and dynamic wetting. The proposed LB formulation is applied to simulating droplet impingement dynamics in three dimensions and results are compared to those obtained with the continuous phase-field model, the LB simulations reported in the literature, and experimental data from the literature. The results show that the proposed LB simulation approach yields not only a significant speed improvement over the phase-field model in simulating droplet impingement dynamics on a submillimeter length scale, but also better accuracy than both the phase-field model and the previously reported LB techniques when compared to experimental data. Upon validation, the proposed LB modeling methodology is applied to the study of multiple-droplet impingement and interactions in three dimensions, which demonstrates its powerful capability of simulating extremely complex interface

Local structure in anisotropic systems determined by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Komolkin, Andrei V.; Maliniak, Arnold

In the present communication we describe the investigation of local structure using a new visualization technique. The approach is based on two-dimensional pair correlation functions derived from a molecular dynamics computer simulation. We have used this method to analyse a trajectory produced in a simulation of a nematic liquid crystal of 4-n-pentyl-4'-cyanobiphenyl (5CB) (Komolkin et al., 1994, J. chem. Phys., 101, 4103). The molecule is assumed to have cylindrical symmetry, and the liquid crystalline phase is treated as uniaxial. The pair correlation functions or cylindrical distribution functions (CDFs) are calculated in the molecular (m) and laboratory (l) frames, gm2(z1 2, d1 2) and g12(Z1 2, D1 2). Anisotropic molecular organization in the liquid crystal is reflected in laboratory frame CDFs. The molecular excluded volume is determined and the effect of the fast motion in the alkyl chain is observed. The intramolecular distributions are included in the CDFs and indicate the size of the motional amplitude in the chain. Absence of long range order was confirmed, a feature typical for a nematic liquid crystal.

Anisotropic rheology of a polycrystalline aggregate and convection in planetary mantles

NASA Astrophysics Data System (ADS)

Pouilloux, L. S.; Labrosse, S.; Kaminski, E.

2011-12-01

Observations of seismic anisotropy in the Earth mantle is often related to the crystal preferred orientation of polycrystalline aggregates. In this case, the physical properties depends on the direction and require the use of tensors to be fully described. In particular, the viscosity must be defined as a fourth order tensor whereas the thermal conductivity is a 2nd order tensor. However, the dynamical implications of such physical properties have received little attention until now. In this work, we present the mathematical formulation for an anisotropic medium and the relationship with dislocation creep deformation. We explore extensively the problem of the onset of Rayleigh-Bénard convection with such anisotropic properties. We finally presents some numerical results on the time-dependent problem using an orthotropic law for an ice polycrystal. Geophysical implications of this work related to the dynamics of planetary mantles are discussed, especially the potential of anisotropic rheology to localize deformation.

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

NASA Astrophysics Data System (ADS)

Mozafari, Elham; Alling, Björn; Belov, Maxim P.; Abrikosov, Igor A.

2018-01-01

Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structure. In addition, we study its lattice dynamics. We verify the reliability of our theoretical scheme via comparison of our results with available experiment and earlier theoretical studies carried out within static approximations. We present the phonon dispersion relations for the paramagnetic rock-salt (B1) phase of NiO and demonstrate that it is dynamically stable. We observe that including the magnetic disorder to simulate the paramagnetic phase has a small yet visible effect on the band gap. The amplitude of the local magnetic moment of Ni ions from our calculations for both antiferromagnetic and paramagnetic phases agree well with other theoretical and experimental values. We demonstrate that the increase of temperature up to 1000 K does not affect the electronic structure strongly. Taking into account the lattice vibrations and thermal expansion at higher temperatures have a major impact on the electronic structure, reducing the band gap from ˜3.5 eV at 600 K to ˜2.5 eV at 2000 K. We conclude that static lattice approximations can be safely employed in simulations of the paramagnetic state of NiO up to relatively high temperatures (˜1000 K), but as we get closer to the melting temperature vibrational effects become quite large and therefore should be included in the calculations.

Phase diagram and high degeneracy points for generic anisotropic exchange on the garnet lattice

NASA Astrophysics Data System (ADS)

Andreanov, Alexei; McClarty, Paul

Garnet magnets with chemical formula RE3Ga5O12 where RE is a rare earth ion have properties that are determined by a combination of geometrical frustration and strong spin-orbit coupling. The former arises from the RE structure which consists of two interpenetrating hyperkagome lattices while the latter leads, in general, to an anisotropy in the magnetic exchange. We systematically explore and describe the full phase diagram for the case of all nearest-neighbor interactions compatible with lattice symmetries and consider the role of fluctuations and further neighbor couplings around high degeneracy points in the phase diagram. AA was supported by Project Code(IBS-R024-D1).

Critical behavior of the quantum spin- {1}/{2} anisotropic Heisenberg model

NASA Astrophysics Data System (ADS)

Sousa, J. Ricardo de

A two-step renormalization group approach - a decimation followed by an effective field renormalization group (EFRG) - is proposed in this work to study the critical behavior of the quantum spin- {1}/{2} anisotropic Heisenberg model. The new method is illustrated by employing approximations in which clusters with one, two and three spins are used. The values of the critical parameter and critical exponent, in two- and three-dimensional lattices, for the Ising and isotropic Heisenberg limits are calculated and compared with other renormalization group approaches and exact (or series) results.

Analytical methods for describing charged particle dynamics in general focusing lattices using generalized Courant-Snyder theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qin, Hong; Davidson, Ronald C.; Burby, Joshua W.

2014-04-08

The dynamics of charged particles in general linear focusing lattices with quadrupole, skew-quadrupole, dipole, and solenoidal components, as well as torsion of the fiducial orbit and variation of beam energy is parametrized using a generalized Courant-Snyder (CS) theory, which extends the original CS theory for one degree of freedom to higher dimensions. The envelope function is generalized into an envelope matrix, and the phase advance is generalized into a 4D symplectic rotation, or a Uð2Þ element. The 1D envelope equation, also known as the Ermakov-Milne-Pinney equation in quantum mechanics, is generalized to an envelope matrix equation in higher dimensions. Othermore » components of the original CS theory, such as the transfer matrix, Twiss functions, and CS invariant (also known as the Lewis invariant) all have their counterparts, with remarkably similar expressions, in the generalized theory. The gauge group structure of the generalized theory is analyzed. By fixing the gauge freedom with a desired symmetry, the generalized CS parametrization assumes the form of the modified Iwasawa decomposition, whose importance in phase space optics and phase space quantum mechanics has been recently realized. This gauge fixing also symmetrizes the generalized envelope equation and expresses the theory using only the generalized Twiss function β. The generalized phase advance completely determines the spectral and structural stability properties of a general focusing lattice. For structural stability, the generalized CS theory enables application of the Krein-Moser theory to greatly simplify the stability analysis. The generalized CS theory provides an effective tool to study coupled dynamics and to discover more optimized lattice designs in the larger parameter space of general focusing lattices.« less

Anisotropic cosmological solutions in massive vector theories

NASA Astrophysics Data System (ADS)

Heisenberg, Lavinia; Kase, Ryotaro; Tsujikawa, Shinji

2016-11-01

In beyond-generalized Proca theories including the extension to theories higher than second order, we study the role of a spatial component v of a massive vector field on the anisotropic cosmological background. We show that, as in the case of the isotropic cosmological background, there is no additional ghostly degrees of freedom associated with the Ostrogradski instability. In second-order generalized Proca theories we find the existence of anisotropic solutions on which the ratio between the anisotropic expansion rate Σ and the isotropic expansion rate H remains nearly constant in the radiation-dominated epoch. In the regime where Σ/H is constant, the spatial vector component v works as a dark radiation with the equation of state close to 1/3. During the matter era, the ratio Σ/H decreases with the decrease of v. As long as the conditions |Σ| ll H and v2 ll phi2 are satisfied around the onset of late-time cosmic acceleration, where phi is the temporal vector component, we find that the solutions approach the isotropic de Sitter fixed point (Σ = 0 = v) in accordance with the cosmic no-hair conjecture. In the presence of v and Σ the early evolution of the dark energy equation of state wDE in the radiation era is different from that in the isotropic case, but the approach to the isotropic value wDE(iso) typically occurs at redshifts z much larger than 1. Thus, apart from the existence of dark radiation, the anisotropic cosmological dynamics at low redshifts is similar to that in isotropic generalized Proca theories. In beyond-generalized Proca theories the only consistent solution to avoid the divergence of a determinant of the dynamical system corresponds to v = 0, so Σ always decreases in time.

Anisotropic cosmological solutions in massive vector theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heisenberg, Lavinia; Kase, Ryotaro; Tsujikawa, Shinji, E-mail: Lavinia.heisenberg@googlemail.com, E-mail: r.kase@rs.tus.ac.jp, E-mail: shinji@rs.kagu.tus.ac.jp

In beyond-generalized Proca theories including the extension to theories higher than second order, we study the role of a spatial component v of a massive vector field on the anisotropic cosmological background. We show that, as in the case of the isotropic cosmological background, there is no additional ghostly degrees of freedom associated with the Ostrogradski instability. In second-order generalized Proca theories we find the existence of anisotropic solutions on which the ratio between the anisotropic expansion rate Σ and the isotropic expansion rate H remains nearly constant in the radiation-dominated epoch. In the regime where Σ/ H is constant,more » the spatial vector component v works as a dark radiation with the equation of state close to 1/3. During the matter era, the ratio Σ/ H decreases with the decrease of v . As long as the conditions |Σ| || H and v {sup 2} || φ{sup 2} are satisfied around the onset of late-time cosmic acceleration, where φ is the temporal vector component, we find that the solutions approach the isotropic de Sitter fixed point (Σ = 0 = v ) in accordance with the cosmic no-hair conjecture. In the presence of v and Σ the early evolution of the dark energy equation of state w {sub DE} in the radiation era is different from that in the isotropic case, but the approach to the isotropic value w {sub DE}{sup (iso)} typically occurs at redshifts z much larger than 1. Thus, apart from the existence of dark radiation, the anisotropic cosmological dynamics at low redshifts is similar to that in isotropic generalized Proca theories. In beyond-generalized Proca theories the only consistent solution to avoid the divergence of a determinant of the dynamical system corresponds to v = 0, so Σ always decreases in time.« less

Anisotropic nanocrystalline MnBi with high coercivity at high temperature

NASA Astrophysics Data System (ADS)

Yang, J. B.; Yang, Y. B.; Chen, X. G.; Ma, X. B.; Han, J. Z.; Yang, Y. C.; Guo, S.; Yan, A. R.; Huang, Q. Z.; Wu, M. M.; Chen, D. F.

2011-08-01

Magnetic hard nanocrystalline MnBi has been prepared by melt spinning and subsequent low temperature annealing. A coercivity of 2.5 T can be achieved at 540 K for MnBi with an average grain size of about 20-30 nm. The coercivity iHc, mainly controlled by the coherent magnetization rotation, shows a strong dependence on the time of grinding and exhibits a positive temperature coefficient from 100 up to 540 K. The unique temperature dependent behavior of the coercivity (magnetocrystalline anisotropy) has a relationship with the variations in the crystal lattice ratio of c/a with temperatures. In addition, discontinuity can not be found in the lattice parameters of a, c, and c/a ratio at the magnetostructural transition temperature. The nanocrystalline MnBi powder fixed in an epoxy resin and under an applied magnetic field of 24 kOe shows a maximum energy product of 7.1 MGOe at room temperature and shows anisotropic characteristics with high Mr/Ms ratio up to 560 K.

Ising antiferromagnet on the Archimedean lattices.

PubMed

Yu, Unjong

2015-06-01

Geometric frustration effects were studied systematically with the Ising antiferromagnet on the 11 Archimedean lattices using the Monte Carlo methods. The Wang-Landau algorithm for static properties (specific heat and residual entropy) and the Metropolis algorithm for a freezing order parameter were adopted. The exact residual entropy was also found. Based on the degree of frustration and dynamic properties, ground states of them were determined. The Shastry-Sutherland lattice and the trellis lattice are weakly frustrated and have two- and one-dimensional long-range-ordered ground states, respectively. The bounce, maple-leaf, and star lattices have the spin ice phase. The spin liquid phase appears in the triangular and kagome lattices.

Ising antiferromagnet on the Archimedean lattices

NASA Astrophysics Data System (ADS)

Yu, Unjong

2015-06-01

Geometric frustration effects were studied systematically with the Ising antiferromagnet on the 11 Archimedean lattices using the Monte Carlo methods. The Wang-Landau algorithm for static properties (specific heat and residual entropy) and the Metropolis algorithm for a freezing order parameter were adopted. The exact residual entropy was also found. Based on the degree of frustration and dynamic properties, ground states of them were determined. The Shastry-Sutherland lattice and the trellis lattice are weakly frustrated and have two- and one-dimensional long-range-ordered ground states, respectively. The bounce, maple-leaf, and star lattices have the spin ice phase. The spin liquid phase appears in the triangular and kagome lattices.

Lattice Waves, Spin Waves, and Neutron Scattering

DOE R&D Accomplishments Database

Brockhouse, Bertram N.

1962-03-01

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

Exotic and excited-state radiative transitions in charmonium from lattice QCD

DOE PAGES

Dudek, Jozef J.; Edwards, Robert G.; Thomas, Christopher E.

2009-05-01

We compute, for the first time using lattice QCD methods, radiative transition rates involving excited charmonium states, states of high spin and exotics. Utilizing a large basis of interpolating fields we are able to project out various excited state contributions to three-point correlators computed on quenched anisotropic lattices. In the first lattice QCD calculation of the exoticmore » $$1^{-+}$$ $$\\eta_{c1}$$ radiative decay, we find a large partial width $$\\Gamma(\\eta_{c1} \\to J/\\psi \\gamma) \\sim 100 \\,\\mathrm{keV}$$. We find clear signals for electric dipole and magnetic quadrupole transition form factors in $$\\chi_{c2} \\to J/\\psi \\gamma$$, calculated for the first time in this framework, and study transitions involving excited $$\\psi$$ and $$\\chi_{c1,2}$$ states. We calculate hindered magnetic dipole transition widths without the sensitivity to assumptions made in model studies and find statistically significant signals, including a non-exotic vector hybrid candidate $Y_{\\mathrm{hyb?}} \\to \\et« less

Critical behavior of the anisotropic Heisenberg model by effective-field renormalization group

NASA Astrophysics Data System (ADS)

de Sousa, J. Ricardo; Fittipaldi, I. P.

1994-05-01

A real-space effective-field renormalization-group method (ERFG) recently derived for computing critical properties of Ising spins is extended to treat the quantum spin-1/2 anisotropic Heisenberg model. The formalism is based on a generalized but approximate Callen-Suzuki spin relation and utilizes a convenient differential operator expansion technique. The method is illustrated in several lattice structures by employing its simplest approximation version in which clusters with one (N'=1) and two (N=2) spins are used. The results are compared with those obtained from the standard mean-field (MFRG) and Migdal-Kadanoff (MKRG) renormalization-group treatments and it is shown that this technique leads to rather accurate results. It is shown that, in contrast with the MFRG and MKRG predictions, the EFRG, besides correctly distinguishing the geometries of different lattice structures, also provides a vanishing critical temperature for all two-dimensional lattices in the isotropic Heisenberg limit. For the simple cubic lattice, the dependence of the transition temperature Tc with the exchange anisotropy parameter Δ [i.e., Tc(Δ)], and the resulting value for the critical thermal crossover exponent φ [i.e., Tc≂Tc(0)+AΔ1/φ ] are in quite good agreement with results available in the literature in which more sophisticated treatments are used.

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential.

PubMed

Chen, Wenduo; Zhu, Youliang; Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

2016-01-01

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures.

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

PubMed Central

2017-01-01

A combined experimental and theoretical approach, consisting of lattice phonon Raman spectroscopy and density functional theory (DFT) calculations, is proposed as a tool for lattice dynamics characterization and polymorph phase identification. To illustrate the reliability of the method, the lattice phonon Raman spectra of two polymorphs of the molecule 2,7-dioctyloxy[1]benzothieno[3,2-b]benzothiophene are investigated. We show that DFT calculations of the lattice vibrations based on the known crystal structures, including many-body dispersion van der Waals (MBD-vdW) corrections, predict experimental data within an accuracy of ≪5 cm–1 (≪0.6 meV). Due to the high accuracy of the simulations, they can be used to unambiguously identify different polymorphs and to characterize the nature of the lattice vibrations and their relationship to the structural properties. More generally, this work implies that DFT-MBD-vdW is a promising method to describe also other physical properties that depend on lattice dynamics like charge transport. PMID:28731723

Observation of a commensurate array of flux chains in tilted flux lattices in Bi-Sr-Ca-Cu-O single crystals

NASA Astrophysics Data System (ADS)

Bolle, C. A.; Gammel, P. L.; Grier, D. G.; Murray, C. A.; Bishop, D. J.; Mitzi, D. B.; Kapitulnik, A.

1991-01-01

We report the observation of a novel flux-lattice structure, a commensurate array of flux-line chains. Our experiments consist of the magnetic decoration of the flux lattices in single crystals of Ba-Sr-Ca-Cu-O where the magnetic field is applied at an angle with respect to the conducting planes. For a narrow range of angles, the equilibrium structure is one with uniformly spaced chains with a higher line density of vortices than the background lattice. Our observations are in qualitative agreement with theories which suggest that, in strongly anisotropic materials the vortices develop an attractive interaction in tilted magnetic fields.

Rotational Dynamics of Proteins from Spin Relaxation Times and Molecular Dynamics Simulations.

PubMed

Ollila, O H Samuli; Heikkinen, Harri A; Iwaï, Hideo

2018-06-14

Conformational fluctuations and rotational tumbling of proteins can be experimentally accessed with nuclear spin relaxation experiments. However, interpretation of molecular dynamics from the experimental data is often complicated, especially for molecules with anisotropic shape. Here, we apply classical molecular dynamics simulations to interpret the conformational fluctuations and rotational tumbling of proteins with arbitrarily anisotropic shape. The direct calculation of spin relaxation times from simulation data did not reproduce the experimental data. This was successfully corrected by scaling the overall rotational diffusion coefficients around the protein inertia axes with a constant factor. The achieved good agreement with experiments allowed the interpretation of the internal and overall dynamics of proteins with significantly anisotropic shape. The overall rotational diffusion was found to be Brownian, having only a short subdiffusive region below 0.12 ns. The presented methodology can be applied to interpret rotational dynamics and conformation fluctuations of proteins with arbitrary anisotropic shape. However, a water model with more realistic dynamical properties is probably required for intrinsically disordered proteins.

Thermal form-factor approach to dynamical correlation functions of integrable lattice models

NASA Astrophysics Data System (ADS)

Göhmann, Frank; Karbach, Michael; Klümper, Andreas; Kozlowski, Karol K.; Suzuki, Junji

2017-11-01

We propose a method for calculating dynamical correlation functions at finite temperature in integrable lattice models of Yang-Baxter type. The method is based on an expansion of the correlation functions as a series over matrix elements of a time-dependent quantum transfer matrix rather than the Hamiltonian. In the infinite Trotter-number limit the matrix elements become time independent and turn into the thermal form factors studied previously in the context of static correlation functions. We make this explicit with the example of the XXZ model. We show how the form factors can be summed utilizing certain auxiliary functions solving finite sets of nonlinear integral equations. The case of the XX model is worked out in more detail leading to a novel form-factor series representation of the dynamical transverse two-point function.

An anisotropic diffusion method for denoising dynamic susceptibility contrast-enhanced magnetic resonance images

NASA Astrophysics Data System (ADS)

Murase, Kenya; Yamazaki, Youichi; Shinohara, Masaaki; Kawakami, Kazunori; Kikuchi, Keiichi; Miki, Hitoshi; Mochizuki, Teruhito; Ikezoe, Junpei

2001-10-01

The purpose of this study was to present an application of a novel denoising technique for improving the accuracy of cerebral blood flow (CBF) images generated from dynamic susceptibility contrast-enhanced magnetic resonance imaging (DSC-MRI). The method presented in this study was based on anisotropic diffusion (AD). The usefulness of this method was firstly investigated using computer simulations. We applied this method to patient data acquired using a 1.5 T MR system. After a bolus injection of Gd-DTPA, we obtained 40-50 dynamic images with a 1.32-2.08 s time resolution in 4-6 slices. The dynamic images were processed using the AD method, and then the CBF images were generated using pixel-by-pixel deconvolution analysis. For comparison, the CBF images were also generated with or without processing the dynamic images using a median or Gaussian filter. In simulation studies, the standard deviation of the CBF values obtained after processing by the AD method was smaller than that of the CBF values obtained without any processing, while the mean value agreed well with the true CBF value. Although the median and Gaussian filters also reduced image noise, the mean CBF values were considerably underestimated compared with the true values. Clinical studies also suggested that the AD method was capable of reducing the image noise while preserving the quantitative accuracy of CBF images. In conclusion, the AD method appears useful for denoising DSC-MRI, which will make the CBF images generated from DSC-MRI more reliable.

Indirect Fabrication of Lattice Metals with Thin Sections Using Centrifugal Casting.

PubMed

Mun, Jiwon; Ju, Jaehyung; Thurman, James

2016-05-14

One of the typical methods to manufacture 3D lattice metals is the direct-metal additive manufacturing (AM) process such as Selective Laser Melting (SLM) and Electron Beam Melting (EBM). In spite of its potential processing capability, the direct AM method has several disadvantages such as high cost, poor surface finish of final products, limitation in material selection, high thermal stress, and anisotropic properties of parts. We propose a cost-effective method to manufacture 3D lattice metals. The objective of this study is to provide a detailed protocol on fabrication of 3D lattice metals having a complex shape and a thin wall thickness; e.g., octet truss made of Al and Cu alloys having a unit cell length of 5 mm and a cell wall thickness of 0.5 mm. An overall experimental procedure is divided into eight sections: (a) 3D printing of sacrificial patterns (b) melt-out of support materials (c) removal of residue of support materials (d) pattern assembly (e) investment (f) burn-out of sacrificial patterns (g) centrifugal casting (h) post-processing for final products. The suggested indirect AM technique provides the potential to manufacture ultra-lightweight lattice metals; e.g., lattice structures with Al alloys. It appears that the process parameters should be properly controlled depending on materials and lattice geometry, observing the final products of octet truss metals by the indirect AM technique.

Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations

PubMed Central

Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Wang, Dayun

2017-01-01

The structural, mechanical, elastic anisotropic, and electronic properties of Pbca-XN (X = C, Si, Ge) are investigated in this work using the Perdew–Burke–Ernzerhof (PBE) functional, Perdew–Burke–Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA–PZ) functional in the framework of density functional theory. The achieved results for the lattice parameters and band gap of Pbca-CN with the PBE functional in this research are in good accordance with other theoretical results. The band structures of Pbca-XN (X = C, Si, Ge) show that Pbca-SiN and Pbca-GeN are both direct band gap semiconductor materials with a band gap of 3.39 eV and 2.22 eV, respectively. Pbca-XN (X = C, Si, Ge) exhibits varying degrees of mechanical anisotropic properties with respect to the Poisson’s ratio, bulk modulus, shear modulus, Young’s modulus, and universal anisotropic index. The (001) plane and (010) plane of Pbca-CN/SiN/GeN both exhibit greater elastic anisotropy in the bulk modulus and Young’s modulus than the (100) plane. PMID:28786960

Characteristics of subgrid-resolved-scale dynamics in anisotropic turbulence, with application to rough-wall boundary layers

NASA Astrophysics Data System (ADS)

Juneja, Anurag; Brasseur, James G.

1999-10-01

Large-eddy simulation (LES) of the atmospheric boundary layer (ABL) using eddy viscosity subgrid-scale (SGS) models is known to poorly predict mean shear at the first few grid cells near the ground, a rough surface with no viscous sublayer. It has recently been shown that convective motions carry this localized error vertically to infect the entire ABL, and that the error is more a consequence of the SGS model than grid resolution in the near-surface inertial layer. Our goal was to determine what first-order errors in the predicted SGS terms lead to spurious expectation values, and what basic dynamics in the filtered equation for resolved scale (RS) velocity must be captured by SGS models to correct the deficiencies. Our analysis is of general relevance to LES of rough-wall high Reynolds number boundary layers, where the essential difficulty in the closure is the importance of the SGS acceleration terms, a consequence of necessary under-resolution of relevant energy-containing motions at the first few grid levels, leading to potentially strong couplings between the anisotropies in resolved velocity and predicted SGS dynamics. We analyze these two issues (under-resolution and anisotropy) in the absence of a wall using two direct numerical simulation datasets of homogeneous turbulence with very different anisotropic structure characteristic of the near-surface ABL: shear- and buoyancy-generated turbulence. We uncover three important issues which should be addressed in the design of SGS closures near rough walls and we provide a priori tests for the SGS model. First, we identify a strong spurious coupling between the anisotropic structure of the resolved velocity field and predicted SGS dynamics which can create a feedback loop to incorrectly enhance certain components of the predicted velocity field. Second, we find that eddy viscosity and "similarity" SGS models do not contain enough degrees of freedom to capture, at a sufficient level of accuracy, both RS

Radiative Transitions in Charmonium from Lattice QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jozef Dudek; Robert Edwards; David Richards

2006-01-17

Radiative transitions between charmonium states offer an insight into the internal structure of heavy-quark bound states within QCD. We compute, for the first time within lattice QCD, the transition form-factors of various multipolarities between the lightest few charmonium states. In addition, we compute the experimentally unobservable, but physically interesting vector form-factors of the {eta}{sub c}, J/{psi} and {chi}{sub c0}. To this end we apply an ambitious combination of lattice techniques, computing three-point functions with heavy domain wall fermions on an anisotropic lattice within the quenched approximation. With an anisotropy {xi} = 3 at a{sub s} {approx} 0.1 fm we findmore » a reasonable gross spectrum and a hyperfine splitting {approx}90 MeV, which compares favorably with other improved actions. In general, after extrapolation of lattice data at non-zero Q{sup 2} to the photopoint, our results agree within errors with all well measured experimental values. Furthermore, results are compared with the expectations of simple quark models where we find that many features are in agreement; beyond this we propose the possibility of constraining such models using our extracted values of physically unobservable quantities such as the J/{psi} quadrupole moment. We conclude that our methods are successful and propose to apply them to the problem of radiative transitions involving hybrid mesons, with the eventual goal of predicting hybrid meson photoproduction rates at the GlueX experiment.« less

Anisotropic singularities in modified gravity models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Figueiro, Michele Ferraz; Saa, Alberto; Departamento de Matematica Aplicada, IMECC-UNICAMP, C.P. 6065, 13083-859 Campinas, SP

2009-09-15

We show that the common singularities present in generic modified gravity models governed by actions of the type S={integral}d{sup 4}x{radical}(-g)f(R,{phi},X), with X=-(1/2)g{sup ab}{partial_derivative}{sub a}{phi}{partial_derivative}{sub b}{phi}, are essentially the same anisotropic instabilities associated to the hypersurface F({phi})=0 in the case of a nonminimal coupling of the type F({phi})R, enlightening the physical origin of such singularities that typically arise in rather complex and cumbersome inhomogeneous perturbation analyses. We show, moreover, that such anisotropic instabilities typically give rise to dynamically unavoidable singularities, precluding completely the possibility of having physically viable models for which the hypersurface ({partial_derivative}f/{partial_derivative}R)=0 is attained. Some examples are explicitly discussed.

Quantum many-body dynamics of dark solitons in optical lattices

NASA Astrophysics Data System (ADS)

Mishmash, R. V.; Danshita, I.; Clark, Charles W.; Carr, L. D.

2009-11-01

We present a fully quantum many-body treatment of dark solitons formed by ultracold bosonic atoms in one-dimensional optical lattices. Using time-evolving block decimation to simulate the single-band Bose-Hubbard Hamiltonian, we consider the quantum dynamics of density and phase engineered dark solitons as well as the quantum evolution of mean-field dark solitons injected into the quantum model. The former approach directly models how one may create quantum entangled dark solitons in experiment. While we have already presented results regarding the latter approach elsewhere [R. V. Mishmash and L. D. Carr, Phys. Rev. Lett. 103, 140403 (2009)], we expand upon those results in this work. In both cases, quantum fluctuations cause the dark soliton to fill in and may induce an inelasticity in soliton-soliton collisions. Comparisons are made to the Bogoliubov theory which predicts depletion into an anomalous mode that fills in the soliton. Our many-body treatment allows us to go beyond the Bogoliubov approximation and calculate explicitly the dynamics of the system’s natural orbitals.

The microtubule lattice and plus-end association of Drosophila Mini spindles is spatially regulated to fine-tune microtubule dynamics.

PubMed

Currie, Joshua D; Stewman, Shannon; Schimizzi, Gregory; Slep, Kevin C; Ma, Ao; Rogers, Stephen L

2011-11-01

Individual microtubules (MTs) exhibit dynamic instability, a behavior in which they cycle between phases of growth and shrinkage while the total amount of MT polymer remains constant. Dynamic instability is promoted by the conserved XMAP215/Dis1 family of microtubule-associated proteins (MAPs). In this study, we conducted an in vivo structure-function analysis of the Drosophila homologue Mini spindles (Msps). Msps exhibits EB1-dependent and spatially regulated MT localization, targeting to microtubule plus ends in the cell interior and decorating the lattice of growing and shrinking microtubules in the cell periphery. RNA interference rescue experiments revealed that the NH(2)-terminal four TOG domains of Msps function as paired units and were sufficient to promote microtubule dynamics and EB1 comet formation. We also identified TOG5 and novel inter-TOG linker motifs that are required for targeting Msps to the microtubule lattice. These novel microtubule contact sites are necessary for the interplay between the conserved TOG domains and inter-TOG MT binding that underlies the ability of Msps to promote MT dynamic instability.

A Toda lattice model of DNA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christiansen, P.L.; Scott, A.C.; Muto, V.

In recent years the possibility that anharmonic excitations could play a role in the dynamics of SNA has been considered by several authors. It has been suggested that solitons may be generated thermally at biological temperatures. The denaturation of the DNA double helix has been investigated by statistical mechanics methods and by dynamical simulations. Here the potential for the hydrogen bond in each base pair is approximated by a Morse potential. In the present paper we describe the Toda lattice model of DNA. Temperature enters via the initial conditions and through a perturbation of the dynamical equations. The model ismore » refined by introduction of transversal motion of the Toda lattice and by transversal coupling of two lattices in the hydrogen bonds present in the base pairs. Using Lennard-Jones potentials to model these bonds we are able to obtain results concerning the open states of DNA at biological temperatures. 39 refs., 7 figs.« less

Quantitative analysis of tissue deformation dynamics reveals three characteristic growth modes and globally aligned anisotropic tissue deformation during chick limb development.

PubMed

Morishita, Yoshihiro; Kuroiwa, Atsushi; Suzuki, Takayuki

2015-05-01

Tissue-level characterization of deformation dynamics is crucial for understanding organ morphogenetic mechanisms, especially the interhierarchical links among molecular activities, cellular behaviors and tissue/organ morphogenetic processes. Limb development is a well-studied topic in vertebrate organogenesis. Nevertheless, there is still little understanding of tissue-level deformation relative to molecular and cellular dynamics. This is mainly because live recording of detailed cell behaviors in whole tissues is technically difficult. To overcome this limitation, by applying a recently developed Bayesian approach, we here constructed tissue deformation maps for chick limb development with high precision, based on snapshot lineage tracing using dye injection. The precision of the constructed maps was validated with a clear statistical criterion. From the geometrical analysis of the map, we identified three characteristic tissue growth modes in the limb and showed that they are consistent with local growth factor activity and cell cycle length. In particular, we report that SHH signaling activity changes dynamically with developmental stage and strongly correlates with the dynamic shift in the tissue growth mode. We also found anisotropic tissue deformation along the proximal-distal axis. Morphogenetic simulation and experimental studies suggested that this directional tissue elongation, and not local growth, has the greatest impact on limb shaping. This result was supported by the novel finding that anisotropic tissue elongation along the proximal-distal axis occurs independently of cell proliferation. Our study marks a pivotal point for multi-scale system understanding in vertebrate development. © 2015. Published by The Company of Biologists Ltd.

In situ X-ray diffraction measurement of shock-wave-driven twinning and lattice dynamics

NASA Astrophysics Data System (ADS)

Wehrenberg, C. E.; McGonegle, D.; Bolme, C.; Higginbotham, A.; Lazicki, A.; Lee, H. J.; Nagler, B.; Park, H.-S.; Remington, B. A.; Rudd, R. E.; Sliwa, M.; Suggit, M.; Swift, D.; Tavella, F.; Zepeda-Ruiz, L.; Wark, J. S.

2017-10-01

Pressure-driven shock waves in solid materials can cause extreme damage and deformation. Understanding this deformation and the associated defects that are created in the material is crucial in the study of a wide range of phenomena, including planetary formation and asteroid impact sites, the formation of interstellar dust clouds, ballistic penetrators, spacecraft shielding and ductility in high-performance ceramics. At the lattice level, the basic mechanisms of plastic deformation are twinning (whereby crystallites with a mirror-image lattice form) and slip (whereby lattice dislocations are generated and move), but determining which of these mechanisms is active during deformation is challenging. Experiments that characterized lattice defects have typically examined the microstructure of samples after deformation, and so are complicated by post-shock annealing and reverberations. In addition, measurements have been limited to relatively modest pressures (less than 100 gigapascals). In situ X-ray diffraction experiments can provide insights into the dynamic behaviour of materials, but have only recently been applied to plasticity during shock compression and have yet to provide detailed insight into competing deformation mechanisms. Here we present X-ray diffraction experiments with femtosecond resolution that capture in situ, lattice-level information on the microstructural processes that drive shock-wave-driven deformation. To demonstrate this method we shock-compress the body-centred-cubic material tantalum—an important material for high-energy-density physics owing to its high shock impedance and high X-ray opacity. Tantalum is also a material for which previous shock compression simulations and experiments have provided conflicting information about the dominant deformation mechanism. Our experiments reveal twinning and related lattice rotation occurring on the timescale of tens of picoseconds. In addition, despite the common association between twinning

Thermal dynamics on the lattice with exponentially improved accuracy

NASA Astrophysics Data System (ADS)

Pawlowski, Jan M.; Rothkopf, Alexander

2018-03-01

We present a novel simulation prescription for thermal quantum fields on a lattice that operates directly in imaginary frequency space. By distinguishing initial conditions from quantum dynamics it provides access to correlation functions also outside of the conventional Matsubara frequencies ωn = 2 πnT. In particular it resolves their frequency dependence between ω = 0 and ω1 = 2 πT, where the thermal physics ω ∼ T of e.g. transport phenomena is dominantly encoded. Real-time spectral functions are related to these correlators via an integral transform with rational kernel, so that their unfolding from the novel simulation data is exponentially improved compared to standard Euclidean simulations. We demonstrate this improvement within a non-trivial 0 + 1-dimensional quantum mechanical toy-model and show that spectral features inaccessible in standard Euclidean simulations are quantitatively captured.

Effective Simulation Strategy of Multiscale Flows using a Lattice Boltzmann model with a Stretched Lattice

NASA Astrophysics Data System (ADS)

Yahia, Eman; Premnath, Kannan

2017-11-01

Resolving multiscale flow physics (e.g. for boundary layer or mixing layer flows) effectively generally requires the use of different grid resolutions in different coordinate directions. Here, we present a new formulation of a multiple relaxation time (MRT)-lattice Boltzmann (LB) model for anisotropic meshes. It is based on a simpler and more stable non-orthogonal moment basis while the use of MRT introduces additional flexibility, and the model maintains a stream-collide procedure; its second order moment equilibria are augmented with additional velocity gradient terms dependent on grid aspect ratio that fully restores the required isotropy of the transport coefficients of the normal and shear stresses. Furthermore, by introducing additional cubic velocity corrections, it maintains Galilean invariance. The consistency of this stretched lattice based LB scheme with the Navier-Stokes equations is shown via a Chapman-Enskog expansion. Numerical study for a variety of benchmark flow problems demonstrate its ability for accurate and effective simulations at relatively high Reynolds numbers. The MRT-LB scheme is also shown to be more stable compared to prior LB models for rectangular grids, even for grid aspect ratios as small as 0.1 and for Reynolds numbers of 10000.

Anisotropic lattice thermal conductivity in three-fold degeneracy topological semimetal MoP: a first-principles study

NASA Astrophysics Data System (ADS)

Guo, San-Dong

2017-11-01

Recently, three-component new fermions in topological semimetal MoP are experimentally observed (2017 Nature 546 627), which may have potential applications like topological qubits, low-power electronics and spintronics. These are closely related to thermal transport properties of MoP. In this work, the phonon transport of MoP is investigated by solving the linearized phonon Boltzmann equation within the single-mode relaxation time approximation (RTA). The calculated room-temperature lattice thermal conductivity is 18.41 W m-1 K^{-1} and 34.71 W m-1 K^{-1} along the in- and cross-plane directions, exhibiting very strong anisotropy. The isotope and size effects on the lattice thermal conductivity are also considered. It is found that isotope scattering produces little effect, and phonon has little contribution to the lattice thermal conductivity, when phonon mean free path (MFP) is larger than 0.15 μ m at 300 K. It is noted that average room-temperature lattice thermal conductivity of MoP is lower than that of representative Weyl semimetal TaAs, which is due to smaller group velocities and larger Grüneisen parameters. Our works provide valuable informations for the thermal management of MoP-based nano-electronics devices, and motivate further experimental works to study thermal transport of MoP.

Electron spin dynamics and spin–lattice relaxation of trityl radicals in frozen solutions†

PubMed Central

Chen, Hanjiao; Maryasov, Alexander G.; Rogozhnikova, Olga Yu.; Trukhin, Dmitry V.; Tormyshev, Victor M.

2017-01-01

Electron spin–lattice relaxation of two trityl radicals, d24-OX063 and Finland trityl, were studied under conditions relevant to their use in dissolution dynamic nuclear polarization (DNP). The dependence of relaxation kinetics on temperature up to 100 K and on concentration up to 60 mM was obtained at X- and W-bands (0.35 and 3.5 Tesla, respectively). The relaxation is quite similar at both bands and for both trityl radicals. At concentrations typical for DNP, relaxation is mediated by excitation transfer and spin-diffusion to fast-relaxing centers identified as triads of trityl radicals that spontaneously form in the frozen samples. These centers relax by an Orbach–Aminov mechanism and determine the relaxation, saturation and electron spin dynamics during DNP. PMID:27560644

Average intensity and beam quality of optical coherence lattices in oceanic turbulence with anisotropy.

PubMed

Huang, Xianwei; Deng, Zhixiang; Shi, Xiaohui; Bai, Yanfeng; Fu, Xiquan

2018-02-19

Based on the extended Huygens-Fresnel principle, we have derived the analytical expression of the average intensity of optical coherence lattices (OCLs) in oceanic turbulence with anisotropy, and then the beam quality parameters including the Strehl ratio (SR) and the power-in-the-bucket (PIB) are obtained. One can find that the OCLs will eventually evolve into Gaussian shape with the periodicity reciprocity gradually breaking down when propagating through the anisotropic ocean water, and that the trend of evolving into Gaussian can be accelerated for increasing the ratio of temperature and salinity contributions to the refractive index spectrum ω, the lattice constant a and the rate of dissipation of mean square temperature χT or decreasing the anisotropic factor ξ and the rate of dissipation of turbulent kinetic energy per unit mass of fluid ε. Further, the SR and PIB in the target plane under the effects of oceanic parameters are discussed in detail, and the SR and PIB can be increased for the larger ξ and ε or the smaller χT and ω, namely, the beam quality becomes better. Our results can find potential application in the future optical communication system in an oceanic environment.

Magnetic field-induced changes of lattice parameters and thermal expansion behavior of the CoMnSi compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kou, R. H.; Gao, J.; Wang, G.

2016-02-01

The crystal structure of the CoMnSi compound during zero-field cooling and field cooling from room temperature down to 200 K was studied using the synchrotron radiation X-ray diffraction technique. The results show that the lattice parameters and thermal expansion behavior of the sample are changed by the applied magnetic fields. The lattice contracts along the a axis, but expands along the b and c axes. Due to enlarged and anisotropic changes under a magnetic field of 6 T, the lattice shows an invar-like behavior along all three axes. Critical interatomic distances and bond angles also show large changes under themore » influence of such a high magnetic field. These magnetic field-induced changes of the lattice are discussed with respect to their contributions to the large magnetocaloric effect of the CoMnSi compound.« less

Digital lattice gauge theories

NASA Astrophysics Data System (ADS)

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

2017-02-01

We propose a general scheme for a digital construction of lattice gauge theories with dynamical fermions. In this method, the four-body interactions arising in models with 2 +1 dimensions and higher are obtained stroboscopically, through a sequence of two-body interactions with ancillary degrees of freedom. This yields stronger interactions than the ones obtained through perturbative methods, as typically done in previous proposals, and removes an important bottleneck in the road towards experimental realizations. The scheme applies to generic gauge theories with Lie or finite symmetry groups, both Abelian and non-Abelian. As a concrete example, we present the construction of a digital quantum simulator for a Z3 lattice gauge theory with dynamical fermionic matter in 2 +1 dimensions, using ultracold atoms in optical lattices, involving three atomic species, representing the matter, gauge, and auxiliary degrees of freedom, that are separated in three different layers. By moving the ancilla atoms with a proper sequence of steps, we show how we can obtain the desired evolution in a clean, controlled way.

Lattice dynamics, elasticity and magnetic abnormality in ordered crystalline alloys Fe3Pt at high pressures

NASA Astrophysics Data System (ADS)

Cheng, Tai-min; Yu, Guo-Liang; Su, Yong; Ge, Chong-Yuan; Zhang, Xin-Xin; Zhu, Lin; Li, Lin

2018-05-01

The ordered crystalline Invar alloy Fe3Pt is in a special magnetic critical state, under which the lattice dynamic stability of the system is extremely sensitive to external pressures. We studied the pressure dependence of enthalpy and magnetism of Fe3Pt in different crystalline alloys by using the first-principles projector augmented-wave method based on the density functional theory. Results show that the P4/mbm structure is the ground state structure and is more stable relative to other structures at pressures below 18.54 GPa. The total magnetic moments of L12, I4/mmm and DO22 structures decrease rapidly with pressure and oscillate near the ferromagnetic collapse critical pressure. At the pressure of 43 GPa, the ferrimagnetic property in DO22 structure becomes apparently strengthened and its volume increases rapidly. The lattice dynamics calculation for L12 structures at high pressures shows that the spontaneous magnetization of the system in ferromagnetic states induces the softening of the transverse acoustic phonon TA1 (M), and there exists a strong spontaneous volume magnetostriction at pressures below 26.95 GPa. Especially, the lattice dynamics stability is sensitive to pressure, in the pressure range between the ferromagnetic collapse critical pressure (41.9 GPa) and the magnetism completely disappearing pressure (57.25 GPa), and near the pressure of phase transition from L12 to P4/mbm structure (27.27 GPa). Moreover, the instability of magnetic structure leads to a prominent elastic modulus oscillation, and the spin polarizability of electrons near the Fermi level is very sensitive to pressures in that the pressure range. The pressure induces the stability of the phonon spectra of the system at pressures above 57.25 GPa.

Successive magnetic phase transitions in α -RuCl3 : XY-like frustrated magnet on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Kubota, Yumi; Tanaka, Hidekazu; Ono, Toshio; Narumi, Yasuo; Kindo, Koichi

2015-03-01

The layered compound α -RuCl3 is composed of a honeycomb lattice of magnetic Ru3 + ions with the 4 d5 electronic state. We have investigated the magnetic properties of α -RuCl3 via magnetization and specific heat measurements using single crystals. It was observed that α -RuCl3 undergoes a structural phase transition at Tt≃150 K accompanied by fairly large hysteresis. This structural phase transition is expected to be similar to that observed in closely related CrCl3. The magnetizations and magnetic susceptibilities are strongly anisotropic, which mainly arise from the anisotropic g factors, i.e., ga b≃2.5 and gc≃0.4 for magnetic fields parallel and perpendicular to the a b plane, respectively. These g factors and the obtained entropy indicate that the effective spin of Ru3 + is one-half, which results from the low-spin state. Specific heat data show that magnetic ordering occurs in four steps at zero magnetic field. The successive magnetic phase transitions should be ascribed to the competition among exchange interactions. The magnetic phase diagram for H ∥a b is obtained. We discuss the strongly anisotropic g factors in α -RuCl3 and deduce that the exchange interaction is strongly XY-like. α -RuCl3 is magnetically described as a three-dimensionally coupled XY-like frustrated magnet on a honeycomb lattice.

Condensate oscillations in a Penrose tiling lattice

NASA Astrophysics Data System (ADS)

Akdeniz, Z.; Vignolo, P.

2017-07-01

We study the dynamics of a Bose-Einstein condensate subject to a particular Penrose tiling lattice. In such a lattice, the potential energy at each site depends on the neighbour sites, accordingly to the model introduced by Sutherland [16]. The Bose-Einstein wavepacket, initially at rest at the lattice symmetry center, is released. We observe a very complex time-evolution that strongly depends on the symmetry center (two choices are possible), on the potential energy landscape dispersion, and on the interaction strength. The condensate-width oscillates at different frequencies and we can identify large-frequency reshaping oscillations and low-frequency rescaling oscillations. We discuss in which conditions these oscillations are spatially bounded, denoting a self-trapping dynamics.

Small influence of magnetic ordering on lattice dynamics in TaFe 1.25 Te 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Opačić, M.; Lazarević, N.; Tanasković, D.

2017-11-16

Raman scattering spectra of zigzag spin chain TaFe 1.25Te 3 single crystal are presented in a temperature range from 80 to 300 K. Nine Raman active modes of A g and B g symmetry are clearly observed and assigned by probing different scattering channels, which is confirmed by lattice dynamics calculations. Temperature dependence of the Raman modes linewidth is mainly governed by the lattice anharmonicity. The only deviation from the conventional behavior is observed for A g symmetry modes in a vicinity of the magnetic phase transition at T N ≈ 200 K. This implies that the electron-phonon interaction weaklymore » changes with temperature and magnetic ordering, whereas small changes in the spectra near the critical temperature can be ascribed to spin fluctuations.« less

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

PubMed Central

Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

2016-01-01

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures. PMID:26986851

Common Misconceptions about the Dynamical Theory of Crystal Lattices: Cauchy Relations, Lattice Potentials and Infinite Crystals

ERIC Educational Resources Information Center

Elcoro, Luis; Etxebarria, Jesus

2011-01-01

The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used…

Lattice Dynamics Study of Phonon Instability and Thermal Properties of Type-I Clathrate K8Si46 under High Pressure

PubMed Central

Zhang, Wei; Zeng, Zhao Yi; Ge, Ni Na; Li, Zhi Guo

2016-01-01

For a further understanding of the phase transitions mechanism in type-I silicon clathrates K8Si46, ab initio self-consistent electronic calculations combined with linear-response method have been performed to investigate the vibrational properties of alkali metal K atoms encapsulated type-I silicon-clathrate under pressure within the framework of density functional perturbation theory. Our lattice dynamics simulation results showed that the pressure induced phase transition of K8Si46 was believed to be driven by the phonon instability of the calthrate lattice. Analysis of the evolution of the partial phonon density of state with pressure, a legible dynamic picture for both guest K atoms and host lattice, was given. In addition, based on phonon calculations and combined with quasi-harmonic approximation, the specific heat of K8Si46 was derived, which agreed very well with experimental results. Also, other important thermal properties including the thermal expansion coefficients and Grüneisen parameters of K8Si46 under different temperature and pressure were also predicted. PMID:28773736

Raman spectroscopy and lattice dynamics of MgSiO3-perovskite at high pressure

NASA Astrophysics Data System (ADS)

Hemley, R. J.; Cohen, R. E.; Yeganeh-Haeri, A.; Mao, H. K.; Weidner, D. J.; Ito, E.

Vibrational Raman spectra have been obtained for 50 to 100 μm single crystals of MgSiO3 perovskite in situ at high pressure. Seven bands were tracked as a function of pressure to 26 GPa using a diamond-anvil high-pressure cell with rare-gas pressure-transmitting media. The frequency shifts with pressure are positive, and no soft modes were observed, in agreement with the present and previous lattice dynamics calculations. Zero-pressure frequency shifts (dυi/dP)0 vary between 1.7 and 4.2 cm-1/GPa, which contrasts with the uniform shift of 2.6 cm-1/GPa for modes measured in high-pressure mid-infrared spectra. The mode-Grüneisen parameters γi, determined from the present data span the range 1.6-1.9, and are generally higher than those reported in the infrared study. The Raman data are interpreted using the lattice dynamics calculated from the potential-induced breathing (PIB) model, a Gordon-Kim approach that includes the effects of charge relaxation on the dynamics. Good agreement with the experimentally determined frequencies is obtained, particularly in the lower frequency range, in comparison with previous rigid-ion results. The high thermal expansivity for MgSiO3-perovskite is shown to be due to the comparatively high values for γi associated with the lower frequency modes. Thermal weighting of the individual γi is required for an accurate calculation of the thermal Grüneisen parameter γTH and thermal expansivity.

Lattice dynamics and vibrational spectra of conformationally disordered polymers: poly(vinylidene fluoride)

NASA Astrophysics Data System (ADS)

Borionetti, Gabriella; Zannoni, Giuseppe; Zerbi, Giuseppe

1990-07-01

Lattice dynamical calculations were performed on poly(vinylidene fluoride) considered in the ideally perfect α and β structures or in a conformationally disordered structure. Head-to-head and GTG' defects were considered. The conformational soliton proposed by Taylor has been also considered as a cooperative large defect and its spectrum has been calculated. From calculations indications were obtained for the idenfication of infrared or Raman bands originating from the "amorphous" part of the material. The problem of the existence of localized or cooperative conformational defects in this material is presented and information obtainable from the vibrational spectra are discussed.

Energy exchange dynamics of the discrete nonlinear Schrödinger equation lattice and intrinsic formation of strongly localized states

NASA Astrophysics Data System (ADS)

Hennig, D.

1997-09-01

We study the dynamics of excitation energy transfer along a lattice chain modeled by the discrete nonlinear Schrödinger (DNLS) equation. We prove that a segment carrying resonant motion can be decoupled from the remainder of the chain supporting quasiperiodic dynamics. The resonant segment from the extended chain is taken to be a four-site element, viz., a tetramer. First, we focus interest on the energy exchange dynamics along the tetramer viewed as two weakly coupled DNLS dimers. Hamiltonian methods are used to investigate the phase-space dynamics. We pay special attention to the role of the diffusion of the action variables inside resonance layers for the energy migration. When distributing the energy initially equally between the two dimers one observes a directed irreversible flow of energy from one dimer into the other assisted by action diffusion. Eventually on one dimer a stable self-trapped excitation of large amplitude forms at a single site while the other dimer exhibits equal energy partition over its two sites. Finally, we study the formation of localized structure on an extended DNLS lattice chain. In particular we explore the stability of the so-called even-parity and odd-parity localized modes, respectively, and explain their different stability properties by means of phase-space dynamics. The global instability of the even-parity mode is shown. For the excited even-parity mode a symmetry-breaking perturbation of the pattern leads to an intrinsic collapse of the even-parity mode to the odd-parity one. The latter remains stable with respect to symmetry-breaking perturbations. In this way we demonstrate that the favored stable localized states for the DNLS lattice chain correspond to one-site localized excitations.

Exact asymmetric Skyrmion in anisotropic ferromagnet and its helimagnetic application

NASA Astrophysics Data System (ADS)

Kundu, Anjan

2016-08-01

Topological Skyrmions as intricate spin textures were observed experimentally in helimagnets on 2d plane. Theoretical foundation of such solitonic states to appear in pure ferromagnetic model, as exact solutions expressed through any analytic function, was made long ago by Belavin and Polyakov (BP). We propose an innovative generalization of the BP solution for an anisotropic ferromagnet, based on a physically motivated geometric (in-)equality, which takes the exact Skyrmion to a new class of functions beyond analyticity. The possibility of stabilizing such metastable states in helimagnets is discussed with the construction of individual Skyrmion, Skyrmion crystal and lattice with asymmetry, likely to be detected in precision experiments.

Coupled Vortex-Lattice Flight Dynamic Model with Aeroelastic Finite-Element Model of Flexible Wing Transport Aircraft with Variable Camber Continuous Trailing Edge Flap for Drag Reduction

NASA Technical Reports Server (NTRS)

Nguyen, Nhan; Ting, Eric; Nguyen, Daniel; Dao, Tung; Trinh, Khanh

2013-01-01

This paper presents a coupled vortex-lattice flight dynamic model with an aeroelastic finite-element model to predict dynamic characteristics of a flexible wing transport aircraft. The aircraft model is based on NASA Generic Transport Model (GTM) with representative mass and stiffness properties to achieve a wing tip deflection about twice that of a conventional transport aircraft (10% versus 5%). This flexible wing transport aircraft is referred to as an Elastically Shaped Aircraft Concept (ESAC) which is equipped with a Variable Camber Continuous Trailing Edge Flap (VCCTEF) system for active wing shaping control for drag reduction. A vortex-lattice aerodynamic model of the ESAC is developed and is coupled with an aeroelastic finite-element model via an automated geometry modeler. This coupled model is used to compute static and dynamic aeroelastic solutions. The deflection information from the finite-element model and the vortex-lattice model is used to compute unsteady contributions to the aerodynamic force and moment coefficients. A coupled aeroelastic-longitudinal flight dynamic model is developed by coupling the finite-element model with the rigid-body flight dynamic model of the GTM.

Indirect Fabrication of Lattice Metals with Thin Sections Using Centrifugal Casting

PubMed Central

Mun, Jiwon; Ju, Jaehyung; Thurman, James

2016-01-01

One of the typical methods to manufacture 3D lattice metals is the direct-metal additive manufacturing (AM) process such as Selective Laser Melting (SLM) and Electron Beam Melting (EBM). In spite of its potential processing capability, the direct AM method has several disadvantages such as high cost, poor surface finish of final products, limitation in material selection, high thermal stress, and anisotropic properties of parts. We propose a cost-effective method to manufacture 3D lattice metals. The objective of this study is to provide a detailed protocol on fabrication of 3D lattice metals having a complex shape and a thin wall thickness; e.g., octet truss made of Al and Cu alloys having a unit cell length of 5 mm and a cell wall thickness of 0.5 mm. An overall experimental procedure is divided into eight sections: (a) 3D printing of sacrificial patterns (b) melt-out of support materials (c) removal of residue of support materials (d) pattern assembly (e) investment (f) burn-out of sacrificial patterns (g) centrifugal casting (h) post-processing for final products. The suggested indirect AM technique provides the potential to manufacture ultra-lightweight lattice metals; e.g., lattice structures with Al alloys. It appears that the process parameters should be properly controlled depending on materials and lattice geometry, observing the final products of octet truss metals by the indirect AM technique. PMID:27214495

Studying topology and dynamical phase transitions with ultracold quantum gases in optical lattices

NASA Astrophysics Data System (ADS)

Sengstock, Klaus

Topological properties lie at the heart of many fascinating phenomena in solid-state systems such as quantum Hall systems or Chern insulators. The topology of the bands can be captured by the distribution of Berry curvature, which describes the geometry of the eigenstates across the Brillouin zone. Using fermionic ultracold atoms in a hexagonal optical lattice, we engineered the Berry curvature of the Bloch bands using resonant driving and show a full momentum-resolved state tomography from which we obtain the Berry curvature and Chern number. Furthermore, we study the time-evolution of the many-body wavefunction after a sudden quench of the lattce parameters and observe the appearance, movement, and annihilation of vortices in reciprocal space. We identify their number as a dynamical topological order parameter, which suddenly changes its value at critical times. Our measurements constitute the first observation of a so called dynamical topological phase transition`, which we show to be a fruitful concept for the understanding of quantum dynamics far from equilibrium

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

PubMed

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

First-principles investigation of structural, elastic, lattice dynamical and thermodynamic properties of lithium sulfur under pressure

NASA Astrophysics Data System (ADS)

Saib, S.; Bouarissa, N.

2017-10-01

In this study we report on the influence of hydrostatic pressure on structural, elastic, lattice dynamical and thermal properties of Li2S in the anti-fluorite structure using ab initio pseudopotential approach based on the density functional perturbation theory. Our results are found to be in good agreement with those existing in the literature. The present phonon dispersion spectra, dielectric constants and Born effective charges may be seen as the first investigation for the material under load. The pressure dependence of all features of interest has been examined and discussed. Besides, the temperature dependence of the lattice parameter and bulk modulus is predicted. The generalized elastic stability criteria showed that the material of interest is mechanically unstable for pressures beyond 55 GPa.

The spin-temperature theory of dynamic nuclear polarization and nuclear spin-lattice relaxation

NASA Technical Reports Server (NTRS)

Byvik, C. E.; Wollan, D. S.

1974-01-01

A detailed derivation of the equations governing dynamic nuclear polarization (DNP) and nuclear spin lattice relaxation by use of the spin temperature theory has been carried to second order in a perturbation expansion of the density matrix. Nuclear spin diffusion in the rapid diffusion limit and the effects of the coupling of the electron dipole-dipole reservoir (EDDR) with the nuclear spins are incorporated. The complete expression for the dynamic nuclear polarization has been derived and then examined in detail for the limit of well resolved solid effect transitions. Exactly at the solid effect transition peaks, the conventional solid-effect DNP results are obtained, but with EDDR effects on the nuclear relaxation and DNP leakage factor included. Explicit EDDR contributions to DNP are discussed, and a new DNP effect is predicted.

Determination of s- and p-wave I = 1/2 Kπ scattering amplitudes in Nf = 2 + 1 lattice QCD

NASA Astrophysics Data System (ADS)

Brett, Ruairí; Bulava, John; Fallica, Jacob; Hanlon, Andrew; Hörz, Ben; Morningstar, Colin

2018-07-01

The elastic I = 1 / 2, s- and p-wave kaon-pion scattering amplitudes are calculated using a single ensemble of anisotropic lattice QCD gauge field configurations with Nf = 2 + 1 flavors of dynamical Wilson-clover fermions at mπ = 230 MeV. A large spatial extent of L = 3.7 fm enables a good energy resolution while partial wave mixing due to the reduced symmetries of the finite volume is treated explicitly. The p-wave amplitude is well described by a Breit-Wigner shape with parameters mK* /mπ = 3.808 (18) and gK*Kπ BW = 5.33 (20) which are insensitive to the inclusion of d-wave mixing and variation of the s-wave parametrization. An effective range description of the near-threshold s-wave amplitude yields mπa0 = - 0.353 (25).

Separation of variables in anisotropic models: anisotropic Rabi and elliptic Gaudin model in an external magnetic field

NASA Astrophysics Data System (ADS)

Skrypnyk, T.

2017-08-01

We study the problem of separation of variables for classical integrable Hamiltonian systems governed by non-skew-symmetric non-dynamical so(3)\\otimes so(3) -valued elliptic r-matrices with spectral parameters. We consider several examples of such models, and perform separation of variables for classical anisotropic one- and two-spin Gaudin-type models in an external magnetic field, and for Jaynes-Cummings-Dicke-type models without the rotating wave approximation.

A lattice model for influenza spreading.

PubMed

Liccardo, Antonella; Fierro, Annalisa

2013-01-01

We construct a stochastic SIR model for influenza spreading on a D-dimensional lattice, which represents the dynamic contact network of individuals. An age distributed population is placed on the lattice and moves on it. The displacement from a site to a nearest neighbor empty site, allows individuals to change the number and identities of their contacts. The dynamics on the lattice is governed by an attractive interaction between individuals belonging to the same age-class. The parameters, which regulate the pattern dynamics, are fixed fitting the data on the age-dependent daily contact numbers, furnished by the Polymod survey. A simple SIR transmission model with a nearest neighbors interaction and some very basic adaptive mobility restrictions complete the model. The model is validated against the age-distributed Italian epidemiological data for the influenza A(H1N1) during the [Formula: see text] season, with sensible predictions for the epidemiological parameters. For an appropriate topology of the lattice, we find that, whenever the accordance between the contact patterns of the model and the Polymod data is satisfactory, there is a good agreement between the numerical and the experimental epidemiological data. This result shows how rich is the information encoded in the average contact patterns of individuals, with respect to the analysis of the epidemic spreading of an infectious disease.

In situ X-ray diffraction measurement of shock-wave-driven twinning and lattice dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wehrenberg, C. E.; McGonegle, D.; Bolme, C.

We report that pressure-driven shock waves in solid materials can cause extreme damage and deformation. Understanding this deformation and the associated defects that are created in the material is crucial in the study of a wide range of phenomena, including planetary formation and asteroid impact sites, the formation of interstellar dust clouds, ballistic penetrators, spacecraft shielding and ductility in high-performance ceramics. At the lattice level, the basic mechanisms of plastic deformation are twinning (whereby crystallites with a mirror-image lattice form) and slip (whereby lattice dislocations are generated and move), but determining which of these mechanisms is active during deformation ismore » challenging. Experiments that characterized lattice defects have typically examined the microstructure of samples after deformation, and so are complicated by post-shock annealing and reverberations. In addition, measurements have been limited to relatively modest pressures (less than 100 gigapascals). In situ X-ray diffraction experiments can provide insights into the dynamic behaviour of materials, but have only recently been applied to plasticity during shock compression and have yet to provide detailed insight into competing deformation mechanisms. Here we present X-ray diffraction experiments with femtosecond resolution that capture in situ, lattice-level information on the microstructural processes that drive shock-wave-driven deformation. To demonstrate this method we shock-compress the body-centred-cubic material tantalum—an important material for high-energy-density physics owing to its high shock impedance and high X-ray opacity. Tantalum is also a material for which previous shock compression simulations and experiments have provided conflicting information about the dominant deformation mechanism. Our experiments reveal twinning and related lattice rotation occurring on the timescale of tens of picoseconds. In addition, despite the common

In situ X-ray diffraction measurement of shock-wave-driven twinning and lattice dynamics

DOE PAGES

Wehrenberg, C. E.; McGonegle, D.; Bolme, C.; ...

2017-10-25

We report that pressure-driven shock waves in solid materials can cause extreme damage and deformation. Understanding this deformation and the associated defects that are created in the material is crucial in the study of a wide range of phenomena, including planetary formation and asteroid impact sites, the formation of interstellar dust clouds, ballistic penetrators, spacecraft shielding and ductility in high-performance ceramics. At the lattice level, the basic mechanisms of plastic deformation are twinning (whereby crystallites with a mirror-image lattice form) and slip (whereby lattice dislocations are generated and move), but determining which of these mechanisms is active during deformation ismore » challenging. Experiments that characterized lattice defects have typically examined the microstructure of samples after deformation, and so are complicated by post-shock annealing and reverberations. In addition, measurements have been limited to relatively modest pressures (less than 100 gigapascals). In situ X-ray diffraction experiments can provide insights into the dynamic behaviour of materials, but have only recently been applied to plasticity during shock compression and have yet to provide detailed insight into competing deformation mechanisms. Here we present X-ray diffraction experiments with femtosecond resolution that capture in situ, lattice-level information on the microstructural processes that drive shock-wave-driven deformation. To demonstrate this method we shock-compress the body-centred-cubic material tantalum—an important material for high-energy-density physics owing to its high shock impedance and high X-ray opacity. Tantalum is also a material for which previous shock compression simulations and experiments have provided conflicting information about the dominant deformation mechanism. Our experiments reveal twinning and related lattice rotation occurring on the timescale of tens of picoseconds. In addition, despite the common

Origins of anisotropic seismic attenuation of the inner core - intrinsic anelasticity of hcp iron alloy

NASA Astrophysics Data System (ADS)

Redfern, Simon

2015-04-01

Earth's inner core is elastically anisotropic, with seismology showing faster wave propagation along the polar axis compared to the equatorial plane. Some inner core studies report anisotropic seismic attenuation. Attenuation of body-waves has, previously, been postulated to be due to scattering by anisotropic microstructure, but recent normal mode studies also show strong anisotropic attenuation (Mäkinen et al. 2014). This suggests that the anisotropic attenuation is a result of the intrinsic (and anisotropic) anelastic properties of the solid iron alloy forming Earth's inner core. Here, I consider the origins of inner core anisotropic attenuation. Possibilities include grain boundary relaxation, dislocation bowing/glide, or point defect (alloying element) relaxations. The inner core is an almost perfect environment for near-equilibrium crystallisation, with very low temperature gradients across the inner core, low gravity, and slow crystallisation rates. It is assumed that grain sizes may be of the order of hundreds of metres. This implies vanishingly small volumes of grain boundary, and insignificant grain boundary relaxation. The very high homologous temperature and the absence of obvious deviatoric stress, also leads one to conclude that dislocation densities are low. On the other hand, estimates for light element concentrations are of the order of a few % with O, S, Si, C and H at various times being suggested as candidate elements. Light element solutes in hcp metals contribute to intrinsic anelastic attenuation if they occur in sufficient concentrations to pair and form elastic dipoles. Switching of dipoles under the stress of a passing seismic wave will result in anelastic mechanical loss. Such attenuation has been measured in hcp metals in the lab, and is anisotropic due to the intrinsic elastic anisotropy of the host lattice. Such solute pair relaxations result in a "Zener effect", which is suggested here to be responsible for observed anisotropic

Electrostatic and Small-Signal Analysis of CMUTs With Circular and Square Anisotropic Plates.

PubMed

Funding la Cour, Mette; Christiansen, Thomas Lehrmann; Jensen, Jørgen Arendt; Thomsen, Erik Vilain

2015-08-01

Traditionally, capacitive micromachined ultrasonic transducers (CMUTs) are modeled using the isotropic plate equation, and this leads to deviations between analytical calculations and finite element modeling (FEM). In this paper, the deflection is calculated for both circular and square plates using the full anisotropic plate equation. It is shown that the anisotropic calculations match excellently with FEM, whereas an isotropic approach causes up to 10% deviations in deflection. For circular plates, an exact solution can be found. For square plates using the Galerkin method, and utilizing the symmetry of the silicon crystal, a compact and accurate expression for the deflection can be obtained. The deviation from FEM in center deflection is <0.1%. The theory of multilayer plates is also applied to the CMUT. The deflection of a square plate was measured on fabricated CMUTs using a white light interferometer. Fitting the plate parameter for the anisotropic calculated deflection to the measurement, a deviation of 0.07% is seen. Electrostatic and small-signal dynamic analysis are performed using energy considerations including anisotropy. The stable position, effective spring constant, pullin distance, and pull-in voltage are found for both circular and square anisotropic plates, and the pressure dependence is included by comparison with the corresponding analysis for a parallel plate. Measurements on fabricated devices with both circular and square plates subjected to increasing bias voltage are performed, and it is observed that the models including anisotropic effects are within the uncertainty interval of the measurements. Finally, a lumped element small-signal model for both circular and square anisotropic plates is derived to describe the dynamics of the CMUT.

Anisotropic Weyl symmetry and cosmology

NASA Astrophysics Data System (ADS)

Moon, Taeyoon; Oh, Phillial; Sohn, Jongsu

2010-11-01

We construct an anisotropic Weyl invariant theory in the ADM formalism and discuss its cosmological consequences. It extends the original anisotropic Weyl invariance of Hořava-Lifshitz gravity using an extra scalar field. The action is invariant under the anisotropic transformations of the space and time metric components with an arbitrary value of the critical exponent z. One of the interesting features is that the cosmological constant term maintains the anisotropic symmetry for z = -3. We also include the cosmological fluid and show that it can preserve the anisotropic Weyl invariance if the equation of state satisfies P = zρ/3. Then, we study cosmology of the Einstein-Hilbert-anisotropic Weyl (EHaW) action including the cosmological fluid, both with or without anisotropic Weyl invariance. The correlation of the critical exponent z and the equation of state parameter bar omega provides a new perspective of the cosmology. It is also shown that the EHaW action admits a late time accelerating universe for an arbitrary value of z when the anisotropic conformal invariance is broken, and the anisotropic conformal scalar field is interpreted as a possible source of dark energy.

Mobile bound states of Rydberg excitations in a lattice

NASA Astrophysics Data System (ADS)

Letscher, Fabian; Petrosyan, David

2018-04-01

Spin-lattice models play a central role in the studies of quantum magnetism and nonequilibrium dynamics of spin excitations—-magnons. We show that a spin lattice with strong nearest-neighbor interactions and tunable long-range hopping of excitations can be realized by a regular array of laser-driven atoms, with an excited Rydberg state representing the spin-up state and a Rydberg-dressed ground state corresponding to the spin-down state. We find exotic interaction-bound states of magnons that propagate in the lattice via the combination of resonant two-site hopping and nonresonant second-order hopping processes. Arrays of trapped Rydberg-dressed atoms can thus serve as a flexible platform to simulate and study fundamental few-body dynamics in spin lattices.

Phase separation and large deviations of lattice active matter

NASA Astrophysics Data System (ADS)

Whitelam, Stephen; Klymko, Katherine; Mandal, Dibyendu

2018-04-01

Off-lattice active Brownian particles form clusters and undergo phase separation even in the absence of attractions or velocity-alignment mechanisms. Arguments that explain this phenomenon appeal only to the ability of particles to move persistently in a direction that fluctuates, but existing lattice models of hard particles that account for this behavior do not exhibit phase separation. Here we present a lattice model of active matter that exhibits motility-induced phase separation in the absence of velocity alignment. Using direct and rare-event sampling of dynamical trajectories, we show that clustering and phase separation are accompanied by pronounced fluctuations of static and dynamic order parameters. This model provides a complement to off-lattice models for the study of motility-induced phase separation.

Lattice Strain Due to an Atomic Vacancy

PubMed Central

Li, Shidong; Sellers, Michael S.; Basaran, Cemal; Schultz, Andrew J.; Kofke, David A.

2009-01-01

Volumetric strain can be divided into two parts: strain due to bond distance change and strain due to vacancy sources and sinks. In this paper, efforts are focused on studying the atomic lattice strain due to a vacancy in an FCC metal lattice with molecular dynamics simulation (MDS). The result has been compared with that from a continuum mechanics method. It is shown that using a continuum mechanics approach yields constitutive results similar to the ones obtained based purely on molecular dynamics considerations. PMID:19582230

Rational assembly of nanoparticle superlattices with designed lattice symmetries

DOEpatents

Gang, Oleg; Lu, Fang; Tagawa, Miho

2017-09-05

A method for lattice design via multivalent linkers (LDML) is disclosed that introduces a rationally designed symmetry of connections between particles in order to achieve control over the morphology of their assembly. The method affords the inclusion of different programmable interactions within one linker that allow an assembly of different types of particles. The designed symmetry of connections is preferably provided utilizing DNA encoding. The linkers may include fabricated "patchy" particles, DNA scaffold constructs and Y-shaped DNA linkers, anisotropic particles, which are preferably functionalized with DNA, multimeric protein-DNA complexes, and particles with finite numbers of DNA linkers.

Dynamic localization in optical and Zeeman lattices in the presence of spin-orbit coupling

NASA Astrophysics Data System (ADS)

Kartashov, Yaroslav V.; Konotop, Vladimir V.; Zezyulin, Dmitry A.; Torner, Lluis

2016-12-01

The dynamic localization of a two-level atom in a periodic potential under the action of spin-orbit coupling and a weak harmonically varying linear force is studied. We consider optical and Zeeman potentials that are either in phase or out of phase in two spinor components, respectively. The expectation value for the position of the atom after one oscillation period of the linear force is recovered in authentic resonances or in pseudoresonances. The frequencies of the linear force corresponding to authentic resonances are determined by the band structure of the periodic potential and are affected by the spin-orbit coupling. The width or dispersion of the wave packet in authentic resonances is usually minimal. The frequencies corresponding to pseudoresonances do not depend on the type of potential and on the strength of the spin-orbit coupling, while the evolution of excitations at the corresponding frequencies is usually accompanied by significant dispersion. Pseudoresonances are determined by the initial phase of the linear force and by the quasimomentum of the wave packet. Due to the spinor nature of the system, the motion of the atom is accompanied by periodic, but not harmonic, spin oscillations. Under the action of spin-orbit coupling the oscillations of the wave packet can be nearly completely suppressed in optical lattices. Dynamic localization in Zeeman lattices is characterized by doubling of the resonant oscillation periods due to band crossing at the boundary of the Brillouin zone. We also show that higher harmonics in the Fourier expansion of the energy band lead to effective dispersion, which can be strong enough to prevent dynamic localization of the Bloch wave packet.

B -meson decay constants from 2 + 1 -flavor lattice QCD with domain-wall light quarks and relativistic heavy quarks

DOE PAGES

Christ, Norman H.; Flynn, Jonathan M.; Izubuchi, Taku; ...

2015-03-10

We calculate the B-meson decay constants f B, f Bs, and their ratio in unquenched lattice QCD using domain-wall light quarks and relativistic b quarks. We use gauge-field ensembles generated by the RBC and UKQCD collaborations using the domain-wall fermion action and Iwasaki gauge action with three flavors of light dynamical quarks. We analyze data at two lattice spacings of a ≈ 0.11, 0.086 fm with unitary pion masses as light as M π ≈ 290 MeV; this enables us to control the extrapolation to the physical light-quark masses and continuum. For the b quarks we use the anisotropic clovermore » action with the relativistic heavy-quark interpretation, such that discretization errors from the heavy-quark action are of the same size as from the light-quark sector. We renormalize the lattice heavy-light axial-vector current using a mostly nonperturbative method in which we compute the bulk of the matching factor nonperturbatively, with a small correction, that is close to unity, in lattice perturbation theory. We also improve the lattice heavy-light current through O(α sa). We extrapolate our results to the physical light-quark masses and continuum using SU(2) heavy-meson chiral perturbation theory, and provide a complete systematic error budget. We obtain f B0 = 199.5(12.6) MeV, f B+=195.6(14.9) MeV, f Bs=235.4(12.2) MeV, f Bs/f B0=1.197(50), and f Bs/f B+=1.223(71), where the errors are statistical and total systematic added in quadrature. Finally, these results are in good agreement with other published results and provide an important independent cross-check of other three-flavor determinations of B-meson decay constants using staggered light quarks.« less

B-meson decay constants from 2+1-flavor lattice QCD with domain-wall light quarks and relativistic heavy quarks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christ, Norman H.; Flynn, Jonathan M.; Izubuchi, Taku

2015-03-10

We calculate the B-meson decay constants f B, f Bs, and their ratio in unquenched lattice QCD using domain-wall light quarks and relativistic b-quarks. We use gauge-field ensembles generated by the RBC and UKQCD collaborations using the domain-wall fermion action and Iwasaki gauge action with three flavors of light dynamical quarks. We analyze data at two lattice spacings of a ≈ 0.11, 0.086 fm with unitary pion masses as light as M π ≈ 290 MeV; this enables us to control the extrapolation to the physical light-quark masses and continuum. For the b-quarks we use the anisotropic clover action withmore » the relativistic heavy-quark interpretation, such that discretization errors from the heavy-quark action are of the same size as from the light-quark sector. We renormalize the lattice heavy-light axial-vector current using a mostly nonperturbative method in which we compute the bulk of the matching factor nonperturbatively, with a small correction, that is close to unity, in lattice perturbation theory. We also improve the lattice heavy-light current through O(α sa). We extrapolate our results to the physical light-quark masses and continuum using SU(2) heavy-meson chiral perturbation theory, and provide a complete systematic error budget. We obtain f B0 = 196.2(15.7) MeV, f B+ = 195.4(15.8) MeV, f Bs = 235.4(12.2) MeV, f Bs/f B0 = 1.193(59), and f Bs/f B+ = 1.220(82), where the errors are statistical and total systematic added in quadrature. In addition, these results are in good agreement with other published results and provide an important independent cross check of other three-flavor determinations of B-meson decay constants using staggered light quarks.« less

Volumetric Lattice Boltzmann Simulation for Fluid dynamics and Turbulence in Practical Syringes

NASA Astrophysics Data System (ADS)

Lima, Everton; Deep, Debanjan; Yu, Huidan (Whitney)

2012-11-01

We conduct numerical experiments to study fluid dynamics and turbulence in syringes using volumetric lattice Boltzmann method (VLBM) that is developed for dealing with arbitrary moving boundaries. Several common used medical syringes are used to predict the efficiency and safety of syringes experiencing low flow infusion rates. It is found that smaller size syringes reach a steady flow rate much sooner than larger ones, which are in quantitative agreement with experimental results. The relation between the syringe size and its steady flow rate is revealed. At low flow rates, corner vortices are observed. We explore conditions that lead to turbulent flow aiming to aid safer syringe application in nursing practices.

Dynamical signature of localization-delocalization transition in a one-dimensional incommensurate lattice

NASA Astrophysics Data System (ADS)

Yang, Chao; Wang, Yucheng; Wang, Pei; Gao, Xianlong; Chen, Shu

2017-05-01

We investigate the quench dynamics of a one-dimensional incommensurate lattice described by the Aubry-André model by a sudden change of the strength of incommensurate potential Δ and unveil that the dynamical signature of localization-delocalization transition can be characterized by the occurrence of zero points in the Loschmidt echo. For the quench process with quenching taking place between two limits of Δ =0 and Δ =∞ , we give analytical expressions of the Loschmidt echo, which indicate the existence of a series of zero points in the Loschmidt echo. For a general quench process, we calculate the Loschmidt echo numerically and analyze its statistical behavior. Our results show that if both the initial and post-quench Hamiltonian are in extended phase or localized phase, Loschmidt echo will always be greater than a positive number; however if they locate in different phases, Loschmidt echo can reach nearby zero at some time intervals.

Discrete solitons and vortices in anisotropic hexagonal and honeycomb lattices

DOE PAGES

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

Discrete solitons and vortices in anisotropic hexagonal and honeycomb lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoq, Q. E.; Kevrekidis, P. G.; Bishop, A. R.

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

Kenneth Wilson and Lattice QCD

NASA Astrophysics Data System (ADS)

Ukawa, Akira

2015-09-01

We discuss the physics and computation of lattice QCD, a space-time lattice formulation of quantum chromodynamics, and Kenneth Wilson's seminal role in its development. We start with the fundamental issue of confinement of quarks in the theory of the strong interactions, and discuss how lattice QCD provides a framework for understanding this phenomenon. A conceptual issue with lattice QCD is a conflict of space-time lattice with chiral symmetry of quarks. We discuss how this problem is resolved. Since lattice QCD is a non-linear quantum dynamical system with infinite degrees of freedom, quantities which are analytically calculable are limited. On the other hand, it provides an ideal case of massively parallel numerical computations. We review the long and distinguished history of parallel-architecture supercomputers designed and built for lattice QCD. We discuss algorithmic developments, in particular the difficulties posed by the fermionic nature of quarks, and their resolution. The triad of efforts toward better understanding of physics, better algorithms, and more powerful supercomputers have produced major breakthroughs in our understanding of the strong interactions. We review the salient results of this effort in understanding the hadron spectrum, the Cabibbo-Kobayashi-Maskawa matrix elements and CP violation, and quark-gluon plasma at high temperatures. We conclude with a brief summary and a future perspective.

Strongly coupled electronic, magnetic, and lattice degrees of freedom in LaCo 5 under pressure

DOE PAGES

Stillwell, Ryan L.; Jeffries, Jason R.; McCall, Scott K.; ...

2015-11-25

In this study, we have performed high-pressure magnetotransport and x-ray diffraction measurements on ferromagnetic LaCo 5, confirming the theoretically predicted electronic topological transition driving the magnetoelastic collapse seen in the related compound YCo 5. Our x-ray diffraction results show an anisotropic lattice collapse of the c axis near 10 GPa that is also commensurate with a change in the majority charge carriers evident from high-pressure Hall effect measurements. The coupling of the electronic, magnetic, and lattice degrees of freedom is further substantiated by the evolution of the anomalous Hall effect, which couples to the magnetization of the ordered state ofmore » LaCo 5.« less

Lattice field theory applications in high energy physics

NASA Astrophysics Data System (ADS)

Gottlieb, Steven

2016-10-01

Lattice gauge theory was formulated by Kenneth Wilson in 1974. In the ensuing decades, improvements in actions, algorithms, and computers have enabled tremendous progress in QCD, to the point where lattice calculations can yield sub-percent level precision for some quantities. Beyond QCD, lattice methods are being used to explore possible beyond the standard model (BSM) theories of dynamical symmetry breaking and supersymmetry. We survey progress in extracting information about the parameters of the standard model by confronting lattice calculations with experimental results and searching for evidence of BSM effects.

Anomalously large bend elastic constant and faster electro-optic response in anisotropic gels formed by a dipeptide

NASA Astrophysics Data System (ADS)

Bhargavi, R.; Nair, Geetha G.; Prasad, S. Krishna; Prabhu, Rashmi; Yelamaggad, C. V.

2011-04-01

We report rheological, static, and dynamic Freedericksz transformation measurements on an anisotropic thermoreversible gel formed by gelation of a nematic liquid crystal (NLC) with a monodisperse dipeptide. The storage and loss modulii obtained from a low strain oscillatory shear experiment display that the material forms a weak anisotropic gel, and undergoes a sharp thermal transition to an anisotropic sol state. Freedericksz transformation studies employing an electric field for the reorientation of the molecules present a surprising result: the gel possesses a very large Frank bend elastic constant value, which is orders of magnitude higher than that for the high temperature sol state as well as that for the neat NLC used. On the other hand, the splay elastic constant shows relatively a small increase. Further, these elastic constants show systematic but nonlinear variation with the concentration of the gelator. Attractive features of the electro-optic switching when the sol transforms to the gel state are the vanishing of the undesirable backflow effect, and nearly an order of magnitude decrease in the switching speed. In both the gel and sol states the extracted rotational viscosities are comparable to the values of the neat NLC at corresponding temperatures. In contrast, the bulk dynamic viscosity is more than three orders of magnitude higher in the gel. The studies also demonstrate that the anisotropic gel to anisotropic sol transition seen in this weak gel can be tracked by simply monitoring the static or the dynamic Freedericksz transformation.

Boundary conditions for gas flow problems from anisotropic scattering kernels

NASA Astrophysics Data System (ADS)

To, Quy-Dong; Vu, Van-Huyen; Lauriat, Guy; Léonard, Céline

2015-10-01

The paper presents an interface model for gas flowing through a channel constituted of anisotropic wall surfaces. Using anisotropic scattering kernels and Chapman Enskog phase density, the boundary conditions (BCs) for velocity, temperature, and discontinuities including velocity slip and temperature jump at the wall are obtained. Two scattering kernels, Dadzie and Méolans (DM) kernel, and generalized anisotropic Cercignani-Lampis (ACL) are examined in the present paper, yielding simple BCs at the wall fluid interface. With these two kernels, we rigorously recover the analytical expression for orientation dependent slip shown in our previous works [Pham et al., Phys. Rev. E 86, 051201 (2012) and To et al., J. Heat Transfer 137, 091002 (2015)] which is in good agreement with molecular dynamics simulation results. More important, our models include both thermal transpiration effect and new equations for the temperature jump. While the same expression depending on the two tangential accommodation coefficients is obtained for slip velocity, the DM and ACL temperature equations are significantly different. The derived BC equations associated with these two kernels are of interest for the gas simulations since they are able to capture the direction dependent slip behavior of anisotropic interfaces.

Two-dimensional lattice Boltzmann model for magnetohydrodynamics.

PubMed

Schaffenberger, Werner; Hanslmeier, Arnold

2002-10-01

We present a lattice Boltzmann model for the simulation of two-dimensional magnetohydro dynamic (MHD) flows. The model is an extension of a hydrodynamic lattice Boltzman model with 9 velocities on a square lattice resulting in a model with 17 velocities. Earlier lattice Boltzmann models for two-dimensional MHD used a bidirectional streaming rule. However, the use of such a bidirectional streaming rule is not necessary. In our model, the standard streaming rule is used, allowing smaller viscosities. To control the viscosity and the resistivity independently, a matrix collision operator is used. The model is then applied to the Hartmann flow, giving reasonable results.

Strongly interacting dynamics beyond the standard model on a space-time lattice.

PubMed

Lucini, Biagio

2010-08-13

Strong theoretical arguments suggest that the Higgs sector of the standard model of electroweak interactions is an effective low-energy theory, with a more fundamental theory expected to emerge at an energy scale of the order of a teraelectronvolt. One possibility is that the more fundamental theory is strongly interacting and the Higgs sector is given by the low-energy dynamics of the underlying theory. I review recent works aimed at determining observable quantities by numerical simulations of strongly interacting theories proposed in the literature to explain the electroweak symmetry-breaking mechanism. These investigations are based on Monte Carlo simulations of the theory formulated on a space-time lattice. I focus on the so-called minimal walking technicolour scenario, an SU(2) gauge theory with two flavours of fermions in the adjoint representation. The emerging picture is that this theory has an infrared fixed point that dominates the large-distance physics. I shall discuss the first numerical determinations of quantities of phenomenological interest for this theory and analyse future directions of quantitative studies of strongly interacting theories beyond the standard model with lattice techniques. In particular, I report on a finite size scaling determination of the chiral condensate anomalous dimension gamma, for which 0.05 < or = gamma < or = 0.25.

Infinite projected entangled-pair state algorithm for ruby and triangle-honeycomb lattices

NASA Astrophysics Data System (ADS)

Jahromi, Saeed S.; Orús, Román; Kargarian, Mehdi; Langari, Abdollah

2018-03-01

The infinite projected entangled-pair state (iPEPS) algorithm is one of the most efficient techniques for studying the ground-state properties of two-dimensional quantum lattice Hamiltonians in the thermodynamic limit. Here, we show how the algorithm can be adapted to explore nearest-neighbor local Hamiltonians on the ruby and triangle-honeycomb lattices, using the corner transfer matrix (CTM) renormalization group for 2D tensor network contraction. Additionally, we show how the CTM method can be used to calculate the ground-state fidelity per lattice site and the boundary density operator and entanglement entropy (EE) on an infinite cylinder. As a benchmark, we apply the iPEPS method to the ruby model with anisotropic interactions and explore the ground-state properties of the system. We further extract the phase diagram of the model in different regimes of the couplings by measuring two-point correlators, ground-state fidelity, and EE on an infinite cylinder. Our phase diagram is in agreement with previous studies of the model by exact diagonalization.

Critical slowing down in driven-dissipative Bose-Hubbard lattices

NASA Astrophysics Data System (ADS)

Vicentini, Filippo; Minganti, Fabrizio; Rota, Riccardo; Orso, Giuliano; Ciuti, Cristiano

2018-01-01

We explore theoretically the dynamical properties of a first-order dissipative phase transition in coherently driven Bose-Hubbard systems, describing, e.g., lattices of coupled nonlinear optical cavities. Via stochastic trajectory calculations based on the truncated Wigner approximation, we investigate the dynamical behavior as a function of system size for one-dimensional (1D) and 2D square lattices in the regime where mean-field theory predicts nonlinear bistability. We show that a critical slowing down emerges for increasing number of sites in 2D square lattices, while it is absent in 1D arrays. We characterize the peculiar properties of the collective phases in the critical region.

Anisotropic biodegradable lipid coated particles for spatially dynamic protein presentation.

PubMed

Meyer, Randall A; Mathew, Mohit P; Ben-Akiva, Elana; Sunshine, Joel C; Shmueli, Ron B; Ren, Qiuyin; Yarema, Kevin J; Green, Jordan J

2018-05-01

There has been growing interest in the use of particles coated with lipids for applications ranging from drug delivery, gene delivery, and diagnostic imaging to immunoengineering. To date, almost all particles with lipid coatings have been spherical despite emerging evidence that non-spherical shapes can provide important advantages including reduced non-specific elimination and increased target-specific binding. We combine control of core particle geometry with control of particle surface functionality by developing anisotropic, biodegradable ellipsoidal particles with lipid coatings. We demonstrate that these lipid coated ellipsoidal particles maintain advantageous properties of lipid polymer hybrid particles, such as the ability for modular protein conjugation to the particle surface using versatile bioorthogonal ligation reactions. In addition, they exhibit biomimetic membrane fluidity and demonstrate lateral diffusive properties characteristic of natural membrane proteins. These ellipsoidal particles simultaneously provide benefits of non-spherical particles in terms of stability and resistance to non-specific phagocytosis by macrophages as well as enhanced targeted binding. These biomaterials provide a novel and flexible platform for numerous biomedical applications. The research reported here documents the ability of non-spherical polymeric particles to be coated with lipids to form anisotropic biomimetic particles. In addition, we demonstrate that these lipid-coated biodegradable polymeric particles can be conjugated to a wide variety of biological molecules in a "click-like" fashion. This is of interest due to the multiple types of cellular mimicry enabled by this biomaterial based technology. These features include mimicry of the highly anisotropic shape exhibited by cells, surface presentation of membrane bound protein mimetics, and lateral diffusivity of membrane bound substrates comparable to that of a plasma membrane. This platform is demonstrated to

Equivalence classes of Fibonacci lattices and their similarity properties

NASA Astrophysics Data System (ADS)

Lo Gullo, N.; Vittadello, L.; Bazzan, M.; Dell'Anna, L.

2016-08-01

We investigate, theoretically and experimentally, the properties of Fibonacci lattices with arbitrary spacings. Different from periodic structures, the reciprocal lattice and the dynamical properties of Fibonacci lattices depend strongly on the lengths of their lattice parameters, even if the sequence of long and short segment, the Fibonacci string, is the same. In this work we show that by exploiting a self-similarity property of Fibonacci strings under a suitable composition rule, it is possible to define equivalence classes of Fibonacci lattices. We show that the diffraction patterns generated by Fibonacci lattices belonging to the same equivalence class can be rescaled to a common pattern of strong diffraction peaks thus giving to this classification a precise meaning. Furthermore we show that, through the gap labeling theorem, gaps in the energy spectra of Fibonacci crystals belonging to the same class can be labeled by the same momenta (up to a proper rescaling) and that the larger gaps correspond to the strong peaks of the diffraction spectra. This observation makes the definition of equivalence classes meaningful also for the spectral and therefore dynamical and thermodynamical properties of quasicrystals. Our results apply to the more general class of quasiperiodic lattices for which similarity under a suitable deflation rule is in order.

Casimir forces on a bi-anisotropic absorbing magneto-dielectric slab between two parallel conducting plates

NASA Astrophysics Data System (ADS)

Amooshahi, Majid; Shoughi, Ali

2018-05-01

A fully canonical quantization of electromagnetic field in the presence of a bi-anisotropic absorbing magneto-dielectric slab is demonstrated. The electric and the magnetic polarization densities of the magneto-dielectric slab are defined in terms of the dynamical variables modeling the slab and the coupling tensors that couple the electromagnetic field to the slab. The four susceptibility tensors of the bi-anisotropic magneto-dielectric slab are expressed in terms of the coupling tensors that couple an electromagnetic field to the slab. It is shown that the four susceptibility tensors of the bi-anisotropic magneto-dielectric slab satisfy Kramers-Kronig relations. The Maxwell’s equations are exactly solved in the presence of the bi-anisotropic magneto-dielectric slab. The tangential and the normal components of the Casimir forces exerted on the bi-anisotropic magnet-dielectric slab exactly are calculated in the vacuum state and thermal state of the total system. It is shown that the tangential components of the Casimir forces vanish when the bi-anisotropic slab is converted to an isotropic slab.

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

NASA Astrophysics Data System (ADS)

Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao

2015-11-01

Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease LTC. However, such trials have yielded successes only within a limited exploration space. Here, we report the virtual screening of a library containing 54 779 compounds. Our strategy is to search the library through Bayesian optimization using for the initial data the LTC obtained from first-principles anharmonic lattice-dynamics calculations for a set of 101 compounds. We discovered 221 materials with very low LTC. Two of them even have an electronic band gap <1 eV , which makes them exceptional candidates for thermoelectric applications. In addition to those newly discovered thermoelectric materials, the present strategy is believed to be powerful for many other applications in which the chemistry of materials is required to be optimized.

Lattice dynamics of Ru2FeX (X = Si, Ge) Full Heusler alloys

NASA Astrophysics Data System (ADS)

Rizwan, M.; Afaq, A.; Aneeza, A.

2018-05-01

In present work, the lattice dynamics of Ru2FeX (X = Si, Ge) full Heusler alloys are investigated using density functional theory (DFT) within generalized gradient approximation (GGA) in a plane wave basis, with norm-conserving pseudopotentials. Phonon dispersion curves and phonon density of states are obtained using first-principles linear response approach of density functional perturbation theory (DFPT) as implemented in Quantum ESPRESSO code. Phonon dispersion curves indicates for both Heusler alloys that there is no imaginary phonon in whole Brillouin zone, confirming dynamical stability of these alloys in L21 type structure. There is a considerable overlapping between acoustic and optical phonon modes predicting no phonon band gap exists in dispersion curves of alloys. The same result is shown by phonon density of states curves for both Heusler alloys. Reststrahlen band for Ru2FeSi is found smaller than Ru2FeGe.

Experimental Observation of Anisotropic Adler-Bell-Jackiw Anomaly in Type-II Weyl Semimetal WTe1.98 Crystals at the Quasiclassical Regime

NASA Astrophysics Data System (ADS)

Lv, Yang-Yang; Li, Xiao; Zhang, Bin-Bin; Deng, W. Y.; Yao, Shu-Hua; Chen, Y. B.; Zhou, Jian; Zhang, Shan-Tao; Lu, Ming-Hui; Zhang, Lei; Tian, Mingliang; Sheng, L.; Chen, Yan-Feng

2017-03-01

The asymmetric electron dispersion in type-II Weyl semimetal theoretically hosts anisotropic transport properties. Here, we observe the significant anisotropic Adler-Bell-Jackiw (ABJ) anomaly in the Fermi-level delicately adjusted WTe1.98 crystals. Quantitatively, CW , a coefficient representing the intensity of the ABJ anomaly along the a and b axis of WTe1.98 are 0.030 and 0.051 T-2 at 2 K, respectively. We found that the temperature-sensitive ABJ anomaly is attributed to a topological phase transition from a type-II Weyl semimetal to a trivial semimetal, which is verified by a first-principles calculation using experimentally determined lattice parameters at different temperatures. Theoretical electrical transport study reveals that the observation of an anisotropic ABJ along both the a and b axes in WTe1.98 is attributed to electrical transport in the quasiclassical regime. Our work may suggest that electron-doped WTe2 is an ideal playground to explore the novel properties in type-II Weyl semimetals.

Quantum Dynamics of Solitons in Strongly Interacting Systems on Optical Lattices

NASA Astrophysics Data System (ADS)

Rubbo, Chester; Balakrishnan, Radha; Reinhardt, William; Satija, Indubala; Rey, Ana; Manmana, Salvatore

2012-06-01

We present results of the quantum dynamics of solitons in XXZ spin-1/2 systems which in general can be derived from a system of spinless fermions or hard-core bosons (HCB) with nearest neighbor interaction on a lattice. A mean-field treatment using spin-coherent states revealed analytic solutions of both bright and dark solitons [1]. We take these solutions and apply a full quantum evolution using the adaptive time-dependent density matrix renormalization group method (adaptive t-DMRG), which takes into account the effect of strong correlations. We use local spin observables, correlations functions, and entanglement entropies as measures for the stability of these soliton solutions over the simulation times. [4pt] [1] R. Balakrishnan, I.I. Satija, and C.W. Clark, Phys. Rev. Lett. 103, 230403 (2009).

Fractional lattice charge transport

NASA Astrophysics Data System (ADS)

Flach, Sergej; Khomeriki, Ramaz

2017-01-01

We consider the dynamics of noninteracting quantum particles on a square lattice in the presence of a magnetic flux α and a dc electric field E oriented along the lattice diagonal. In general, the adiabatic dynamics will be characterized by Bloch oscillations in the electrical field direction and dispersive ballistic transport in the perpendicular direction. For rational values of α and a corresponding discrete set of values of E(α) vanishing gaps in the spectrum induce a fractionalization of the charge in the perpendicular direction - while left movers are still performing dispersive ballistic transport, the complementary fraction of right movers is propagating in a dispersionless relativistic manner in the opposite direction. Generalizations and the possible probing of the effect with atomic Bose-Einstein condensates and photonic networks are discussed. Zak phase of respective band associated with gap closing regime has been computed and it is found converging to π/2 value.

Atomistic characterisation of Li+ mobility and conductivity in Li(7-x)PS(6-x)Ix argyrodites from molecular dynamics simulations, solid-state NMR, and impedance spectroscopy.

PubMed

Pecher, Oliver; Kong, Shiao-Tong; Goebel, Thorsten; Nickel, Vera; Weichert, Katja; Reiner, Christof; Deiseroth, Hans-Jörg; Maier, Joachim; Haarmann, Frank; Zahn, Dirk

2010-07-26

The atomistic mechanisms of Li(+) ion mobility/conductivity in Li(7-x)PS(6-x)I(x) argyrodites are explored from both experimental and theoretical viewpoints. Ionic conductivity in the title compound is associated with a solid-solid phase transition, which was characterised by low-temperature differential scanning calorimetry, (7)Li and (127)I NMR investigations, impedance measurements and molecular dynamics simulations. The NMR signals of both isotopes are dominated by anisotropic interactions at low temperatures. A significant narrowing of the NMR signal indicates a motional averaging of the anisotropic interactions above 177+/-2 K. The activation energy to ionic conductivity was assessed from both impedance spectroscopy and molecular dynamics simulations. The latter revealed that a series of interstitial sites become accessible to the Li(+) ions, whilst the remaining ions stay at their respective sites in the argyrodite lattice. The interstitial positions each correspond to the centres of tetrahedra of S/I atoms, and differ only in terms of their common corners, edges, or faces with adjacent PS(4) tetrahedra. From connectivity analyses and free-energy rankings, a specific tetrahedron is identified as the key restriction to ionic conductivity, and is clearly differentiated from local mobility, which follows a different mechanism with much lower activation energy. Interpolation of the lattice parameters as derived from X-ray diffraction experiments indicates a homogeneity range for Li(7-x)PS(6-x)I(x) with 0.97 < or = x < or = 1.00. Within this range, molecular dynamics simulations predict Li(+) conductivity at ambient conditions to vary considerably.

Mean field study of a propagation-turnover lattice model for the dynamics of histone marking

NASA Astrophysics Data System (ADS)

Yao, Fan; Li, FangTing; Li, TieJun

2017-02-01

We present a mean field study of a propagation-turnover lattice model, which was proposed by Hodges and Crabtree [Proc. Nat. Acad. Sci. 109, 13296 (2012)] for understanding how posttranslational histone marks modulate gene expression in mammalian cells. The kinetics of the lattice model consists of nucleation, propagation and turnover mechanisms, and exhibits second-order phase transition for the histone marking domain. We showed rigorously that the dynamics essentially depends on a non-dimensional parameter κ = k +/ k -, the ratio between the propagation and turnover rates, which has been observed in the simulations. We then studied the lowest order mean field approximation, and observed the phase transition with an analytically obtained critical parameter. The boundary layer analysis was utilized to investigate the structure of the decay profile of the mark density. We also studied the higher order mean field approximation to achieve sharper estimate of the critical transition parameter and more detailed features. The comparison between the simulation and theoretical results shows the validity of our theory.

Rural-Urban Migration in D-Dimensional Lattices

NASA Astrophysics Data System (ADS)

Espíndola, Aquino L.; Penna, T. J. P.; Silveira, Jaylson J.

The rural-urban migration phenomenon is analyzed by using an agent-based computational model. Agents are placed on lattices which dimensions varying from d =2 up to d =7. The localization of the agents in the lattice defines that their social neighborhood (rural or urban) is not related to their spatial distribution. The effect of the dimension of lattice is studied by analyzing the variation of the main parameters that characterizes the migratory process. The dynamics displays strong effects even for around one million of sites, in higher dimensions (d =6, 7).

Illuminating heterogeneous anisotropic upper mantle: testing a new anisotropic teleseismic body-wave tomography code - part II: Inversion mode

NASA Astrophysics Data System (ADS)

Munzarova, Helena; Plomerova, Jaroslava; Kissling, Edi

2015-04-01

Considering only isotropic wave propagation and neglecting anisotropy in teleseismic tomography studies is a simplification obviously incongruous with current understanding of the mantle-lithosphere plate dynamics. Furthermore, in solely isotropic high-resolution tomography results, potentially significant artefacts (i.e., amplitude and/or geometry distortions of 3D velocity heterogeneities) may result from such neglect. Therefore, we have undertaken to develop a code for anisotropic teleseismic tomography (AniTomo), which will allow us to invert the relative P-wave travel time residuals simultaneously for coupled isotropic-anisotropic P-wave velocity models of the upper mantle. To accomplish that, we have modified frequently-used isotropic teleseismic tomography code Telinv (e.g., Weiland et al., JGR, 1995; Lippitsch, JGR, 2003; Karousova et al., GJI, 2013). Apart from isotropic velocity heterogeneities, a weak hexagonal anisotropy is assumed as well to be responsible for the observed P-wave travel-time residuals. Moreover, no limitations to orientation of the symmetry axis are prescribed in the code. We allow a search for anisotropy oriented generally in 3D, which represents a unique approach among recent trials that otherwise incorporate only azimuthal anisotopy into the body-wave tomography. The presented code for retrieving anisotropy in 3D thus enables its direct applications to datasets from tectonically diverse regions. In this contribution, we outline the theoretical background of the AniTomo anisotropic tomography code. We parameterize the mantle lithosphere and asthenosphere with an orthogonal grid of nodes with various values of isotropic velocities, as well as of strength and orientation of anisotropy in 3D, which is defined by azimuth and inclination of either fast or slow symmetry axis of the hexagonal approximation of the media. Careful testing of the new code on synthetics, concentrating on code functionality, strength and weaknesses, is a

Anisotropic dielectric properties of two-dimensional matrix in pseudo-spin ferroelectric system

NASA Astrophysics Data System (ADS)

Kim, Se-Hun

2016-10-01

The anisotropic dielectric properties of a two-dimensional (2D) ferroelectric system were studied using the statistical calculation of the pseudo-spin Ising Hamiltonian model. It is necessary to delay the time for measurements of the observable and the independence of the new spin configuration under Monte Carlo sampling, in which the thermal equilibrium state depends on the temperature and size of the system. The autocorrelation time constants of the normalized relaxation function were determined by taking temperature and 2D lattice size into account. We discuss the dielectric constants of a two-dimensional ferroelectric system by using the Metropolis method in view of the Slater-Takagi defect energies.

Anisotropic mean-square displacements in two-dimensional colloidal crystals of tilted dipoles

NASA Astrophysics Data System (ADS)

Froltsov, V. A.; Likos, C. N.; Löwen, H.; Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.

2005-03-01

Superparamagnetic colloidal particles confined to a flat horizontal air-water interface in an external magnetic field, which is tilted relative to the interface, form anisotropic two-dimensional crystals resulting from their mutual dipole-dipole interactions. Using real-space experiments and harmonic lattice theory we explore the mean-square displacements of the particles in the directions parallel and perpendicular to the in-plane component of the external magnetic field as a function of the tilt angle. We find that the anisotropy of the mean-square displacement behaves nonmonotonically as a function of the tilt angle and does not correlate with the structural anisotropy of the crystal.

Critical behavior of dissipative two-dimensional spin lattices

NASA Astrophysics Data System (ADS)

Rota, R.; Storme, F.; Bartolo, N.; Fazio, R.; Ciuti, C.

2017-04-01

We explore critical properties of two-dimensional lattices of spins interacting via an anisotropic Heisenberg Hamiltonian that are subject to incoherent spin flips. We determine the steady-state solution of the master equation for the density matrix via the corner-space renormalization method. We investigate the finite-size scaling and critical exponent of the magnetic linear susceptibility associated with a dissipative ferromagnetic transition. We show that the von Neumann entropy increases across the critical point, revealing a strongly mixed character of the ferromagnetic phase. Entanglement is witnessed by the quantum Fisher information, which exhibits a critical behavior at the transition point, showing that quantum correlations play a crucial role in the transition.

Supergranulation and multiscale flows in the solar photosphere. Global observations vs. a theory of anisotropic turbulent convection

NASA Astrophysics Data System (ADS)

Rincon, F.; Roudier, T.; Schekochihin, A. A.; Rieutord, M.

2017-03-01

The Sun provides us with the only spatially well-resolved astrophysical example of turbulent thermal convection. While various aspects of solar photospheric turbulence, such as granulation (one-Megameter horizontal scale), are well understood, the questions of the physical origin and dynamical organization of larger-scale flows, such as the 30-Megameters supergranulation and flows deep in the solar convection zone, remain largely open in spite of their importance for solar dynamics and magnetism. Here, we present a new critical global observational characterization of multiscale photospheric flows and subsequently formulate an anisotropic extension of the Bolgiano-Obukhov theory of hydrodynamic stratified turbulence that may explain several of their distinctive dynamical properties. Our combined analysis suggests that photospheric flows in the horizontal range of scales between supergranulation and granulation have a typical vertical correlation scale of 2.5 to 4 Megameters and operate in a strongly anisotropic, self-similar, nonlinear, buoyant dynamical regime. While the theory remains speculative at this stage, it lends itself to quantitative comparisons with future high-resolution acoustic tomography of subsurface layers and advanced numerical models. Such a validation exercise may also lead to new insights into the asymptotic dynamical regimes in which other, unresolved turbulent anisotropic astrophysical fluid systems supporting waves or instabilities operate.

Regions of tunneling dynamics for few bosons in an optical lattice subjected to a quench of the imposed harmonic trap

NASA Astrophysics Data System (ADS)

Mistakidis, Simeon; Koutentakis, Georgios; Schmelcher, Peter; Theory Group of Fundamental Processes in Quantum Physics Team

2016-05-01

Recent experimental advances have introduced an interplay in the trapping length scales of the lattice and the harmonic confinement. This fact motivates the investigation to prepare atomic gases at certain quantum states by utilizing a composite atomic trap consisting of a lattice potential that is embedded inside an overlying harmonic trap. In the present work, we examine how frequency modulations of the overlying harmonic trap stimulate the dynamics of an 1D few-boson gas. The gas is initially prepared at a highly confined state, and the subsequent dynamics induced by a quench of the harmonic trap frequency to a lower value is examined. It is shown that a non-interacting gas always diffuses to the outer sites. In contrast the response of the interacting system is more involved and is dominated by a resonance, which is induced by the bifurcation of the low-lying eigenstates. Our study reveals that the position of the resonance depends both on the atom number and the interaction coupling, manifesting its many body nature. The corresponding mean field treatment as well as the single-band approximation have been found to be inadequate for the description of the tunneling dynamics in the interacting case. Deutsche Forschungsgemeinschaft, SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

Tunable Spin dependent beam shift by simultaneously tailoring geometric and dynamical phases of light in inhomogeneous anisotropic medium

PubMed Central

Pal, Mandira; Banerjee, Chitram; Chandel, Shubham; Bag, Ankan; Majumder, Shovan K.; Ghosh, Nirmalya

2016-01-01

Spin orbit interaction and the resulting Spin Hall effect of light are under recent intensive investigations because of their fundamental nature and potential applications. Here, we report an interesting manifestation of spin Hall effect of light and demonstrate its tunability in an inhomogeneous anisotropic medium exhibiting spatially varying retardance level. In our system, the beam shift occurs only for one circular polarization mode keeping the other orthogonal mode unaffected, which is shown to arise due to the combined spatial gradients of the geometric phase and the dynamical phase of light. The constituent two orthogonal circular polarization modes of an input linearly polarized light evolve in different trajectories, eventually manifesting as a large and tunable spin separation. The spin dependent beam shift and the demonstrated principle of simultaneously tailoring space-varying geometric and dynamical phase of light for achieving its tunability (of both magnitude and direction), may provide an attractive route towards development of spin-optical devices. PMID:28004825

Magnetized anisotropic stars

NASA Astrophysics Data System (ADS)

Stelea, Cristian; Dariescu, Marina-Aura; Dariescu, Ciprian

2018-05-01

We extend a known solution-generating technique for isotropic fluids in order to construct more general models of anisotropic stars with poloidal magnetic fields. In particular, we discuss the magnetized versions of some well-known exact solutions describing anisotropic stars and dark energy stars, and we describe some of their properties.

Influence of lattice orientation on growth and structure of graphene on Cu(001)

DOE PAGES

Wofford, Joseph M.; Nie, Shu; Thürmer, Konrad; ...

2015-03-31

We have used low-energy electron microscopy (LEEM) and diffraction (LEED) to examine the significance of lattice orientation in graphene growth on Cu(0 0 1). Individual graphene domains undergo anisotropic growth on the Cu surface, and develop into lens shapes with their long axes roughly aligned with Cu <1 0 0> in-plane directions. Furthermore, the long axis of a lens-shaped domain is only rarely oriented along a C <1 1> direction, suggesting that carbon attachment at “zigzag” graphene island edges is unfavorable. A kink-mediated adatom attachment process is consistent with the behavior observed here and reported in the literature. Likewise, themore » details of the ridged moiré pattern formed by the superposition of the graphene lattice on the (0 0 1) Cu surface also evolve with the graphene lattice orientation, and are predicted well by a simple geometric model. Managing the kink-mediated growth mode of graphene on Cu(0 0 1) will be necessary for the continued improvement of this graphene synthesis technique.« less

Static and Dynamic Anisotropic Muduli of a Shale Sample from Southern Alberta, Canada

NASA Astrophysics Data System (ADS)

Melendez Martinez, J.; Schmitt, D. R.; Kofman, R. S.

2012-12-01

Recent interest in unconventional reservoirs broadly motivates our work in laboratory measurements of seismic anisotropy. Seismic anisotropy is the variation in speed of a wave as a function of its direction of propagation and particle polarization. When assuming an isotropic model of Earth during conventional seismic processing in areas with evidence of anisotropy a poor resolution images or erroneous localization of geological structures with strong dipping is produced. Ignoring anisotropy in unconventional reservoirs leads, for example, leads to erroneous estimation of horizontal stresses, wellbore stress as well as wellbore stability during hydraulic fracturing In this sense, laboratory measurements are an important tool to study seismic anisotropy since they provide information on the anisotropy intrinsic to the rock material itself. This is important to know as this contributes to the observed seismic anisotropy that is influenced by stress states and fractures. In this work, assuming a transversally isotropic medium (VTI), elastic anisotropic moduli of a dry shale from Southern Alberta are estimated as a function of confining pressure. Estimation of elastic constants and dynamic bulk moduli in a VTI medium involves recording P and S travel times by using pulse transmission method in a minimum of three different directions. These are often taken for the sake of convenience to be perpendicular (P0o and S0o), parallel (P90o and SH90o), and oblique (P45o and SH45o) to the layering of the material with the assumption that the perpendicular and parallel directions align with the principal anisotropic axes. The pulse transmission method involves generating and recording P and S ultrasonic waves traveling through a sample. Static Bulk moduli is estimated by measuring the volumetric deformation (strain) for a given confining pressure (stress) by using strain gauges directly bonded on the sample in two different directions: perpendicular to bedding and parallel to

The bulk, surface and corner free energies of the square lattice Ising model

NASA Astrophysics Data System (ADS)

Baxter, R. J.

2017-01-01

We use Kaufman’s spinor method to calculate the bulk, surface and corner free energies {f}{{b}},{f}{{s}},{f}{{s}}\\prime ,{f}{{c}} of the anisotropic square lattice zero-field Ising model for the ordered ferromagnetic case. For {f}{{b}},{f}{{s}},{f}{{s}}\\prime our results of course agree with the early work of Onsager, McCoy and Wu. We also find agreement with the conjectures made by Vernier and Jacobsen (VJ) for the isotropic case. We note that the corner free energy f c depends only on the elliptic modulus k that enters the working, and not on the argument v, which means that VJ’s conjecture applies for the full anisotropic model. The only aspect of this paper that is new is the actual derivation of f c, but by reporting all four free energies together we can see interesting structures linking them.

Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock technique.

PubMed

Ge, Ni-Na; Wei, Yong-Kai; Song, Zhen-Fei; Chen, Xiang-Rong; Ji, Guang-Fu; Zhao, Feng; Wei, Dong-Qing

2014-07-24

Molecular dynamics simulations in conjunction with multiscale shock technique (MSST) are performed to study the initial chemical processes and the anisotropy of shock sensitivity of the condensed-phase HMX under shock loadings applied along the a, b, and c lattice vectors. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed. Our results show that there is a difference between lattice vector a (or c) and lattice vector b in the response to a shock wave velocity of 11 km/s, which is investigated through reaction temperature and relative sliding rate between adjacent slipping planes. The response along lattice vectors a and c are similar to each other, whose reaction temperature is up to 7000 K, but quite different along lattice vector b, whose reaction temperature is only up to 4000 K. When compared with shock wave propagation along the lattice vectors a (18 Å/ps) and c (21 Å/ps), the relative sliding rate between adjacent slipping planes along lattice vector b is only 0.2 Å/ps. Thus, the small relative sliding rate between adjacent slipping planes results in the temperature and energy under shock loading increasing at a slower rate, which is the main reason leading to less sensitivity under shock wave compression along lattice vector b. In addition, the C-H bond dissociation is the primary pathway for HMX decomposition in early stages under high shock loading from various directions. Compared with the observation for shock velocities V(imp) = 10 and 11 km/s, the homolytic cleavage of N-NO2 bond was obviously suppressed with increasing pressure.

Electronic structure and lattice dynamics of few-layer InSe

NASA Astrophysics Data System (ADS)

Webster, Lucas; Yan, Jia-An

Studies of Group-III monochalcogenides (MX, M = Ga and In, X = S, Se, and Te) have revealed their great potentials in many optoelectronic applications, including solar energy conversion, fabrication of memory devices and solid-state batteries. Among these semiconductors, indium selenide (InSe) has attracted particular attention due to its narrower direct bandgap, which makes it suitable for photovoltaic conversion. In this work, using first-principles calculations, we present a detailed study of the energetics, atomic structures, electronic structures, and lattice dynamics of InSe layers down to two-dimensional limit, namely, monolayer InSe and bilayer InSe with various stacking geometry. Calculations using various exchange-correlation functionals and pseudopotentials are tested and compared with experimental data. The dependence of the Raman spectra on the stacking geometry and the laser polarization will also be discussed. This work is supported by the SET Grant of the Fisher College of Science and Mathematics (FCSM) at the Towson University.

Enhancement of temporal contrast of high-power laser pulses in an anisotropic medium with cubic nonlinearity

NASA Astrophysics Data System (ADS)

Kuz'mina, M. S.; Khazanov, E. A.

2015-05-01

We consider the methods for enhancing the temporal contrast of super-high-power laser pulses, based on the conversion of radiation polarisation in a medium with cubic nonlinearity. For a medium with weak birefringence and isotropic nonlinearity, we propose a new scheme to enhance the temporal contrast. For a medium with anisotropic nonlinearity, the efficiency of the temporal contrast optimisation is shown to depend not only on the spatial orientation of the crystal and B-integral, but also on the type of the crystal lattice symmetry.

Dynamic phase transition in the prisoner's dilemma on a lattice with stochastic modifications

NASA Astrophysics Data System (ADS)

Saif, M. Ali; Gade, Prashant M.

2010-03-01

We present a detailed study of the prisoner's dilemma game with stochastic modifications on a two-dimensional lattice, in the presence of evolutionary dynamics. By very nature of the rules, the cooperators have incentives to cheat and fear being cheated. They may cheat even when this is not dictated by the evolutionary dynamics. We consider two variants here. In each case, the agents mimic the action (cooperation or defection) in the previous time step of the most successful agent in the neighborhood. But over and above this, the fraction p of cooperators spontaneously change their strategy to pure defector at every time step in the first variant. In the second variant, there are no pure cooperators. All cooperators keep defecting with probability p at every time step. In both cases, the system switches from a coexistence state to an all-defector state for higher values of p. We show that the transition between these states unambiguously belongs to the directed percolation universality class in 2 + 1 dimensions. We also study the local persistence. The persistence exponents obtained are higher than the ones obtained in previous studies, underlining their dependence on details of the dynamics.

Event-by-Event Anisotropic Flow in Heavy-ion Collisions from Combined Yang-Mills and Viscous Fluid Dynamics

NASA Astrophysics Data System (ADS)

Gale, Charles; Jeon, Sangyong; Schenke, Björn; Tribedy, Prithwish; Venugopalan, Raju

2013-01-01

Anisotropic flow coefficients v1-v5 in heavy ion collisions are computed by combining a classical Yang-Mills description of the early time Glasma flow with the subsequent relativistic viscous hydrodynamic evolution of matter through the quark-gluon plasma and hadron gas phases. The Glasma dynamics, as realized in the impact parameter dependent Glasma (IP-Glasma) model, takes into account event-by-event geometric fluctuations in nucleon positions and intrinsic subnucleon scale color charge fluctuations; the preequilibrium flow of matter is then matched to the music algorithm describing viscous hydrodynamic flow and particle production at freeze-out. The IP-Glasma+MUSIC model describes well both transverse momentum dependent and integrated vn data measured at the Large Hadron Collider and the Relativistic Heavy Ion Collider. The model also reproduces the event-by-event distributions of v2, v3 and v4 measured by the ATLAS Collaboration. The implications of our results for better understanding of the dynamics of the Glasma and for the extraction of transport properties of the quark-gluon plasma are outlined.

Lattice stabilities, mechanical and thermodynamic properties of Al3Tm and Al3Lu intermetallics under high pressure from first-principles calculations

NASA Astrophysics Data System (ADS)

Xu-Dong, Zhang; Wei, Jiang

2016-02-01

The effects of high pressure on lattice stability, mechanical and thermodynamic properties of L12 structure Al3Tm and Al3Lu are studied by first-principles calculations within the VASP code. The phonon dispersion curves and density of phonon states are calculated by using the PHONONPY code. Our results agree well with the available experimental and theoretical values. The vibrational properties indicate that Al3Tm and Al3Lu keep their dynamical stabilities in L12 structure up to 100 GPa. The elastic properties and Debye temperatures for Al3Tm and Al3Lu increase with the increase of pressure. The mechanical anisotropic properties are discussed by using anisotropic indices AG, AU, AZ, and the three-dimensional (3D) curved surface of Young’s modulus. The calculated results show that Al3Tm and Al3Lu are both isotropic at 0 GPa and anisotropic under high pressure. In the present work, the sound velocities in different directions for Al3Tm and Al3Lu are also predicted under high pressure. We also calculate the thermodynamic properties and provide the relationships between thermal parameters and temperature/pressure. These results can provide theoretical support for further experimental work and industrial applications. Project supported by the Scientific Technology Plan of the Educational Department of Liaoning Province and Liaoning Innovative Research Team in University, China (Grant No. LT2014004) and the Program for the Young Teacher Cultivation Fund of Shenyang University of Technology, China (Grant No. 005612).

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic x-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our findings confirm the displacive nature of the cubic-to-tetragonal phase transition, which is further shown, using neutron and x-ray diffraction, to be close to a tricritical point. Lastly, we detect quasistatic symmetry-breaking nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These findings reveal key structural properties of these materials, and also bearmore » important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes

NASA Astrophysics Data System (ADS)

Rosa, Barbara L. T.; Marçal, Lucas A. B.; Ribeiro Andrade, Rodrigo; Dornellas Pinto, Luciana; Rodrigues, Wagner N.; Lustoza Souza, Patrícia; Pamplona Pires, Mauricio; Wagner Nunes, Ricardo; Malachias, Angelo

2017-07-01

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the <110> directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes.

PubMed

Rosa, Barbara L T; Marçal, Lucas A B; Andrade, Rodrigo Ribeiro; Pinto, Luciana Dornellas; Rodrigues, Wagner N; Souza, Patrícia Lustoza; Pires, Mauricio Pamplona; Nunes, Ricardo Wagner; Malachias, Angelo

2017-07-28

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the 〈110〉 directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

An integrated simulator of structure and anisotropic flow in gas diffusion layers with hydrophobic additives

NASA Astrophysics Data System (ADS)

Burganos, Vasilis N.; Skouras, Eugene D.; Kalarakis, Alexandros N.

2017-10-01

The lattice-Boltzmann (LB) method is used in this work to reproduce the controlled addition of binder and hydrophobicity-promoting agents, like polytetrafluoroethylene (PTFE), into gas diffusion layers (GDLs) and to predict flow permeabilities in the through- and in-plane directions. The present simulator manages to reproduce spreading of binder and hydrophobic additives, sequentially, into the neat fibrous layer using a two-phase flow model. Gas flow simulation is achieved by the same code, sidestepping the need for a post-processing flow code and avoiding the usual input/output and data interface problems that arise in other techniques. Compression effects on flow anisotropy of the impregnated GDL are also studied. The permeability predictions for different compression levels and for different binder or PTFE loadings are found to compare well with experimental data for commercial GDL products and with computational fluid dynamics (CFD) predictions. Alternatively, the PTFE-impregnated structure is reproduced from Scanning Electron Microscopy (SEM) images using an independent, purely geometrical approach. A comparison of the two approaches is made regarding their adequacy to reproduce correctly the main structural features of the GDL and to predict anisotropic flow permeabilities at different volume fractions of binder and hydrophobic additives.

Topology (and axion's properties) from lattice QCD with a dynamical charm

NASA Astrophysics Data System (ADS)

Burger, Florian; Ilgenfritz, Ernst-Michael; Lombardo, Maria Paola; Müller-Preussker, Michael; Trunin, Anton

2017-11-01

We present results on QCD with four dynamical flavors in the temperature range 0.9 ≲ T /Tc ≲ 2. We have performed lattice simulations with Wilson fermions at maximal twist and measured the topological charge with gluonic and fermionic methods. The topological charge distribution is studied by means of its cumulants, which encode relevant properties of the QCD axion, a plausible Dark Matter candidate. The topological susceptibility measured with the fermionic method exhibits a power-law decay for T /Tc ≳ 2, with an exponent close to the one predicted by the Dilute Instanton Gas Approximation (DIGA). Close to Tc the temperature dependent effective exponent approaches the DIGA result from above, in agreement with recent analytic calculations. These results constrain the axion window, once an assumption on the fraction of axions contributing to Dark Matter is made.

Entropic Lattice Boltzmann Methods

DTIC Science & Technology

2001-12-10

model of fluid dynamics in one dimension, first considered by Renda et al. in 1997 [14]. Here the geometric picture involves a four dimensional polytope...convention of including constant terms in an extra column of the matrix, using the device of appending 1 to the column vector of unknowns. In general, there...we apply the entropic lattice Boltzmann method to a simple five-velocity model of fluid dynamics in one dimension, first considered by Renda et al

Interaction quenched ultracold few-boson ensembles in periodically driven lattices

NASA Astrophysics Data System (ADS)

Mistakidis, Simeon; Schmelcher, Peter; Theory Group of Fundamental Processes in Quantum Physics Team

2017-04-01

The out-of-equilibrium dynamics of interaction quenched finite ultracold bosonic ensembles in periodically driven one-dimensional optical lattices is investigated. It is shown that periodic driving enforces the bosons in the outer wells of the finite lattice to exhibit out-of-phase dipole-like modes, while in the central well the atomic cloud experiences a local breathing mode. The dynamical behavior is investigated with varying driving frequency, revealing a resonant-like behavior of the intra-well dynamics. An interaction quench in the periodically driven lattice gives rise to admixtures of different excitations in the outer wells, an enhanced breathing in the center and an amplification of the tunneling dynamics. We observe then multiple resonances between the inter- and intra-well dynamics at different quench amplitudes, with the position of the resonances being tunable via the driving frequency. Our results pave the way for future investigations on the use of combined driving protocols in order to excite different inter- and intra-well modes and to subsequently control them. Deutsche Forschungsgemeinschaft (DFG) in the framework of the SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

Toda-Lattice Solitons in α-Helical Proteins

NASA Astrophysics Data System (ADS)

Yomosa, Shigeo

1984-10-01

We propose a theory of Toda-lattice soliton in α-helical proteins which enables us to elucidate the molecular dynamics of muscle contraction. One-dimensional chain of peptide groups jointed together by H-bonds, which stabilizes α-helical structure of proteins, can be regarded as a Toda-lattice where the potential of H-bonding interaction between peptide groups has a remarkable nonlinearity. By using the results of theoretical studies for Toda-lattice soliton and for the initial value problem, we can describe the molecular mechanism of the transformation of the chemical energy to the mechanical work in the process of the muscle contraction.

Lattice dynamics approach to determine the dependence of the time-of-flight of transversal polarized acoustic waves on external stress

NASA Astrophysics Data System (ADS)

Tarar, K. S.; Pluta, M.; Amjad, U.; Grill, W.

2011-04-01

Based on the lattice dynamics approach the dependence of the time-of-flight (TOF) on stress has been modeled for transversal polarized acoustic waves. The relevant dispersion relation is derived from the appropriate mass-spring model together with the dependencies on the restoring forces including the effect of externally applied stress. The lattice dynamics approach can also be interpreted as a discrete and strictly periodic lumped circuit. In that case the modeling represents a finite element approach. In both cases the properties relevant for wavelengths large with respect to the periodic structure can be derived from the respective limit relating also to low frequencies. The model representing a linear chain with stiffness to shear and additional stiffness introduced by extensional stress is presented and compared to existing models, which so far represent each only one of the effects treated here in combination. For a string this effect is well known from musical instruments. The counteracting effects are discussed and compared to experimental results.

Tailoring femtosecond laser pulse filamentation using plasma photonic lattices

NASA Astrophysics Data System (ADS)

Suntsov, Sergiy; Abdollahpour, Daryoush; Papazoglou, Dimitrios G.; Panagiotopoulos, Paris; Couairon, Arnaud; Tzortzakis, Stelios

2013-07-01

We demonstrate experimentally that by using transient plasma photonic lattices, the attributes of intense femtosecond laser filaments, such as peak intensity and length, can be dynamically controlled. The extended plasma lattice structure is generated using two co-propagating non-diffracting intense Bessel beams in water. The use of such transient lattice structures to control the competition between linear and nonlinear effects involved in filamentation opens the way for extensive control of the filamentation process.

Frustrated Magnetism of Dipolar Molecules on a Square Optical Lattice: Prediction of a Quantum Paramagnetic Ground State

NASA Astrophysics Data System (ADS)

Zou, Haiyuan; Zhao, Erhai; Liu, W. Vincent

2017-08-01

Motivated by the experimental realization of quantum spin models of polar molecule KRb in optical lattices, we analyze the spin 1 /2 dipolar Heisenberg model with competing anisotropic, long-range exchange interactions. We show that, by tilting the orientation of dipoles using an external electric field, the dipolar spin system on square lattice comes close to a maximally frustrated region similar, but not identical, to that of the J1-J2 model. This provides a simple yet powerful route to potentially realize a quantum spin liquid without the need for a triangular or kagome lattice. The ground state phase diagrams obtained from Schwinger-boson and spin-wave theories consistently show a spin disordered region between the Néel, stripe, and spiral phase. The existence of a finite quantum paramagnetic region is further confirmed by an unbiased variational ansatz based on tensor network states and a tensor renormalization group.

Global constraints on Z2 fluxes in two different anisotropic limits of a hypernonagon Kitaev model

NASA Astrophysics Data System (ADS)

Kato, Yasuyuki; Kamiya, Yoshitomo; Nasu, Joji; Motome, Yukitoshi

2018-05-01

The Kitaev model is an exactly-soluble quantum spin model, whose ground state provides a canonical example of a quantum spin liquid. Spin excitations from the ground state are fractionalized into emergent matter fermions and Z2 fluxes. The Z2 flux excitation is pointlike in two dimensions, while it comprises a closed loop in three dimensions because of the local constraint for each closed volume. In addition, the fluxes obey global constraints involving (semi)macroscopic number of fluxes. We here investigate such global constraints in the Kitaev model on a three-dimensional lattice composed of nine-site elementary loops, dubbed the hypernonagon lattice, whose ground state is a chiral spin liquid. We consider two different anisotropic limits of the hypernonagon Kitaev model where the low-energy effective models are described solely by the Z2 fluxes. We show that there are two kinds of global constraints in the model defined on a three-dimensional torus, namely, surface and volume constraints: the surface constraint is imposed on the even-odd parity of the total number of fluxes threading a two-dimensional slice of the system, while the volume constraint is for the even-odd parity of the number of the fluxes through specific plaquettes whose total number is proportional to the system volume. In the two anisotropic limits, therefore, the elementary excitation of Z2 fluxes occurs in a pair of closed loops so as to satisfy both two global constraints as well as the local constraints.

A physical interpretation of softening of pressure-sensitive and anisotropic materials

NASA Astrophysics Data System (ADS)

Hu, W.; Wang, Z. R.

2010-07-01

Several new dynamic models are proposed to explain the mechanical behaviour of softening of pressure-sensitive and anisotropic materials at a macroscopic level. If a pressure-sensitive material is loaded by a force and a variable pressure or an anisotropic material is subjected to a load with a changeable loading direction relative to the material frame, their stress-strain relationships become more complicated. Mechanical behaviours of these stress-strain relationships have to cover the feature concerning the change of pressure or loading direction, i.e. mechanical properties of pressure-sensitive material corresponding to different pressure state or anisotropic material relating to different loading direction will play an important role in deciding their stress-strain relationships. Such shift of material properties due to the variable pressure or loading history may significantly expand the traditional concept of the stability of material deformation, and the second order of plastic work being negative may be a response of stable plastic deformation, which is commonly called softening.

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

PubMed

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

2018-03-28

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

Nucleon axial charge in (2+1)-flavor dynamical-lattice QCD with domain-wall fermions.

PubMed

Yamazaki, T; Aoki, Y; Blum, T; Lin, H W; Lin, M F; Ohta, S; Sasaki, S; Tweedie, R J; Zanotti, J M

2008-05-02

We present results for the nucleon axial charge g{A} at a fixed lattice spacing of 1/a=1.73(3) GeV using 2+1 flavors of domain wall fermions on size 16;{3} x 32 and 24;{3} x 64 lattices (L=1.8 and 2.7 fm) with length 16 in the fifth dimension. The length of the Monte Carlo trajectory at the lightest m_{pi} is 7360 units, including 900 for thermalization. We find finite volume effects are larger than the pion mass dependence at m{pi}=330 MeV. We also find a scaling with the single variable m{pi}L which can also be seen in previous two-flavor domain wall and Wilson fermion calculations. Using this scaling to eliminate the finite-volume effect, we obtain g{A}=1.20(6)(4) at the physical pion mass, m_{pi}=135 MeV, where the first and second errors are statistical and systematic. The observed finite-volume scaling also appears in similar quenched simulations, but disappear when V>or=(2.4 fm);{3}. We argue this is a dynamical quark effect.

Anisotropic swim stress in active matter with nematic order

NASA Astrophysics Data System (ADS)

Yan, Wen; Brady, John F.

2018-05-01

Active Brownian particles (ABPs) transmit a swim pressure {{{\\Pi }}}{{swim}}=n\\zeta {D}{{swim}} to the container boundaries, where ζ is the drag coefficient, D swim is the swim diffusivity and n is the uniform bulk number density far from the container walls. In this work we extend the notion of the isotropic swim pressure to the anisotropic tensorial swim stress {{\\boldsymbol{σ }}}{{swim}}=-n\\zeta {{\\boldsymbol{D}}}{{swim}}, which is related to the anisotropic swim diffusivity {{\\boldsymbol{D}}}{{swim}}. We demonstrate this relationship with ABPs that achieve nematic orientational order via a bulk external field. The anisotropic swim stress is obtained analytically for dilute ABPs in both 2D and 3D systems. The anisotropy, defined as the ratio of the maximum to the minimum of the three principal stresses, is shown to grow exponentially with the strength of the external field. We verify that the normal component of the anisotropic swim stress applies a pressure {{{\\Pi }}}{{swim}}=-({{\\boldsymbol{σ }}}{{swim}}\\cdot {\\boldsymbol{n}})\\cdot {\\boldsymbol{n}} on a wall with normal vector {\\boldsymbol{n}}, and, through Brownian dynamics simulations, this pressure is shown to be the force per unit area transmitted by the active particles. Since ABPs have no friction with a wall, the difference between the normal and tangential stress components—the normal stress difference—generates a net flow of ABPs along the wall, which is a generic property of active matter systems.

Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics.

PubMed

Sun, Yajing; Shuai, Zhigang; Wang, Dong

2018-05-23

Few-layered arsenic-phosphorus alloys, AsxP(1-x), with a puckered structure have been recently synthesized and demonstrated with fully tunable band gaps and optical properties. It is predicted that the carrier mobility of monolayer AsP compounds is even higher than that of black phosphorene (b-P). The anisotropic and orthogonal electrical and thermal transport properties of the puckered group VA elements make them intriguing materials for thermoelectric applications. Herein, we investigated the thermal transport properties of AsP based on first-principles molecular dynamics and the Boltzmann transport equation. We reveal that monolayer AsP with three different chemical structures possesses thermal conductivities lower than b-P, but with increased anisotropy. Further, these structures behave profoundly different on heat conduction. This can be attributed to the distinct low-frequency optical modes associated with their bonding nature. Our results highlight the impact of atomic arrangement on the thermal conductivity of AsP, and the structure-property relationship established may guide the fabrication of thermoelectric materials via the engineered alloying method.

Improved real-time dynamics from imaginary frequency lattice simulations

NASA Astrophysics Data System (ADS)

Pawlowski, Jan M.; Rothkopf, Alexander

2018-03-01

The computation of real-time properties, such as transport coefficients or bound state spectra of strongly interacting quantum fields in thermal equilibrium is a pressing matter. Since the sign problem prevents a direct evaluation of these quantities, lattice data needs to be analytically continued from the Euclidean domain of the simulation to Minkowski time, in general an ill-posed inverse problem. Here we report on a novel approach to improve the determination of real-time information in the form of spectral functions by setting up a simulation prescription in imaginary frequencies. By carefully distinguishing between initial conditions and quantum dynamics one obtains access to correlation functions also outside the conventional Matsubara frequencies. In particular the range between ω0 and ω1 = 2πT, which is most relevant for the inverse problem may be more highly resolved. In combination with the fact that in imaginary frequencies the kernel of the inverse problem is not an exponential but only a rational function we observe significant improvements in the reconstruction of spectral functions, demonstrated in a simple 0+1 dimensional scalar field theory toy model.

Flat (0 0 1) surfaces of II-VI semiconductors: a lattice gas model

NASA Astrophysics Data System (ADS)

Ahr, Martin; Biehl, Michael

2002-05-01

We present a two-dimensional lattice gas with anisotropic interactions which model the known properties of the surface reconstructions of CdTe and ZnSe. In contrast to an earlier publication [M. Biehl, M. Ahr, W. Kinzel, M. Sokolowski, T. Volkmann, Europhys. Lett. 53 (2001) 169] the formation of anion dimers is considered. This alters the behaviour of the model considerably. We determine the phase diagram of this model by means of transfer matrix calculations and Monte Carlo simulations. We find qualitative agreement with the results of various experimental investigations.

Communication: Heterogeneous water dynamics on a clathrate hydrate lattice detected by multidimensional oxygen nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Adjei-Acheamfour, Mischa; Storek, Michael; Böhmer, Roland

2017-05-01

Previous deuteron nuclear magnetic resonance studies revealed conflicting evidence regarding the possible motional heterogeneity of the water dynamics on the hydrate lattice of an ice-like crystal. Using oxygen-17 nuclei as a sensitive quadrupolar probe, the reorientational two-time correlation function displays a clear nonexponentiality. To check whether this dispersive behavior is a consequence of dynamic heterogeneity or rather of an intrinsic nonexponentiality, a multidimensional, four-time magnetic resonance experiment was devised that is generally applicable to strongly quadrupolarly perturbed half-integer nuclei such as oxygen-17. Measurements of an appropriate four-time function demonstrate that it is possible to select a subensemble of slow water molecules. Its mean time scale is compared to theoretical predictions and evidence for significant motional heterogeneity is found.

Anisotropic phase diagram and spin fluctuations of the hyperkagome magnet Gd3Ga5O12 as revealed by sound velocity measurements

NASA Astrophysics Data System (ADS)

Rousseau, Alexandre; Parent, Jean-Michel; Quilliam, Jeffrey A.

2017-08-01

Sound velocity and attenuation measurements on the frustrated garnet material Gd3Ga5O12 (GGG) are presented as a function of field and temperature, with two different magnetic field orientations: [100 ] and [110 ] . We demonstrate that the phase diagram is highly anisotropic, with two distinct field-induced ordered phases for H ||[110 ] and only one for H ||[100 ] . Extensive lattice softening is found to occur at low fields, which can be associated with spin fluctuations. However, deep within the spin liquid phase a low-temperature stiffening of the lattice and reduced attenuation provide evidence for a spin gap which may be related to short-range antiferromagnetic correlations over minimal ten-spin loops.

Anisotropic thermal conduction with magnetic fields in galaxy clusters

NASA Astrophysics Data System (ADS)

Arth, Alexander; Dolag, Klaus; Beck, Alexander; Petkova, Margarita; Lesch, Harald

2015-08-01

Magnetic fields play an important role for the propagation and diffusion of charged particles, which are responsible for thermal conduction. In this poster, we present an implementation of thermal conduction including the anisotropic effects of magnetic fields for smoothed particle hydrodynamics (SPH). The anisotropic thermal conduction is mainly proceeding parallel to magnetic fields and suppressed perpendicular to the fields. We derive the SPH formalism for the anisotropic heat transport and solve the corresponding equation with an implicit conjugate gradient scheme. We discuss several issues of unphysical heat transport in the cases of extreme ansiotropies or unmagnetized regions and present possible numerical workarounds. We implement our algorithm into the cosmological simulation code GADGET and study its behaviour in several test cases. In general, we reproduce the analytical solutions of our idealised test problems, and obtain good results in cosmological simulations of galaxy cluster formations. Within galaxy clusters, the anisotropic conduction produces a net heat transport similar to an isotropic Spitzer conduction model with low efficiency. In contrast to isotropic conduction our new formalism allows small-scale structure in the temperature distribution to remain stable, because of their decoupling caused by magnetic field lines. Compared to observations, strong isotropic conduction leads to an oversmoothed temperature distribution within clusters, while the results obtained with anisotropic thermal conduction reproduce the observed temperature fluctuations well. A proper treatment of heat transport is crucial especially in the outskirts of clusters and also in high density regions. It's connection to the local dynamical state of the cluster also might contribute to the observed bimodal distribution of cool core and non cool core clusters. Our new scheme significantly advances the modelling of thermal conduction in numerical simulations and overall gives

Bulk diffusion in a kinetically constrained lattice gas

NASA Astrophysics Data System (ADS)

Arita, Chikashi; Krapivsky, P. L.; Mallick, Kirone

2018-03-01

In the hydrodynamic regime, the evolution of a stochastic lattice gas with symmetric hopping rules is described by a diffusion equation with density-dependent diffusion coefficient encapsulating all microscopic details of the dynamics. This diffusion coefficient is, in principle, determined by a Green-Kubo formula. In practice, even when the equilibrium properties of a lattice gas are analytically known, the diffusion coefficient cannot be computed except when a lattice gas additionally satisfies the gradient condition. We develop a procedure to systematically obtain analytical approximations for the diffusion coefficient for non-gradient lattice gases with known equilibrium. The method relies on a variational formula found by Varadhan and Spohn which is a version of the Green-Kubo formula particularly suitable for diffusive lattice gases. Restricting the variational formula to finite-dimensional sub-spaces allows one to perform the minimization and gives upper bounds for the diffusion coefficient. We apply this approach to a kinetically constrained non-gradient lattice gas in two dimensions, viz. to the Kob-Andersen model on the square lattice.

Anisotropic Strain Relaxation of Graphene by Corrugation on Copper Crystal Surfaces.

PubMed

Deng, Bing; Wu, Juanxia; Zhang, Shishu; Qi, Yue; Zheng, Liming; Yang, Hao; Tang, Jilin; Tong, Lianming; Zhang, Jin; Liu, Zhongfan; Peng, Hailin

2018-05-01

Corrugation is a ubiquitous phenomenon for graphene grown on metal substrates by chemical vapor deposition, which greatly affects the electrical, mechanical, and chemical properties. Recent years have witnessed great progress in controlled growth of large graphene single crystals; however, the issue of surface roughness is far from being addressed. Here, the corrugation at the interface of copper (Cu) and graphene, including Cu step bunches (CuSB) and graphene wrinkles, are investigated and ascribed to the anisotropic strain relaxation. It is found that the corrugation is strongly dependent on Cu crystallographic orientations, specifically, the packed density and anisotropic atomic configuration. Dense Cu step bunches are prone to form on loose packed faces due to the instability of surface dynamics. On an anisotropic Cu crystal surface, Cu step bunches and graphene wrinkles are formed in two perpendicular directions to release the anisotropic interfacial stress, as revealed by morphology imaging and vibrational analysis. Cu(111) is a suitable crystal face for growth of ultraflat graphene with roughness as low as 0.20 nm. It is believed the findings will contribute to clarifying the interplay between graphene and Cu crystal faces, and reducing surface roughness of graphene by engineering the crystallographic orientation of Cu substrates. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical investigation of nonlinear fluid-structure interaction dynamic behaviors under a general Immersed Boundary-Lattice Boltzmann-Finite Element method

NASA Astrophysics Data System (ADS)

Gong, Chun-Lin; Fang, Zhe; Chen, Gang

A numerical approach based on the immersed boundary (IB), lattice Boltzmann and nonlinear finite element method (FEM) is proposed to simulate hydrodynamic interactions of very flexible objects. In the present simulation framework, the motion of fluid is obtained by solving the discrete lattice Boltzmann equations on Eulerian grid, the behaviors of flexible objects are calculated through nonlinear dynamic finite element method, and the interactive forces between them are implicitly obtained using velocity correction IB method which satisfies the no-slip conditions well at the boundary points. The efficiency and accuracy of the proposed Immersed Boundary-Lattice Boltzmann-Finite Element method is first validated by a fluid-structure interaction (F-SI) benchmark case, in which a flexible filament flaps behind a cylinder in channel flow, then the nonlinear vibration mechanism of the cylinder-filament system is investigated by altering the Reynolds number of flow and the material properties of filament. The interactions between two tandem and side-by-side identical objects in a uniform flow are also investigated, and the in-phase and out-of-phase flapping behaviors are captured by the proposed method.

Anisotropic quantum quench in the presence of frustration or background gauge fields: A probe of bulk currents and topological chiral edge modes

NASA Astrophysics Data System (ADS)

Killi, Matthew; Trotzky, Stefan; Paramekanti, Arun

2012-12-01

Bosons and fermions, in the presence of frustration or background gauge fields, can form many-body ground states that support equilibrium charge or spin currents. Motivated by the experimental creation of frustration or synthetic gauge fields in ultracold atomic systems, we propose a general scheme by which making a sudden anisotropic quench of the atom tunneling across the lattice and tracking the ensuing density modulations provides a powerful and gauge-invariant route to probing diverse equilibrium current patterns. Using illustrative examples of trapped superfluid Bose and normal Fermi systems in the presence of artificial magnetic fluxes on square lattices, and frustrated bosons in a triangular lattice, we show that this scheme to probe equilibrium bulk current order works independent of particle statistics. We also show that such quenches can detect chiral edge modes in gapped topological states, such as quantum Hall or quantum spin Hall insulators.

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banerjee, Tanmoy, E-mail: tbanerjee@phys.buruniv.ac.in; Paul, Bishwajit; Sarkar, B. C.

2014-03-15

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strengthmore » the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.« less

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system.

PubMed

Banerjee, Tanmoy; Paul, Bishwajit; Sarkar, B C

2014-03-01

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system

NASA Astrophysics Data System (ADS)

Banerjee, Tanmoy; Paul, Bishwajit; Sarkar, B. C.

2014-03-01

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

Anisotropic Babinet-Invertible Metasurfaces to Realize Transmission-Reflection Switching for Orthogonal Polarizations of Light

NASA Astrophysics Data System (ADS)

Nakata, Yosuke; Urade, Yoshiro; Okimura, Kunio; Nakanishi, Toshihiro; Miyamaru, Fumiaki; Takeda, Mitsuo Wada; Kitano, Masao

2016-10-01

The electromagnetic properties of an extremely thin metallic checkerboard drastically change from resonant reflection (transmission) to resonant transmission (reflection) when the local electrical conductivity at the interconnection points of the checkerboard is switched. To date, such critical transitions of metasurfaces have been applied only when they have fourfold rotational symmetry, and their application to polarization control, which requires anisotropy, has been unexplored. To overcome this applicability limitation and open up alternative pathways for dynamic deep-subwavelength polarization control by utilizing critical transitions of checkerboardlike metasurfaces, we introduce a universal class of anisotropic Babinet-invertible metasurfaces enabling transmission-reflection switching for each orthogonally polarized wave. As an application of anisotropic Babinet-invertible metasurfaces, we experimentally realize a reconfigurable terahertz polarizer whose transmitting axis can be dynamically rotated by 90°.

Gate-tunable gigantic lattice deformation in VO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okuyama, D., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp; Hatano, T.; Nakano, M., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp

2014-01-13

We examined the impact of electric field on crystal lattice of vanadium dioxide (VO{sub 2}) in a field-effect transistor geometry by in-situ synchrotron x-ray diffraction measurements. Whereas the c-axis lattice parameter of VO{sub 2} decreases through the thermally induced insulator-to-metal phase transition, the gate-induced metallization was found to result in a significant increase of the c-axis length by almost 1% from that of the thermally stabilized insulating state. We also found that this gate-induced gigantic lattice deformation occurs even at the thermally stabilized metallic state, enabling dynamic control of c-axis lattice parameter by more than 1% at room temperature.

Topological dynamics and current-induced motion in a skyrmion lattice

NASA Astrophysics Data System (ADS)

Martinez, J. C.; Jalil, M. B. A.

2016-03-01

We study the Thiele equation for current-induced motion in a skyrmion lattice through two soluble models of the pinning potential. Comprised by a Magnus term, a dissipative term and a pinning force, Thiele’s equation resembles Newton’s law but in virtue of the topological character to the first, it differs significantly from Newtonian mechanics and because the Magnus force is dominant, unlike its mechanical counterpart—the Coriolis force—skyrmion trajectories do not necessarily have mechanical counterparts. This is important if we are to understand skyrmion dynamics and tap into its potential for data-storage technology. We identify a pinning threshold velocity for the one-dimensional pinning potential and for a two-dimensional attractive potential we find a pinning point and the skyrmion trajectories toward that point are spirals whose frequency (compare Kepler’s second law) and amplitude-decay depend only on the Gilbert constant and potential at the pinning point. Other scenarios, e.g. other choices of initial spin velocity, a repulsive potential, etc are also investigated.

Direct observation of anisotropic small-hole polarons in an orthorhombic structure of BiV O4 films

NASA Astrophysics Data System (ADS)

Chaudhuri, A.; Mandal, L.; Chi, X.; Yang, M.; Scott, M. C.; Motapothula, M.; Yu, X. J.; Yang, P.; Shao-Horn, Y.; Venkatesan, T.; Wee, A. T. S.; Rusydi, A.

2018-05-01

Here, we report an anisotropic small-hole polaron in an orthorhombic structure of BiV O4 films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of BiV O4 films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at V L3 ,2 edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of BiV O4 , hence its potential use as a photoanode for water splitting.

The I=2 ππ S-wave Scattering Phase Shift from Lattice QCD

DOE PAGES

Beane, S. R.; Chang, E.; Detmold, W.; ...

2012-02-16

The π +π + s-wave scattering phase-shift is determined below the inelastic threshold using Lattice QCD. Calculations were performed at a pion mass of m π ≈ 390 MeV with an anisotropic n f = 2+1 clover fermion discretization in four lattice volumes, with spatial extent L ≈ 2.0, 2.5, 3.0 and 3.9 fm, and with a lattice spacing of b s ≈ 0.123 fm in the spatial direction and b t b s/3.5 in the time direction. The phase-shift is determined from the energy-eigenvalues of π +π + systems with both zero and non-zero total momentum in the latticemore » volume using Luscher's method. Our calculations are precise enough to allow for a determination of the threshold scattering parameters, the scattering length a, the effective range r, and the shape-parameter P, in this channel and to examine the prediction of two-flavor chiral perturbation theory: m π 2 a r = 3+O(m π 2/Λ χ 2). Chiral perturbation theory is used, with the Lattice QCD results as input, to predict the scattering phase-shift (and threshold parameters) at the physical pion mass. Our results are consistent with determinations from the Roy equations and with the existing experimental phase shift data.« less

Effects of guest atomic species on the lattice thermal conductivity of type-I silicon clathrate studied via classical molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumagai, Tomohisa, E-mail: kumagai@criepi.denken.or.jp; Nakamura, Kaoru; Yamada, Susumu

The effects of guest atomic species in Si clathrates on the lattice thermal conductivity were studied using classical molecular dynamics calculations. The interaction between a host atom and a guest atom was described by the Morse potential function while that between host atoms was described by the Tersoff potential. The parameters of the potentials were newly determined for this study such that the potential curves obtained from first-principles calculations for the insertion of a guest atom into a Si cage were successfully reproduced. The lattice thermal conductivities were calculated by using the Green-Kubo method. The experimental lattice thermal conductivity ofmore » Ba{sub 8}Ga{sub 16}Si{sub 30} can be successfully reproduced using the method. As a result, the lattice thermal conductivities of type-I Si clathrates, M{sub 8}Si{sub 46} (M = Na, Mg, K, Ca Rb, Sr, Cs, or Ba), were obtained. It is found that the lattice thermal conductivities of M{sub 8}Si{sub 46}, where M is IIA elements (i.e., M = Mg, Ca, Sr, or Ba) tend to be lower than those of M{sub 8}Si{sub 46}, where M is IA elements (i.e., M = Na, K, Rb, or Cs). Those of {sup m}M{sub 8}Si{sub 46}, where m was artificially modified atomic weight were also obtained. The obtained lattice thermal conductivity can be regarded as a function of a characteristic frequency, f{sub c}. That indicates minimum values around f{sub c}=2-4 THz, which corresponds to the center of the frequencies of the transverse acoustic phonon modes associated with Si cages.« less

Lattice dynamics and thermal conductivity of lithium fluoride via first-principles calculations

NASA Astrophysics Data System (ADS)

Liang, Ting; Chen, Wen-Qi; Hu, Cui-E.; Chen, Xiang-Rong; Chen, Qi-Feng

2018-04-01

The lattice thermal conductivity of lithium fluoride (LiF) is accurately computed from a first-principles approach based on an iterative solution of the Boltzmann transport equation. Real-space finite-difference supercell approach is employed to generate the second- and third-order interatomic force constants. The related physical quantities of LiF are calculated by the second- and third- order potential interactions at 30 K-1000 K. The calculated lattice thermal conductivity 13.89 W/(m K) for LiF at room temperature agrees well with the experimental value, demonstrating that the parameter-free approach can furnish precise descriptions of the lattice thermal conductivity for this material. Besides, the Born effective charges, dielectric constants and phonon spectrum of LiF accord well with the existing data. The lattice thermal conductivities for the iterative solution of BTE are also presented.

I-Love-Q Anisotropically

NASA Astrophysics Data System (ADS)

Yagi, Kent; Yunes, Nicolas

2015-04-01

Recent work shows that rotating incompressible stars with anisotropic matter in the weak-field limit become prolate, which is rather counter-intuitive. We construct slowly-rotating, incompressible and anisotropic stellar solutions in full General Relativity valid to quadratic order in spin and show that the stellar shape shifts from prolate to oblate as one increases the relativistic effect. Anisotropic stars are also interesting because they can be more compact than isotropic stars, and can even be as compact as black holes. We present how stellar multipole moments approach the black hole limit as one increases the compactness, suggesting that they reach the black hole limit continuously.

Bethe lattice approach and relaxation dynamics study of spin-crossover materials

NASA Astrophysics Data System (ADS)

Oke, Toussaint Djidjoho; Hontinfinde, Félix; Boukheddaden, Kamel

2015-07-01

Dynamical properties of Prussian blue analogs and spin-crossover materials are investigated in the framework of a Blume-Emery-Griffiths (BEG) spin-1 model, where states ±1 and 0 represent the high-spin (HS) state and the low-spin state, respectively. The quadrupolar interaction depends on the temperature in the form . Magnetic interactions are controlled by a factor such that for (), magnetic ordering is not expected. The model is exactly solved using the Bethe lattice approach for the equilibrium properties. The results are closer to those calculated by numerical simulations with suitable Arrhenius-type transition rates. The study of relaxation processes of non-equilibrium HS states revealed one-step nonlinear sigmoidal relaxation curves of the HS fraction at low temperatures. We found that increasing the magnetic interactions leads to the appearance of a plateau in the thermal hysteresis as well as in the relaxation curves of the HS fraction at low temperature.

Fourth order discretization of anisotropic heat conduction operator

NASA Astrophysics Data System (ADS)

Krasheninnikova, Natalia; Chacon, Luis

2008-11-01

In magnetized plasmas, heat conduction plays an important role in such processes as energy confinement, turbulence, and a number of instabilities. As a consequence of the presence of a magnetic field, heat transport is strongly anisotropic, with energy flowing preferentially along the magnetic field direction. This in turn results in parallel and perpendicular heat conduction coefficients being separated by orders of magnitude. The computational difficulties in treating such heat conduction anisotropies are significant, as perpendicular dynamics numerically is polluted by the parallel one. In this work, we report on progress of the implementation of a fourth order, conservative finite volume discretization scheme for the anisotropic heat conduction operator into the extended MHD code PIXIE3D [1]. We will demonstrate its spatial discretization accuracy and its effectiveness with two physical applications of interest, both of which feature a strong sensitivity to the heat conduction anisotropy: the thermal instability and the neoclassical tearing mode. [1] L. Chacon Phys. Plasmas 15, 056103 (2008)

Alternate Lattice Design for Advanced Photon Source Multi-Bend Achromat Upgrade

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Yipeng; Borland, Michael

2015-01-01

A 67-pm hybrid-seven-bend achromat (H7BA) lattice is proposed for a futureAdvanced Photon Source (APS)multibend- achromat (MBA) upgrade. This lattice requires use of a swap-out (on-axis) injection scheme. Alternate lattice design work has also been performed to achieve better beam dynamics performance than the nominal APS MBA lattice, in order to allow beam accumulation. One of such alternate H7BA lattice designs, which still targets a very low emittance of 76 pm, is discussed in this paper. With these lattices, existing APS injector complex can be employed without the requirement of a very high charge operation. Studies show that an emittance belowmore » 76 pm can be achieved with the employment of reverse bends in an alternate lattice. We discuss the predicted performance and requirements for these lattices and compare them to the nominal lattice.« less

Polaronic Charge Carrier-Lattice Interactions in Lead Halide Perovskites.

PubMed

Wolf, Christoph; Cho, Himchan; Kim, Young-Hoon; Lee, Tae-Woo

2017-10-09

Almost ten years after the renaissance of the popular perovskite-type semiconductors based on lead salts with the general formula AMX 3 (A=organic or inorganic cation; M=divalent metal; X=halide), many facets of photophysics continue to puzzle researchers. In this Minireview, light is shed on the low mobilities of charge carriers in lead halide perovskites with special focus on the lattice properties at non-zero temperature. The polar and soft lattice leads to pronounced electron-phonon coupling, limiting carrier mobility and retarding recombination. We propose that the proper picture of excited charge carriers at temperature ranges that are relevant for device operations is that of a polaron, with Fröhlich coupling constants between 1<α<3. Under the aspect of light-emitting diode application, APbX 3 perovskite show moderate second order (bimolecular) recombination rates and high third-order (Auger) rate constants. It has become apparent that this is a direct consequence of the anisotropic polar A-site cation in organic-inorganic hybrid perovskites and might be alleviated by replacing the organic moiety with an isotropic cation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Layer Anti-Ferromagnetism on Bilayer Honeycomb Lattice

PubMed Central

Tao, Hong-Shuai; Chen, Yao-Hua; Lin, Heng-Fu; Liu, Hai-Di; Liu, Wu-Ming

2014-01-01

Bilayer honeycomb lattice, with inter-layer tunneling energy, has a parabolic dispersion relation, and the inter-layer hopping can cause the charge imbalance between two sublattices. Here, we investigate the metal-insulator and magnetic phase transitions on the strongly correlated bilayer honeycomb lattice by cellular dynamical mean-field theory combined with continuous time quantum Monte Carlo method. The procedures of magnetic spontaneous symmetry breaking on dimer and non-dimer sites are different, causing a novel phase transition between normal anti-ferromagnet and layer anti-ferromagnet. The whole phase diagrams about the magnetism, temperature, interaction and inter-layer hopping are obtained. Finally, we propose an experimental protocol to observe these phenomena in future optical lattice experiments. PMID:24947369

Lattice Boltzmann model for numerical relativity.

PubMed

Ilseven, E; Mendoza, M

2016-02-01

In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.

Dynamics and Control of Articulated Anisotropic Timoshenko Beams

NASA Technical Reports Server (NTRS)

Balakrishnan, A. V.

1996-01-01

The paper illustrates the use of continuum models in control design for stabilizing flexible structures. A 6-DOF anisotropic Timoshenko beam with discrete nodes where lumped masses or actuators are located provides a sufficiently rich model to be of interest for mathematical theory as well as practical application. We develop concepts and tools to help answer engineering questions without having to resort to ad hoc heuristic ("physical") arguments or faith. In this sense the paper is more mathematically oriented than engineering papers and vice versa at the same time. For instance we make precise time-domain solutions using the theory of semigroups of operators rather than formal "inverse Laplace transforms." We show that the modes arise as eigenvalues of the generator of the semigroup, which are then related to the eigenvalues of the stiffness operator. With the feedback control, the modes are no longer orthogonal and the question naturally arises as to whether there is still a modal expansion. Here we prove that the eigenfunctions yield a biorthogonal Riesz basis and indicate the corresponding expansion. We prove mathematically that the number of eigenvalues is nonfinite, based on the theory of zeros of entire functions. We make precise the notion of asymptotic modes and indicate how to calculate them. Although limited by space, we do consider the root locus problem and show for instance that the damping at first increases as the control gain increases but starts to decrease at a critical value, and goes to zero as the gain increases without bound. The undamped oscillatory modes remain oscillatory and the rigid-body modes go over into deadbeat modes. The Timoshenko model dynamics are translated into a canonical wave equation in a Hilbert space. The solution is shown to require the use of an "energy" norm which is no more than the total energy: potential plus kinetic. We show that, under an appropriate extension of the notion of controllability, rate feedback with

Lattice surgery on the Raussendorf lattice

NASA Astrophysics Data System (ADS)

Herr, Daniel; Paler, Alexandru; Devitt, Simon J.; Nori, Franco

2018-07-01

Lattice surgery is a method to perform quantum computation fault-tolerantly by using operations on boundary qubits between different patches of the planar code. This technique allows for universal planar code computation without eliminating the intrinsic two-dimensional nearest-neighbor properties of the surface code that eases physical hardware implementations. Lattice surgery approaches to algorithmic compilation and optimization have been demonstrated to be more resource efficient for resource-intensive components of a fault-tolerant algorithm, and consequently may be preferable over braid-based logic. Lattice surgery can be extended to the Raussendorf lattice, providing a measurement-based approach to the surface code. In this paper we describe how lattice surgery can be performed on the Raussendorf lattice and therefore give a viable alternative to computation using braiding in measurement-based implementations of topological codes.

Femtosecond Dynamics of the Photo-Induced Lattice Rearrangements in Quasi-One Halogen-Bridged Platinum Complexes

NASA Astrophysics Data System (ADS)

Suemoto, Tohru; Tomimoto, Shinichi; Matsuoka, Taira

Recent developments in femtosecond dynamics of the photoexcited state in quasi-one-dimensional platinum complexes [Pt(en)2][Pt(en)2X2] (ClO4)4 with X = Cl, Br and I are reviewed. The experimental results of time-resolved luminescence spectroscopy based on up-conversion technique are presented and analyzed in terms of a theory of wave-packet motion. An attempt to make a movie of wave-packet motion is mentioned. In Sec. 1, a brief introduction to the dynamics of the excited states in quasi-one-dimensional platinum complexes is given. It is stressed that this system can be a good model system for investigating the photo-induced structural phase transition. In order to describe a one-dimensional chain consisting of metal ions and halogen ions, the extended Peierls-Hubbard model is introduced in Sec. 2. The theoretical model of the relaxation dynamics in the excited states with a strong electron-lattice coupling is given in Sec. 3. The model is based on the interaction mode, which is appropriate for understanding the vibrational relaxation of localized centers in solids. Experimental backgrounds with some historical survey are given in Sec. 4. The recent experimental results of time-resolved luminescence for Pt-Cl, Pt-Br and Pt-I systems are presented in Secs. 5 to 8. The main result contains the direct observation of the wave-packet oscillation in the self-trapped excitons. The relaxation process observed in experiments has been successfully interpreted in terms of the model based on the interaction mode and the dynamical aspects are compared with the transient absorption measurements. The lifetime of the STE is shorter in Pt-X with heavier halogen ions. This behavior is discussed in relation with the non-radiative process leading to lattice rearrangements. In Secs. 9 and 10, visualization of the wave-packet form is presented. The basic behavior of the wave-packet is well understood in terms of a harmonic oscillator model. A non-exponential decay profiles are revealed

Anisotropic Thermal Expansion of Zirconium Diboride: An Energy-Dispersive X-Ray Diffraction Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paxton, William A.; Özdemir, Tevfik E.; Şavklıyıldız, İlyas

Zirconiumore » m diboride (ZrB 2) is an attractive material due to its thermal and electrical properties. In recent years, ZrB 2has been investigated as a superior replacement for sapphire when used as a substrate for gallium nitride devices. Like sapphire, ZrB 2has an anisotropic hexagonal structure which defines its directionally dependent properties. However, the anisotropic behavior of ZrB 2is not well understood. In this paper, we use energy-dispersive synchrotron X-ray diffraction to measure the thermal expansion of polycrystalline ZrB 2powder from 300 to 1150 K. Nine Bragg reflections are fit using Pseudo-Voigt peak profiles and used to compute the a and c lattice parameters using a nonlinear least-squares approximation. The temperature-dependent instantaneous thermal expansion coefficients are determined for each a -axis and c -axis direction and are described by the following equations: α a = ( 4.1507 × 10 - 6 + 5.1086 × 10 - 9 ( T - 293.15 ) )/( 1 + 4.1507 × 10 - 6 ( T - 293.15 ) + 2.5543 × 10 - 9 ( T - 293.15 ) 2 ) and α c = ( 4.5374 × 10 - 6 + 4.3004 × 10 - 9 ( T - 293.15 ) )/( 1 + 4.5374 × 10 - 6 ( T - 293.15 ) + 2.1502 × 10 - 9 ( T - 293.15 ) 2 ). Our results are within range of previously reported values but describe the temperature anisotropy in more detail. We show that anisotropic expansion coefficients converge to the same value at about 780 K and diverge at higher temperatures. Results are compared with other reported values.« less

Precision-Trimming 2D Inverse-Opal Lattice on Elastomer to Ordered Nanostructures with Variable Size and Morphology.

PubMed

Zhan, Haoran; Chen, Yanqiu; Liu, Yu; Lau, Woonming; Bao, Chao; Li, Minggan; Lu, Yunlong; Mei, Jun; Hui, David

2017-05-23

A low-cost and scalable method is developed for producing large-area elastomer surfaces having ordered nanostructures with a variety of lattice features controllable to nanometer precision. The method adopts the known technique of molding a PDMS precursor film with a close-packed monolayer of monodisperse submicron polystyrene beads on water to form an inverse-opal dimple lattice with the dimple size controlled by the bead selection and the dimple depth by the molding condition. The subsequent novel precision engineering of the inverse-opal lattice comprises trimming the PDMS precursor by a combination of polymer curing temperature/time and polymer dissolution parameters. The resultant ordered surface nanostructures, fabricated with an increasing degree of trimming, include (a) submicron hemispherical dimples with nanothin interdimple rims and walls; (b) nanocones with variable degrees of tip-sharpness by trimming off the top part of the nanothin interdimple walls; and (c) soup-plate-like submicron shallow dimples with interdimple rims and walls by anisotropically trimming off the nanocones and forming close-packed shallow dimples. As exemplars of industrial relevance of these lattice features, tunable Young's modulus and wettability are demonstrated.

Anisotropic Grid Generation

DTIC Science & Technology

2016-03-24

AFRL-AFOSR-VA-TR-2016-0129 ANISOTROPIC GRID GENERATION | Deliverables Daniel Sievenpiper UNIVERSITY OF CALIFORNIA SAN DIEGO Final Report 03/24/2016...ORGANIZATION. 1. REPORT DATE (DD-MM-YYYY) 12-03-2016 2 . REPORT TYPE Final report 3. DATES COVERED (From - To) 15-12-2012 - 14-12-2015 4. TITLE AND...SUBTITLE Anisotropic Grid Generation 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA9550-13-1-0014 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Daniel

Grand-canonical solution of semiflexible self-avoiding trails on the Bethe lattice.

PubMed

Dantas, W G; Oliveira, Tiago J; Stilck, Jürgen F; Prellberg, Thomas

2017-02-01

We consider a model of semiflexible interacting self-avoiding trails (sISATs) on a lattice, where the walks are constrained to visit each lattice edge at most once. Such models have been studied as an alternative to the self-attracting self-avoiding walks (SASAWs) to investigate the collapse transition of polymers, with the attractive interactions being on site as opposed to nearest-neighbor interactions in SASAWs. The grand-canonical version of the sISAT model is solved on a four-coordinated Bethe lattice, and four phases appear: non-polymerized (NP), regular polymerized (P), dense polymerized (DP), and anisotropic nematic (AN), the last one present in the phase diagram only for sufficiently stiff chains. The last two phases are dense, in the sense that all lattice sites are visited once in the AN phase and twice in the DP phase. In general, critical NP-P and DP-P transition surfaces meet with a NP-DP coexistence surface at a line of bicritical points. The region in which the AN phase is stable is limited by a discontinuous critical transition to the P phase, and we study this somewhat unusual transition in some detail. In the limit of rods, where the chains are totally rigid, the P phase is absent and the three coexistence lines (NP-AN, AN-DP, and NP-DP) meet at a triple point, which is the endpoint of the bicritical line.

A new multiscale air quality transport model (Fluidity, 4.1.9) using fully unstructured anisotropic adaptive mesh technology

NASA Astrophysics Data System (ADS)

Zheng, J.; Zhu, J.; Wang, Z.; Fang, F.; Pain, C. C.; Xiang, J.

2015-06-01

A new anisotropic hr-adaptive mesh technique has been applied to modelling of multiscale transport phenomena, which is based on a discontinuous Galerkin/control volume discretization on unstructured meshes. Over existing air quality models typically based on static-structured grids using a locally nesting technique, the advantage of the anisotropic hr-adaptive model has the ability to adapt the mesh according to the evolving pollutant distribution and flow features. That is, the mesh resolution can be adjusted dynamically to simulate the pollutant transport process accurately and effectively. To illustrate the capability of the anisotropic adaptive unstructured mesh model, three benchmark numerical experiments have been setup for two-dimensional (2-D) transport phenomena. Comparisons have been made between the results obtained using uniform resolution meshes and anisotropic adaptive resolution meshes.

Dicke superradiance as nondestructive probe for the state of atoms in optical lattices

NASA Astrophysics Data System (ADS)

ten Brinke, Nicolai; Schützhold, Ralf

2016-04-01

We present a proposal for a probing scheme utilizing Dicke superradiance to obtain information about ultracold atoms in optical lattices. A probe photon is absorbed collectively by an ensemble of lattice atoms generating a Dicke state. The lattice dynamics (e.g., tunneling) affects the coherence properties of that Dicke state and thus alters the superradiant emission characteristics - which in turn provides insight into the lattice (dynamics). Comparing the Bose-Hubbard and the Fermi-Hubbard model, we find similar superradiance in the strongly interacting Mott insulator regime, but crucial differences in the weakly interacting (superfluid or metallic) phase. Furthermore, we study the possibility to detect whether a quantum phase transition between the two regimes can be considered adiabatic or a quantum quench.

Complex-time singularity and locality estimates for quantum lattice systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bouch, Gabriel

2015-12-15

We present and prove a well-known locality bound for the complex-time dynamics of a general class of one-dimensional quantum spin systems. Then we discuss how one might hope to extend this same procedure to higher dimensions using ideas related to the Eden growth process and lattice trees. Finally, we demonstrate with a specific family of lattice trees in the plane why this approach breaks down in dimensions greater than one and prove that there exist interactions for which the complex-time dynamics blows-up in finite imaginary time. .

Effect of bulk Lorentz violation on anisotropic brane cosmologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heydari-Fard, Malihe, E-mail: heydarifard@qom.ac.ir

2012-04-01

The effect of Lorentz invariance violation in cosmology has attracted a considerable amount of attention. By using a dynamical vector field assumed to point in the bulk direction, with Lorentz invariance holding on the brane, we extend the notation of Lorentz violation in four dimensions Jacobson to a five-dimensional brane-world. We obtain the general solution of the field equations in an exact parametric form for Bianchi type I space-time, with perfect fluid as a matter source. We show that the brane universe evolves from an isotropic/anisotropic state to an isotropic de Sitter inflationary phase at late time. The early timemore » behavior of anisotropic brane universe is largely dependent on the Lorentz violating parameters β{sub i},i = 1,2,3 and the equation of state of the matter, while its late time behavior is independent of these parameters.« less

Dark State Optical Lattice with a Subwavelength Spatial Structure

NASA Astrophysics Data System (ADS)

Wang, Y.; Subhankar, S.; Bienias, P.; ŁÄ cki, M.; Tsui, T.-C.; Baranov, M. A.; Gorshkov, A. V.; Zoller, P.; Porto, J. V.; Rolston, S. L.

2018-02-01

We report on the experimental realization of a conservative optical lattice for cold atoms with a subwavelength spatial structure. The potential is based on the nonlinear optical response of three-level atoms in laser-dressed dark states, which is not constrained by the diffraction limit of the light generating the potential. The lattice consists of a one-dimensional array of ultranarrow barriers with widths less than 10 nm, well below the wavelength of the lattice light, physically realizing a Kronig-Penney potential. We study the band structure and dissipation of this lattice and find good agreement with theoretical predictions. Even on resonance, the observed lifetimes of atoms trapped in the lattice are as long as 44 ms, nearly 1 05 times the excited state lifetime, and could be further improved with more laser intensity. The potential is readily generalizable to higher dimensions and different geometries, allowing, for example, nearly perfect box traps, narrow tunnel junctions for atomtronics applications, and dynamically generated lattices with subwavelength spacings.

Optical lattice-like cladding waveguides by direct laser writing: fabrication, luminescence, and lasing.

PubMed

Nie, Weijie; He, Ruiyun; Cheng, Chen; Rocha, Uéslen; Rodríguez Vázquez de Aldana, Javier; Jaque, Daniel; Chen, Feng

2016-05-15

We report on the fabrication of optical lattice-like waveguide structures in an Nd:YAP laser crystal by using direct femtosecond laser writing. With periodically arrayed laser-induced tracks, the waveguiding cores can be located in either the regions between the neighbored tracks or the central zone surrounded by a number of tracks as outer cladding. The polarization of the femtosecond laser pulses for the inscription has been found to play a critical role in the anisotropic guiding behaviors of the structures. The confocal photoluminescence investigations reveal different stress-induced modifications of the structures inscribed by different polarization of the femtosecond laser beam, which are considered to be responsible for the refractive index changes of the structures. Under optical pump at 808 nm, efficient waveguide lasing at ∼1  μm wavelength has been realized from the optical lattice-like structure, which exhibits potential applications as novel miniature light sources.

Polarized-neutron investigation of magnetic ordering and spin dynamics in BaCo2(AsO4)2 frustrated honeycomb-lattice magnet.

PubMed

Regnault, L-P; Boullier, C; Lorenzo, J E

2018-01-01

The magnetic properties of the cobaltite BaCo 2 (AsO 4 ) 2 , a good realization of the quasi two-dimensional frustrated honeycomb-lattice system with strong planar anisotropy, have been reinvestigated by means of spherical neutron polarimetry with CRYOPAD. From accurate measurements of polarization matrices both on elastic and inelastic contributions as a function of the scattering vector Q , we have been able to determine the low-temperature magnetic structure of BaCo 2 (AsO 4 ) 2 and reveal its puzzling in-plane spin dynamics. Surprisingly, the ground-state structure (described by an incommensurate propagation vector [Formula: see text], with [Formula: see text] and [Formula: see text]) appears to be a quasi-collinear structure, and not a simple helix, as previously determined. In addition, our results have revealed the existence of a non-negligible out-of-plane moment component [Formula: see text]/Co 2+ , representing about 10% of the in-plane component, as demonstrated by the presence of finite off-diagonal elements [Formula: see text] and [Formula: see text] of the polarization matrix, both on elastic and inelastic magnetic contributions. Despite a clear evidence of the existence of a slightly inelastic contribution of structural origin superimposed to the magnetic excitations at the scattering vectors [Formula: see text] and [Formula: see text] (energy transfer [Formula: see text] meV), no strong inelastic nuclear-magnetic interference terms could be detected so far, meaning that the nuclear and magnetic degrees of freedom have very weak cross-correlations. The strong inelastic [Formula: see text] and [Formula: see text] matrix elements can be understood by assuming that the magnetic excitations in BaCo 2 (AsO 4 ) 2 are spin waves associated with trivial anisotropic precessions of the magnetic moments involved in the canted incommensurate structure.

Mach Cones in a Coulomb Lattice and a Dusty Plasma

NASA Astrophysics Data System (ADS)

Samsonov, D.; Goree, J.; Ma, Z. W.; Bhattacharjee, A.; Thomas, H. M.; Morfill, G. E.

1999-11-01

Mach cones, or V-shaped disturbances created by supersonic objects, have been detected in a two-dimensional Coulomb crystal. Electrically charged microspheres levitated in a glow-discharge plasma formed a dusty plasma, with particles arranged in a hexagonal lattice in a horizontal plane. Beneath this lattice plane, a sphere moved faster than the lattice sound speed. Mach cones were double, first compressive then rarefactive, due to the strongly coupled crystalline state. Molecular dynamics simulations using a Yukawa potential also show multiple Mach cones.

Robust thermal quantum correlation and quantum phase transition of spin system on fractal lattices

NASA Astrophysics Data System (ADS)

Xu, Yu-Liang; Zhang, Xin; Liu, Zhong-Qiang; Kong, Xiang-Mu; Ren, Ting-Qi

2014-06-01

We investigate the quantum correlation measured by quantum discord (QD) for thermalized ferromagnetic Heisenberg spin systems in one-dimensional chains and on fractal lattices using the decimation renormalization group approach. It is found that the QD between two non-nearest-neighbor end spins exhibits some interesting behaviors which depend on the anisotropic parameter Δ, the temperature T, and the size of system L. With increasing Δ continuously, the QD possesses a cuspate change at Δ = 0 which is a critical point of quantum phase transition (QPT). There presents the "regrowth" tendency of QD with increasing T at Δ < 0, in contrast to the "growth" of QD at Δ > 0. As the size of the system L becomes large, there still exists considerable thermal QD between long-distance end sites in spin chains and on the fractal lattices even at unentangled states, and the long-distance QD can spotlight the presence of QPT. The robustness of QD on the diamond-type hierarchical lattices is stronger than that in spin chains and Koch curves, which indicates that the fractal can affect the behaviors of quantum correlation.

Lattice dynamics and metastability of fcc metals in the hcp structure and the crucial role of spin-orbit coupling in platinum

NASA Astrophysics Data System (ADS)

Schönecker, Stephan; Li, Xiaoqing; Richter, Manuel; Vitos, Levente

2018-06-01

We investigate the lattice dynamical properties of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au in the nonequilibrium hcp structure by means of density-functional simulations, wherein spin-orbit coupling (SOC) was considered for Ir, Pt, and Au. The determined dynamical properties reveal that all eight elements possess a metastable hcp phase at zero temperature and pressure. The hcp Ni, Cu, Rh, Pd, and Au previously observed in nanostructures support this finding. We make evident that the inclusion of SOC is mandatory for an accurate description of the phonon dispersion relations and dynamical stability of hcp Pt. The underlying sensitivity of the interatomic force constants is ascribed to a SOC-induced splitting of degenerate band states accompanied by a pronounced reduction of electronic density of states at the Fermi level. To give further insight into the importance of SOC in Pt, we (i) focus on phase stability and examine a lattice transformation related to optical phonons in the hcp phase and (ii) focus on the generalized stacking fault energy (GSFE) of the fcc phase pertinent to crystal plasticity. We show that the intrinsic stable and unstable fault energies of the GSFE scale as in other common fcc metals, provided that the spin-orbit interaction is taken into account.

On Traveling Waves in Lattices: The Case of Riccati Lattices

NASA Astrophysics Data System (ADS)

Dimitrova, Zlatinka

2012-09-01

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

Mode-coupling of interaction quenched ultracold bosons in periodically driven lattices

NASA Astrophysics Data System (ADS)

Mistakidis, Simeon; Schmelcher, Peter

2016-05-01

The out-of-equilibrium dynamics of interaction quenched finite ultracold bosonic ensembles in periodically driven one-dimensional optical lattices is investigated. As a first attempt a brief analysis of the dynamics caused exclusively by the periodically driven lattice is presented and the induced low-lying modes are introduced. It is shown that the periodic driving enforces the bosons in the outer wells to exhibit out-of-phase dipole-like modes, while in the central well the cloud experiences a local-breathing mode. The dynamical behavior of the system is investigated with respect to the driving frequency, revealing a resonant-like behavior of the intra-well dynamics. Subsequently, we drive the system to a highly non-equilibrium state by performing an interaction quench upon the periodically driven lattice. This protocol gives rise to admixtures of excitations in the outer wells, an enhanced breathing in the center and an amplification of the tunneling dynamics. As a result (of the quench) the system experiences multiple resonances between the inter- and intra-well dynamics at different quench amplitudes. Finally, our study reveals that the position of the resonances can be adjusted e.g. via the driving frequency or the atom number manifesting their many-body nature. Deutsche Forschungsgemeinschaft (DFG) in the framework of the SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

Detecting the BCS pairing amplitude via a sudden lattice ramp in a honeycomb lattice

NASA Astrophysics Data System (ADS)

Tiesinga, Eite; Nuske, Marlon; Mathey, Ludwig

2016-05-01

We determine the exact time evolution of an initial Bardeen-Cooper-Schrieffer (BCS) state of ultra-cold atoms in a hexagonal optical lattice. The dynamical evolution is triggered by ramping the lattice potential up, such that the interaction strength Uf is much larger than the hopping amplitude Jf. The quench initiates collective oscillations with frequency | Uf | /(2 π) in the momentum occupation numbers and imprints an oscillating phase with the same frequency on the order parameter Δ. The latter is not reproduced by treating the time evolution in mean-field theory. The momentum density-density or noise correlation functions oscillate at frequency | Uf | /(2 π) as well as its second harmonic. For a very deep lattice, with negligible tunneling energy, the oscillations of momentum occupation numbers are undamped. Non-zero tunneling after the quench leads to dephasing of the different momentum modes and a subsequent damping of the oscillations. This occurs even for a finite-temperature initial BCS state, but not for a non-interacting Fermi gas. We therefore propose to use this dephasing to detect a BCS state. Finally, we predict that the noise correlation functions in a honeycomb lattice will develop strong anti-correlations near the Dirac point. We acknowledge funding from the National Science Foundation.

Solution of semi-flexible self-avoiding trails on a Husimi lattice built with squares

NASA Astrophysics Data System (ADS)

Oliveira, Tiago J.; Dantas, Wellington G.; Prellberg, Thomas; Stilck, Jürgen F.

2018-02-01

We study a model of semi-flexible self-avoiding trails, where the lattice paths are constrained to visit each lattice edge at most once, with configurations weighted by the number of collisions, crossings and bends, on a Husimi lattice built with squares. We find a rich phase diagram with five phases: a non-polymerised phase (NP), low density (P1) and high density (P2) polymerised phases, and, for sufficiently large stiffness, two additional anisotropic (nematic) (AN1 and AN2) polymerised phases within the P1 phase. Moreover, the AN1 phase which shows a broken symmetry with a preferential direction, is separated from the P1 phase by the other nematic AN2 phase. Although this scenario is similar to what was found in our previous calculation on the Bethe lattice, where the AN-P1 transition was discontinuous and critical, the presence of the additional nematic phase between them introduces a qualitative difference. Other details of the phase diagram are that a line of tri-critical points may separate the P1-P2 transition surface into a continuous and a discontinuous portion, and that the same may happen at the NP-P1 transition surface, details of which depend on whether crossings are allowed or forbidden. A critical end-point line is also found in the phase diagram.

Hot accretion flow with anisotropic viscosity

NASA Astrophysics Data System (ADS)

Wu, Mao-Chun; Bu, De-Fu; Gan, Zhao-Ming; Yuan, Ye-Fei

2017-12-01

In extremely low accretion rate systems, the ion mean-free path can be much larger than the gyroradius. Therefore, gas pressure is anisotropic with respect to magnetic field lines. The effects of pressure anisotropy can be modeled by an anisotropic viscosity with respect to magnetic field lines. Angular momentum can be transferred by anisotropic viscosity. In this paper, we investigate hot accretion flow with anisotropic viscosity. We consider the case that anisotropic viscous stress is much larger than Maxwell stress. We find that the flow is convectively unstable. We also find that the mass inflow rate decreases towards a black hole. Wind is very weak; its mass flux is 10-15% of the mass inflow rate. The inward decrease of inflow rate is mainly due to convective motions. This result may be useful to understand the accretion flow in the Galactic Center Sgr A* and M 87 galaxy.

Fourfold symmetric anisotropic magnetoresistance in half-metallic Co2MnSi Heusler alloy thin films

NASA Astrophysics Data System (ADS)

Oogane, Mikihiko; McFadden, Anthony P.; Kota, Yohei; Brown-Heft, Tobias L.; Tsunoda, Masakiyo; Ando, Yasuo; Palmstrøm, Chris J.

2018-06-01

In this study, we systematically investigated the anisotropic magnetoresistance (AMR) effect in half-metallic Co2MnSi Heusler alloy films epitaxially grown by molecular beam epitaxy. The fourfold symmetric AMR was observed in the temperature range of 25–275 K. In addition, the films exhibited a marked change in twofold symmetric AMR below 100 K. This specific temperature dependence of the AMR effect in Co2MnSi films can be caused by the tetragonal crystal field because of the distortion of the lattice at low temperatures. The influence of tetragonal distortion on both the AMR effect and half-metallicity is also discussed by first-principles calculations.

Wetting state and maximum spreading factor of microdroplets impacting on superhydrophobic textured surfaces with anisotropic arrays of pillars

NASA Astrophysics Data System (ADS)

Kwon, Dae Hee; Huh, Hyung Kyu; Lee, Sang Joon

2013-07-01

The dynamic behaviors of microdroplets that impact on textured surfaces with various patterns of microscale pillars are experimentally investigated in this study. A piezoelectric inkjet is used to generate the microdroplets that have a diameter of less than 46 μm and a controlled Weber number. The impact and spreading dynamics of an individual droplet are captured by using a high-speed imaging system. The anisotropic and directional wettability and the wetting states on the textured surfaces with anisotropically arranged pillars are revealed for the first time in this study. The impalement transition from the Cassie-Baxter state to the partially impaled state is evaluated by balancing the wetting pressure P wet and the capillary pressure P C even on the anisotropic textured surfaces. The maximum spreading factor is measured and compared with the theoretical prediction to elucidate the wettability of the textured surfaces. For a given Weber number, the maximum spreading factor decreases as the texture area fraction of the textured surface decreases. In addition, the maximum spreading factors along the direction of longer inter-pillar spacing always have smaller values than those along the direction of shorter inter-pillar spacing when a droplet impacts on the anisotropic arrays of pillars.

Lattice dynamics and electron/phonon interactions in epitaxial transition-metal nitrides

NASA Astrophysics Data System (ADS)

Mei, Antonio Rodolph Bighetti

Transition metal (TM) nitrides, due to their unique combination of remarkable physical properties and simple NaCl structure, are presently utilized in a broad range of applications and as model systems in the investigation of complex phenomena. Group-IVB nitrides TiN, ZrN, and HfN have transport properties which include superconductivity and high electrical conductivity; consequentially, they have become technologically important as electrodes and contacts in the semiconducting and superconducting industries. The Group-VB nitride VN, which exhibits enhanced ductility, is a fundamental component in superhard and tough nanostructured hard coatings. In this thesis, I investigate the lattice dynamics responsible for controlling superconductivity and electrical conductivities in Group-IVB nitrides and elasticity and structural stability of the NaCl-structure Group-VB nitride VN. Our group has already synthesized high-quality epitaxial TiN, HfN, and CeN layers on MgO(001) substrates. By irradiating the growth surface with high ion fluxes at energies below the bulk lattice-atom displacement threshold, dense epitaxial single crystal TM nitride films with extremely smooth surfaces have been grown using ultra-high vacuum magnetically-unbalanced magnetron sputter deposition. Using this approach, I completed the Group-IVB nitride series by growing epitaxial ZrN/MgO(001) films and then grew Group-VB nitride VN films epitaxially on MgO(001), MgO(011), and MgO(111). The combination of high-resolution x-ray diffraction (XRD) reciprocal lattice maps (RLMs), high-resolution cross-sectional transmission electron microscopy (HR-XTEM), and selected-area electron diffraction (SAED) show that single-crystal stoichiometric ZrN films grown at 450 °C are epitaxially oriented cube-on-cube with respect to their MgO(001) substrates, (001) ZrN||(001)MgO and [100]ZrN||[100]MgO. The layers are essentially fully relaxed with a lattice parameter of 0.4575 nm. X-ray reflectivity results reveal that

Coherent manipulation of dipolar coupled spins in an anisotropic environment

NASA Astrophysics Data System (ADS)

Baibekov, E. I.; Gafurov, M. R.; Zverev, D. G.; Kurkin, I. N.; Malkin, B. Z.; Barbara, B.

2014-11-01

We study coherent dynamics in a system of dipolar coupled spin qubits diluted in a solid and subjected to a driving microwave field. In the case of rare earth ions, an anisotropic crystal background results in anisotropic g tensor and thus modifies the dipolar coupling. We develop a microscopic theory of spin relaxation in a transient regime for the frequently encountered case of axially symmetric crystal field. The calculated decoherence rate is nonlinear in the Rabi frequency. We show that the direction of a static magnetic field that corresponds to the highest spin g factor is preferable in order to obtain a higher number of coherent qubit operations. The results of calculations are in excellent agreement with our experimental data on Rabi oscillations recorded for a series of CaW O4 crystals with different concentrations of N d3 + ions.

A crossover in anisotropic nanomechanochemistry of van der Waals crystals

NASA Astrophysics Data System (ADS)

Shimamura, Kohei; Misawa, Masaaki; Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Shimojo, Fuyuki; Vashishta, Priya

2015-12-01

In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10-13 s from the passage of shock front, lateral collision produces NO2 via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10-12 s, shock normal to multilayers becomes more reactive, producing H2O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies.

Materials science. Dynamic mechanical behavior of multilayer graphene via supersonic projectile penetration.

PubMed

Lee, Jae-Hwang; Loya, Phillip E; Lou, Jun; Thomas, Edwin L

2014-11-28

Multilayer graphene is an exceptional anisotropic material due to its layered structure composed of two-dimensional carbon lattices. Although the intrinsic mechanical properties of graphene have been investigated at quasi-static conditions, its behavior under extreme dynamic conditions has not yet been studied. We report the high-strain-rate behavior of multilayer graphene over a range of thicknesses from 10 to 100 nanometers by using miniaturized ballistic tests. Tensile stretching of the membrane into a cone shape is followed by initiation of radial cracks that approximately follow crystallographic directions and extend outward well beyond the impact area. The specific penetration energy for multilayer graphene is ~10 times more than literature values for macroscopic steel sheets at 600 meters per second. Copyright © 2014, American Association for the Advancement of Science.

Quantitative analysis of backbone dynamics in a crystalline protein from nitrogen-15 spin-lattice relaxation.

PubMed

Giraud, Nicolas; Blackledge, Martin; Goldman, Maurice; Böckmann, Anja; Lesage, Anne; Penin, François; Emsley, Lyndon

2005-12-28

A detailed analysis of nitrogen-15 longitudinal relaxation times in microcrystalline proteins is presented. A theoretical model to quantitatively interpret relaxation times is developed in terms of motional amplitude and characteristic time scale. Different averaging schemes are examined in order to propose an analysis of relaxation curves that takes into account the specificity of MAS experiments. In particular, it is shown that magic angle spinning averages the relaxation rate experienced by a single spin over one rotor period, resulting in individual relaxation curves that are dependent on the orientation of their corresponding carousel with respect to the rotor axis. Powder averaging thus leads to a nonexponential behavior in the observed decay curves. We extract dynamic information from experimental decay curves, using a diffusion in a cone model. We apply this study to the analysis of spin-lattice relaxation rates of the microcrystalline protein Crh at two different fields and determine differential dynamic parameters for several residues in the protein.

Matter-wave propagation in optical lattices: geometrical and flat-band effects

DOE PAGES

Metcalf, Mekena; Chern, Gia-Wei; Di Ventra, Massimiliano; ...

2016-03-17

Here we report that the geometry of optical lattices can be engineered allowing the study of atomic transport along paths arranged in patterns that are otherwise difficult to probe in the solid state. A question feasible to atomic systems is related to the speed of propagation of matter-waves as a function of the lattice geometry. To address this issue, we have investigated theoretically the quantum transport of non-interacting and weakly-interacting ultracold fermionic atoms in several 2D optical lattice geometries. We find that the triangular lattice has a higher propagation velocity compared to the square lattice, and the cross-linked square latticemore » has an even faster propagation velocity. The increase results from the mixing of the momentum states which leads to different group velocities in quantum systems. Standard band theory provides an explanation and allows for a systematic way to search and design systems with controllable matter-wave propagation. Moreover, the presence of a flat band such as in a two-leg ladder geometry leads to a dynamical density discontinuity due to its localized atoms. Lastly, we discuss possible realizations of those dynamical phenomena.« less

Nonsymmorphic symmetry-protected topological modes in plasmonic nanoribbon lattices

NASA Astrophysics Data System (ADS)

Zhang, Yong-Liang; Wu, Raymond P. H.; Kumar, Anshuman; Si, Tieyan; Fung, Kin Hung

2018-04-01

Using a dynamic eigenresponse theory, we study the topological edge plasmon modes in dispersive plasmonic lattices constructed by unit cells of multiple nanoribbons. In dipole approximation, the bulk-edge correspondence in the lattices made of dimerized unit cell and one of its square-root daughter with nonsymmorphic symmetry are demonstrated. Calculations with consideration of dynamic long-range effects and retardation are compared to those given by nearest-neighbor approximations. It is shown that nonsymmorphic symmetry opens up two symmetric gaps where versatile topological edge plasmon modes are found. Unprecedented spectral shifts of the edge states with respect to the zero modes due to long-range coupling are found. The proposed ribbon structure is favorable to electrical gating and thus could serve as an on-chip platform for electrically controllable subwavelength edge states at optical wavelengths. Our eigenresponse approach provides a powerful tool for the radiative topological mode analysis in strongly coupled plasmonic lattices.

Magnetic field effects on ultrafast lattice compression dynamics of Si(111) crystal when excited by linearly-polarized femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Hatanaka, Koji; Odaka, Hideho; Ono, Kimitoshi; Fukumura, Hiroshi

2007-03-01

Time-resolved X-ray diffraction measurements of Si (111) single crystal are performed when excited by linearly-polarized femtosecond laser pulses (780 nm, 260 fs, negatively-chirped, 1 kHz) under a magnetic field (0.47 T). Laser fluence on the sample surface is 40 mJ/cm^2, which is enough lower than the ablation threshold at 200 mJ/cm^2. Probing X-ray pulses of iron characteristic X-ray lines at 0.193604 and 0.193998 nm are generated by focusing femtosecond laser pulses onto audio-cassette tapes in air. Linearly-polarized femtosecond laser pulse irradiation onto Si(111) crystal surface induces transient lattice compression in the picosecond time range, which is confirmed by transient angle shift of X-ray diffraction to higher angles. Little difference of compression dynamics is observed when the laser polarization is changed from p to s-pol. without a magnetic field. On the other hand, under a magnetic field, the lattice compression dynamics changes when the laser is p-polarized which is vertical to the magnetic field vector. These results may be assigned to photo-carrier formation and energy-band distortion.

Ab Initio Molecular Dynamics and Lattice Dynamics-Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications.

PubMed

Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel

2018-04-05

Hexagonal boron nitride (hBN) is an up-and-coming two-dimensional material, with applications in electronic devices, tribology, and separation membranes. Herein, we utilize density-functional-theory-based ab initio molecular dynamics (MD) simulations and lattice dynamics calculations to develop a classical force field (FF) for modeling hBN. The FF predicts the crystal structure, elastic constants, and phonon dispersion relation of hBN with good accuracy and exhibits remarkable agreement with the interlayer binding energy predicted by random phase approximation calculations. We demonstrate the importance of including Coulombic interactions but excluding 1-4 intrasheet interactions to obtain the correct phonon dispersion relation. We find that improper dihedrals do not modify the bulk mechanical properties and the extent of thermal vibrations in hBN, although they impact its flexural rigidity. Combining the FF with the accurate TIP4P/Ice water model yields excellent agreement with interaction energies predicted by quantum Monte Carlo calculations. Our FF should enable an accurate description of hBN interfaces in classical MD simulations.

GALACTIC WINDS DRIVEN BY ISOTROPIC AND ANISOTROPIC COSMIC-RAY DIFFUSION IN DISK GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pakmor, R.; Pfrommer, C.; Simpson, C. M.

2016-06-20

The physics of cosmic rays (CRs) is a promising candidate for explaining the driving of galactic winds and outflows. Recent galaxy formation simulations have demonstrated the need for active CR transport either in the form of diffusion or streaming to successfully launch winds in galaxies. However, due to computational limitations, most previous simulations have modeled CR transport isotropically. Here, we discuss high-resolution simulations of isolated disk galaxies in a 10{sup 11} M {sub ⊙} halo with the moving-mesh code Arepo that include injection of CRs from supernovae, advective transport, CR cooling, and CR transport through isotropic or anisotropic diffusion. Wemore » show that either mode of diffusion leads to the formation of strong bipolar outflows. However, they develop significantly later in the simulation with anisotropic diffusion compared to the simulation with isotropic diffusion. Moreover, we find that isotropic diffusion allows most of the CRs to quickly diffuse out of the disk, while in the simulation with anisotropic diffusion, most CRs remain in the disk once the magnetic field becomes dominated by its azimuthal component, which occurs after ∼300 Myr. This has important consequences for the gas dynamics in the disk. In particular, we show that isotropic diffusion strongly suppresses the amplification of the magnetic field in the disk compared to anisotropic or no diffusion models. We therefore conclude that reliable simulations which include CR transport inevitably need to account for anisotropic diffusion.« less

Multipulse interaction quenched ultracold few-bosonic ensembles in finite optical lattices

NASA Astrophysics Data System (ADS)

Mistakidis, Simeon; Neuhaus-Steinmetz, Jannis; Schmelcher, Peter; Theory Group of Fundamental Processes in Quantum Physics Team

2017-04-01

The correlated non-equilibrium dynamics following a multipulse interaction quench protocol in few-bosonic ensembles confined in finite optical lattices is investigated. The multipulse interaction quench gives rise to the cradle and a global breathing mode. These modes are generated during the interaction pulse and persist also after the pulse. The corresponding tunneling dynamics consists of several energy channels accompanying the dynamics. The majority of the tunneling channels persist after the pulse, while only a few occur during the pulse. The induced excitation dynamics is also explored and a strong non-linear dependence on the delayed time of the multipulse protocol is observed. Moreover, the character of the excitation dynamics is also manifested by the periodic population of higher-lying lattice momenta. The above mentioned findings pave the way for future investigations on the direct control of the excitation dynamics. Deutsche Forschungsgemeinschaft (DFG) in the framework of the SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

(3+1)D Quasiparticle Anisotropic Hydrodynamics for Ultrarelativistic Heavy-Ion Collisions.

PubMed

Alqahtani, Mubarak; Nopoush, Mohammad; Ryblewski, Radoslaw; Strickland, Michael

2017-07-28

We present the first comparisons of experimental data with phenomenological results from (3+1)D quasiparticle anisotropic hydrodynamics (aHydroQP). We compare particle spectra, average transverse momentum, and elliptic flow. The dynamical equations used for the hydrodynamic stage utilize aHydroQP, which naturally includes both shear and bulk viscous effects. The (3+1)D aHydroQP evolution obtained is self-consistently converted to hadrons using anisotropic Cooper-Frye freeze-out. Hadron production and decays are modeled using a customized version of therminator 2. In this first study, we utilized smooth Glauber-type initial conditions and a single effective freeze-out temperature T_{FO}=130  MeV with all hadronic species in full chemical equilibrium. With this rather simple setup, we find a very good description of many heavy-ion observables.

Techniques for transparent lattice measurement and correction

NASA Astrophysics Data System (ADS)

Cheng, Weixing; Li, Yongjun; Ha, Kiman

2017-07-01

A novel method has been successfully demonstrated at NSLS-II to characterize the lattice parameters with gated BPM turn-by-turn (TbT) capability. This method can be used at high current operation. Conventional lattice characterization and tuning are carried out at low current in dedicated machine studies which include beam-based measurement/correction of orbit, tune, dispersion, beta-beat, phase advance, coupling etc. At the NSLS-II storage ring, we observed lattice drifting during beam accumulation in user operation. Coupling and lifetime change while insertion device (ID) gaps are moved. With the new method, dynamical lattice correction is possible to achieve reliable and productive operations. A bunch-by-bunch feedback system excites a small fraction (∼1%) of bunches and gated BPMs are aligned to see those bunch motions. The gated TbT position data are used to characterize the lattice hence correction can be applied. As there are ∼1% of total charges disturbed for a short period of time (several ms), this method is transparent to general user operation. We demonstrated the effectiveness of these tools during high current user operation.

Rydberg dressing of atoms in optical lattices

NASA Astrophysics Data System (ADS)

Macrı, T.; Pohl, T.

2014-01-01

We study atoms in optical lattices whose electronic ground state is off-resonantly coupled to a highly excited state with strong binary interactions. We present a time-dependent treatment of the resulting quantum dynamics, which—contrary to recent predictions [36 Li, Ates, and Lesanovsky, Phys. Rev. Lett. 110, 213005 (2013), 10.1103/PhysRevLett.110.213005]—proves that the strong repulsion between the weakly admixed Rydberg states does not lead to atomic trap loss. This finding provides an important basis for creating and manipulating coherent long-range interactions in optical lattice experiments.

Crystallographic Lattice Boltzmann Method

PubMed Central

Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

2016-01-01

Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

Lattice dynamics and thermal transport in multiferroic CuCrO2

NASA Astrophysics Data System (ADS)

Bansal, Dipanshu; Niedziela, Jennifer L.; May, Andrew F.; Said, Ayman; Ehlers, Georg; Abernathy, Douglas L.; Huq, Ashfia; Kirkham, Melanie; Zhou, Haidong; Delaire, Olivier

2017-02-01

Inelastic neutron and x-ray scattering measurements of phonons and spin waves were performed in the delafossite compound CuCrO2 over a wide range of temperature, and complemented with first-principles lattice dynamics simulations. The phonon dispersions and density of states are well reproduced by our density functional calculations, and reveal a strong anisotropy of Cu vibrations, which exhibit low-frequency modes of large amplitude parallel to the basal plane of the layered delafossite structure. The low frequency in-plane modes also show a systematic temperature dependence of neutron and x-ray scattering intensities. In addition, we find that spin fluctuations persist above 300 K, far above the Néel temperature for long-range antiferromagnetic order, TN≃24 K . Our modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that spin fluctuations above TN constitute an important source of phonon scattering, considerably suppressing the thermal conductivity compared to that of the isostructural but nonmagnetic compound CuAlO2.

Anisotropic evaluation of synthetic surgical meshes.

PubMed

Saberski, E R; Orenstein, S B; Novitsky, Y W

2011-02-01

The material properties of meshes used in hernia repair contribute to the overall mechanical behavior of the repair. The anisotropic potential of synthetic meshes, representing a difference in material properties (e.g., elasticity) in different material axes, is not well defined to date. Haphazard orientation of anisotropic mesh material can contribute to inconsistent surgical outcomes. We aimed to characterize and compare anisotropic properties of commonly used synthetic meshes. Six different polypropylene (Trelex(®), ProLite™, Ultrapro™), polyester (Parietex™), and PTFE-based (Dualmesh(®), Infinit) synthetic meshes were selected. Longitudinal and transverse axes were defined for each mesh, and samples were cut in each axis orientation. Samples underwent uniaxial tensile testing, from which the elastic modulus (E) in each axis was determined. The degree of anisotropy (λ) was calculated as a logarithmic expression of the ratio between the elastic modulus in each axis. Five of six meshes displayed significant anisotropic behavior. Ultrapro™ and Infinit exhibited approximately 12- and 20-fold differences between perpendicular axes, respectively. Trelex(®), ProLite™, and Parietex™ were 2.3-2.4 times. Dualmesh(®) was the least anisotropic mesh, without marked difference between the axes. Anisotropy of synthetic meshes has been underappreciated. In this study, we found striking differences between elastic properties of perpendicular axes for most commonly used synthetic meshes. Indiscriminate orientation of anisotropic mesh may adversely affect hernia repairs. Proper labeling of all implants by manufacturers should be mandatory. Understanding the specific anisotropic behavior of synthetic meshes should allow surgeons to employ rational implant orientation to maximize outcomes of hernia repair.

Ab-initio study of high temperature lattice dynamics of BCC zirconium (β-Zr) and uranium (γ-U)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Partha S., E-mail: parthasarathi13@gmail.com; Arya, A., E-mail: parthasarathi13@gmail.com; Dey, G. K., E-mail: parthasarathi13@gmail.com

2014-04-24

Using self consistent ab-initio lattice dynamics calculations, we show that bcc structures of Zr and U phases become stable at high temperature by phonon-phonon interactions. The calculated temperature dependent phonon dispersion curve (PDC) of β-Zr match excellently with experimental PDC. But the calculated PDC for γ-U shows negative phonon frequencies even at solid to liquid transition temperature. We show that this discrepancy is due to an overestimation of instability depth of bcc U phase which is removed by incorporation of spin-orbit coupling in the electronic structure calculations.

Up quark mass in lattice QCD with three light dynamical quarks and implications for strong CP invariance.

PubMed

Nelson, Daniel R; Fleming, George T; Kilcup, Gregory W

2003-01-17

A standing mystery in the standard model is the unnatural smallness of the strong CP violating phase. A massless up quark has long been proposed as one potential solution. A lattice calculation of the constants of the chiral Lagrangian essential for the determination of the up quark mass, 2alpha(8)-alpha(5), is presented. We find 2alpha(8)-alpha(5)=0.29+/-0.18, which corresponds to m(u)/m(d)=0.410+/-0.036. This is the first such calculation using a physical number of dynamical light quarks, N(f)=3.

Cracking on anisotropic neutron stars

NASA Astrophysics Data System (ADS)

Setiawan, A. M.; Sulaksono, A.

2017-07-01

We study the effect of cracking of a local anisotropic neutron star (NS) due to small density fluctuations. It is assumed that the neutron star core consists of leptons, nucleons and hyperons. The relativistic mean field model is used to describe the core of equation of state (EOS). For the crust, we use the EOS introduced by Miyatsu et al. [1]. Furthermore, two models are used to describe pressure anisotropic in neutron star matter. One is proposed by Doneva-Yazadjiev (DY) [2] and the other is proposed by Herrera-Barreto (HB) [3]. The anisotropic parameter of DY and HB models are adjusted in order the predicted maximum mass compatible to the mass of PSR J1614-2230 [4] and PSR J0348+0432 [5]. We have found that cracking can potentially present in the region close to the neutron star surface. The instability due cracking is quite sensitive to the NS mass and anisotropic parameter used.

Quantum search algorithms on a regular lattice

NASA Astrophysics Data System (ADS)

Hein, Birgit; Tanner, Gregor

2010-07-01

Quantum algorithms for searching for one or more marked items on a d-dimensional lattice provide an extension of Grover’s search algorithm including a spatial component. We demonstrate that these lattice search algorithms can be viewed in terms of the level dynamics near an avoided crossing of a one-parameter family of quantum random walks. We give approximations for both the level splitting at the avoided crossing and the effectively two-dimensional subspace of the full Hilbert space spanning the level crossing. This makes it possible to give the leading order behavior for the search time and the localization probability in the limit of large lattice size including the leading order coefficients. For d=2 and d=3, these coefficients are calculated explicitly. Closed form expressions are given for higher dimensions.

Effects of lateral diffusion on morphology and dynamics of a microscopic lattice-gas model of pulsed electrodeposition.

PubMed

Frank, Stefan; Roberts, Daniel E; Rikvold, Per Arne

2005-02-08

The influence of nearest-neighbor diffusion on the decay of a metastable low-coverage phase (monolayer adsorption) in a square lattice-gas model of electrochemical metal deposition is investigated by kinetic Monte Carlo simulations. The phase-transformation dynamics are compared to the well-established Kolmogorov-Johnson-Mehl-Avrami theory. The phase transformation is accelerated by diffusion, but remains in accord with the theory for continuous nucleation up to moderate diffusion rates. At very high diffusion rates the phase-transformation kinetic shows a crossover to instantaneous nucleation. Then, the probability of medium-sized clusters is reduced in favor of large clusters. Upon reversal of the supersaturation, the adsorbate desorbs, but large clusters still tend to grow during the initial stages of desorption. Calculation of the free energy of subcritical clusters by enumeration of lattice animals yields a quasiequilibrium distribution which is in reasonable agreement with the simulation results. This is an improvement relative to classical droplet theory, which fails to describe the distributions, since the macroscopic surface tension is a bad approximation for small clusters.

Anisotropic constitutive modeling for nickel-base single crystal superalloys. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sheh, Michael Y.

1988-01-01

An anisotropic constitutive model was developed based on crystallographic slip theory for nickel base single crystal superalloys. The constitutive equations developed utilizes drag stress and back stress state variables to model the local inelastic flow. Specially designed experiments were conducted to evaluate the existence of back stress in single crystal superalloy Rene N4 at 982 C. The results suggest that: (1) the back stress is orientation dependent; and (2) the back stress state variable is required for the current model to predict material anelastic recovery behavior. The model was evaluated for its predictive capability on single crystal material behavior including orientation dependent stress-strain response, tension/compression asymmetry, strain rate sensitivity, anelastic recovery behavior, cyclic hardening and softening, stress relaxation, creep and associated crystal lattice rotation. Limitation and future development needs are discussed.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE PAGES

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; ...

2016-09-09

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Lattice dynamics of BaFe 2 X 3 ( X = S , Se ) compounds

DOE PAGES

Popović, Z. V.; Šćepanović, M.; Lazarević, N.; ...

2015-02-27

We present the Raman scattering spectra of the S=2 spin ladder compounds BaFe₂X₃ (X=S,Se) in a temperature range between 20 and 400 K. Although the crystal structures of these two compounds are both orthorhombic and very similar, they are not isostructural. The unit cell of BaFe₂S₃ (BaFe₂Se₃) is base-centered Cmcm (primitive Pnma), giving 18 (36) modes to be observed in the Raman scattering experiment. We have detected almost all Raman active modes, predicted by factor group analysis, which can be observed from the cleavage planes of these compounds. Assignment of the observed Raman modes of BaFe₂S(Se)₃ is supported by themore » lattice dynamics calculations. The antiferromagnetic long-range spin ordering in BaFe₂Se₃ below T N=255K leaves a fingerprint both in the A 1g and B 3g phonon mode linewidth and energy.« less

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Determination of lattice parameters, strain state and composition in semipolar III-nitrides using high resolution X-ray diffraction

NASA Astrophysics Data System (ADS)

Frentrup, Martin; Hatui, Nirupam; Wernicke, Tim; Stellmach, Joachim; Bhattacharya, Arnab; Kneissl, Michael

2013-12-01

In group-III-nitride heterostructures with semipolar or nonpolar crystal orientation, anisotropic lattice and thermal mismatch with the buffer or substrate lead to a complex distortion of the unit cells, e.g., by shearing of the lattice. This makes an accurate determination of lattice parameters, composition, and strain state under assumption of the hexagonal symmetry impossible. In this work, we present a procedure to accurately determine the lattice constants, strain state, and composition of semipolar heterostructures using high resolution X-ray diffraction. An analysis of the unit cell distortion shows that four independent lattice parameters are sufficient to describe this distortion. Assuming only small deviations from an ideal hexagonal structure, a linear expression for the interplanar distances dhkl is derived. It is used to determine the lattice parameters from high resolution X-ray diffraction 2ϑ-ω-scans of multiple on- and off-axis reflections via a weighted least-square fit. The strain and composition of ternary alloys are then evaluated by transforming the elastic parameters (using Hooke's law) from the natural crystal-fixed coordinate system to a layer-based system, given by the in-plane directions and the growth direction. We illustrate our procedure taking an example of (112¯2) AlκGa1-κN epilayers with Al-contents over the entire composition range. We separately identify the in-plane and out-of-plane strains and discuss origins for the observed anisotropy.

Long-wave model for strongly anisotropic growth of a crystal step.

PubMed

Khenner, Mikhail

2013-08-01

A continuum model for the dynamics of a single step with the strongly anisotropic line energy is formulated and analyzed. The step grows by attachment of adatoms from the lower terrace, onto which atoms adsorb from a vapor phase or from a molecular beam, and the desorption is nonnegligible (the "one-sided" model). Via a multiscale expansion, we derived a long-wave, strongly nonlinear, and strongly anisotropic evolution PDE for the step profile. Written in terms of the step slope, the PDE can be represented in a form similar to a convective Cahn-Hilliard equation. We performed the linear stability analysis and computed the nonlinear dynamics. Linear stability depends on whether the stiffness is minimum or maximum in the direction of the step growth. It also depends nontrivially on the combination of the anisotropy strength parameter and the atomic flux from the terrace to the step. Computations show formation and coarsening of a hill-and-valley structure superimposed onto a long-wavelength profile, which independently coarsens. Coarsening laws for the hill-and-valley structure are computed for two principal orientations of a maximum step stiffness, the increasing anisotropy strength, and the varying atomic flux.

Molecular mechanism of melting of a helical polymer crystal: Role of conformational order, packing and mobility of polymers

NASA Astrophysics Data System (ADS)

Cheerla, Ramesh; Krishnan, Marimuthu

2018-03-01

The molecular mechanism of melting of a superheated helical polymer crystal has been investigated using isothermal-isobaric molecular dynamics simulation that allows anisotropic deformation of the crystal lattice. A detailed microscopic analysis of the onset and progression of melting and accompanying changes in the polymer conformational order, translational, and orientation order of the solid along the melting pathway is presented. Upon gradual heating from room temperature to beyond the melting point at ambient pressure, the crystal exhibits signatures of premelting well below the solid-to-liquid melting transition at the melting point. The melting transition is manifested by abrupt changes in the crystal volume, lattice energy, polymer conformation, and dynamical properties. In the premelting stage, the crystal lattice structure and backbone orientation of the polymer chains are retained but with the onset of weakening of long-range helical order and interchain packing of polymers perpendicular to the fibre axis of the crystal. The premelting also marks the onset of conformational defects and anisotropic solid-state diffusion of polymers along the fibre axis. The present study underscores the importance of the interplay between intermolecular packing, interactions, and conformational dynamics at the atomic level in determining the macroscopic melting behavior of polymer crystals.

Coupled matter-wave solitons in optical lattices

NASA Astrophysics Data System (ADS)

Golam Ali, Sk; Talukdar, B.

2009-06-01

We make use of a potential model to study the dynamics of two coupled matter-wave or Bose-Einstein condensate (BEC) solitons loaded in optical lattices. With separate attention to linear and nonlinear lattices we find some remarkable differences for response of the system to effects of these lattices. As opposed to the case of linear optical lattice (LOL), the nonlinear lattice (NOL) can be used to control the mutual interaction between the two solitons. For a given lattice wave number k, the effective potentials in which the two solitons move are such that the well (Veff(NOL)), resulting from the juxtaposition of soliton interaction and nonlinear lattice potential, is deeper than the corresponding well Veff(LOL). But these effective potentials have opposite k dependence in the sense that the depth of Veff(LOL) increases as k increases and that of Veff(NOL) decreases for higher k values. We verify that the effectiveness of optical lattices to regulate the motion of the coupled solitons depends sensitively on the initial locations of the motionless solitons as well as values of the lattice wave number. For both LOL and NOL the two solitons meet each other due to mutual interaction if their initial locations are taken within the potential wells with the difference that the solitons in the NOL approach each other rather rapidly and take roughly half the time to meet as compared with the time needed for such coalescence in the LOL. In the NOL, the soliton profiles can move freely and respond to the lattice periodicity when the separation between their initial locations are as twice as that needed for a similar free movement in the LOL. We observe that, in both cases, slow tuning of the optical lattices by varying k with respect to a time parameter τ drags the oscillatory solitons apart to take them to different locations. In our potential model the oscillatory solitons appear to propagate undistorted. But a fully numerical calculation indicates that during evolution

All optical detection of picosecond spin-wave dynamics in 2D annular antidot lattice

NASA Astrophysics Data System (ADS)

Porwal, Nikita; Mondal, Sucheta; Choudhury, Samiran; De, Anulekha; Sinha, Jaivardhan; Barman, Anjan; Datta, Prasanta Kumar

2018-02-01

Novel magnetic structures with precisely controlled dimensions and shapes at the nanoscale have potential applications in spin logic, spintronics and other spin-based communication devices. We report the fabrication of 2D bi-structure magnonic crystal in the form of embedded nanodots in a periodic Ni80Fe20 antidot lattice structure (annular antidot) by focused ion-beam lithography. The spin-wave spectra of the annular antidot sample, studied for the first time by a time-resolved magneto-optic Kerr effect microscopy show a remarkable variation with bias field, which is important for the above device applications. The optically induced spin-wave spectra show multiple modes in the frequency range 14.7 GHz-3.5 GHz due to collective interactions between the dots and antidots as well as the annular elements within the whole array. Numerical simulations qualitatively reproduce the experimental results, and simulated mode profiles reveal the spatial distribution of the spin-wave modes and internal magnetic fields responsible for these observations. It is observed that the internal field strength increases by about 200 Oe inside each dot embedded within the hole of annular antidot lattice as compared to pure antidot lattice and pure dot lattice. The stray field for the annular antidot lattice is found to be significant (0.8 kOe) as opposed to the negligible values of the same for the pure dot lattice and pure antidot lattice. Our findings open up new possibilities for development of novel artificial crystals.

Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

DOE PAGES

Zhou, Fei; Nielson, Weston; Xia, Yi; ...

2014-10-27

First-principles prediction of lattice thermal conductivity K L of strongly anharmonic crystals is a long-standing challenge in solid state physics. Using recent advances in information science, we propose a systematic and rigorous approach to this problem, compressive sensing lattice dynamics (CSLD). Compressive sensing is used to select the physically important terms in the lattice dynamics model and determine their values in one shot. Non-intuitively, high accuracy is achieved when the model is trained on first-principles forces in quasi-random atomic configurations. The method is demonstrated for Si, NaCl, and Cu 12Sb 4S 13, an earth-abundant thermoelectric with strong phononphonon interactions thatmore » limit the room-temperature K L to values near the amorphous limit.« less

Nano-sized Adsorbate Structure Formation in Anisotropic Multilayer System

NASA Astrophysics Data System (ADS)

Kharchenko, Vasyl O.; Kharchenko, Dmitrii O.; Yanovsky, Vladimir V.

2017-05-01

In this article, we study dynamics of adsorbate island formation in a model plasma-condensate system numerically. We derive the generalized reaction-diffusion model for adsorptive multilayer system by taking into account anisotropy in transfer of adatoms between neighbor layers induced by electric field. It will be found that with an increase in the electric field strength, a structural transformation from nano-holes inside adsorbate matrix toward separated nano-sized adsorbate islands on a substrate is realized. Dynamics of adsorbate island sizes and corresponding distributions are analyzed in detail. This study provides an insight into details of self-organization of adatoms into nano-sized adsorbate islands in anisotropic multilayer plasma-condensate systems.

Entropy favours open colloidal lattices

NASA Astrophysics Data System (ADS)

Mao, Xiaoming; Chen, Qian; Granick, Steve

2013-03-01

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

Strain, magnetic anisotropy, and anisotropic magnetoresistance in (Ga,Mn)As on high-index substrates: Application to (113)A -oriented layers

NASA Astrophysics Data System (ADS)

Dreher, L.; Donhauser, D.; Daeubler, J.; Glunk, M.; Rapp, C.; Schoch, W.; Sauer, R.; Limmer, W.

2010-06-01

Based on a detailed theoretical examination of the lattice distortion in high-index epilayers in terms of continuum mechanics, expressions are deduced that allow the calculation and experimental determination of the strain tensor for (hhl) -oriented (Ga,Mn)As layers. Analytical expressions are derived for the strain-dependent free-energy density and for the resistivity tensor for monoclinic and orthorhombic crystal symmetries, phenomenologically describing the magnetic anisotropy and anisotropic magnetoresistance by appropriate anisotropy and resistivity parameters, respectively. Applying the results to (113)A orientation with monoclinic crystal symmetry, the expressions are used to determine the strain tensor and the shear angle of a series of (113)A -oriented (Ga,Mn)As layers by high-resolution x-ray diffraction and to probe the magnetic anisotropy and anisotropic magnetoresistance at 4.2 K by means of angle-dependent magnetotransport. Whereas the transverse-resistivity parameters are nearly unaffected by the magnetic field, the parameters describing the longitudinal resistivity are strongly field dependent.

Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

NASA Astrophysics Data System (ADS)

Elcoro, Luis; Etxebarria, Jesús

2011-01-01

The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used solid-state textbooks. Frequently, pair interaction is even considered to be the most general situation. In addition, it is shown that the demand of rotational invariance in an infinite crystal leads to inconsistencies in the symmetry of the elastic tensor. However, for finite crystals, no problems arise, and the Huang conditions are deduced using exclusively a microscopic approach for the elasticity theory, without making any reference to macroscopic parameters. This work may be useful in both undergraduate and graduate level courses to point out the crudeness of the pair-potential interaction and to explore the limits of the infinite-crystal approximation.

A scalable PC-based parallel computer for lattice QCD

NASA Astrophysics Data System (ADS)

Fodor, Z.; Katz, S. D.; Pappa, G.

2003-05-01

A PC-based parallel computer for medium/large scale lattice QCD simulations is suggested. The Eo¨tvo¨s Univ., Inst. Theor. Phys. cluster consists of 137 Intel P4-1.7GHz nodes. Gigabit Ethernet cards are used for nearest neighbor communication in a two-dimensional mesh. The sustained performance for dynamical staggered (wilson) quarks on large lattices is around 70(110) GFlops. The exceptional price/performance ratio is below $1/Mflop.

Anisotropically biaxial strain in non-polar (112-0) plane In x Ga1-x N/GaN layers investigated by X-ray reciprocal space mapping.

PubMed

Zhao, Guijuan; Li, Huijie; Wang, Lianshan; Meng, Yulin; Ji, Zesheng; Li, Fangzheng; Wei, Hongyuan; Yang, Shaoyan; Wang, Zhanguo

2017-07-03

In this study, the indium composition x as well as the anisotropically biaxial strain in non-polar a-plane In x Ga 1-x N on GaN is studied by X-ray diffraction (XRD) analysis. In accordance with XRD reciprocal lattice space mapping, with increasing indium composition, the maximum of the In x Ga 1-x N reciprocal lattice points progressively shifts from a fully compressive strained to a fully relaxed position, then to reversed tensile strained. To fully understand the strain in the ternary alloy layers, it is helpful to grow high-quality device structures using a-plane nitrides. As the layer thickness increases, the strain of In x Ga 1-x N layer releases through surface roughening and the 3D growth-mode.

RELATIVISTIC CYCLOTRON INSTABILITY IN ANISOTROPIC PLASMAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

López, Rodrigo A.; Moya, Pablo S.; Muñoz, Víctor

2016-11-20

A sufficiently large temperature anisotropy can sometimes drive various types of electromagnetic plasma micro-instabilities, which can play an important role in the dynamics of relativistic pair plasmas in space, astrophysics, and laboratory environments. Here, we provide a detailed description of the cyclotron instability of parallel propagating electromagnetic waves in relativistic pair plasmas on the basis of a relativistic anisotropic distribution function. Using plasma kinetic theory and particle-in-cell simulations, we study the influence of the relativistic temperature and the temperature anisotropy on the collective and noncollective modes of these plasmas. Growth rates and dispersion curves from the linear theory show amore » good agreement with simulations results.« less

Theoretical prediction of sandwiched two-dimensional phosphide binary compound sheets with tunable bandgaps and anisotropic physical properties

NASA Astrophysics Data System (ADS)

Zhang, C. Y.; Yu, M.

2018-03-01

Atomic layers of GaP and InP binary compounds with unique anisotropic structural, electronic and mechanical properties have been predicted from first-principle molecular dynamics simulations. These new members of the phosphide binary compound family stabilize to a sandwiched two-dimensional (2D) crystalline structure with orthorhombic lattice symmetry and high buckling of 2.14 Å-2.46 Å. Their vibration modes are similar to those of phosphorene with six Raman active modes ranging from ˜80 cm-1 to 400 cm-1. The speeds of sound in their phonon dispersions reflect anisotropy in their elastic constants, which was further confirmed by their strong directional dependence of Young’s moduli and effective nonlinear elastic moduli. They show wide bandgap semiconductor behavior with fundamental bandgaps of 2.89 eV for GaP and 2.59 eV for InP, respectively, even wider than their bulk counterparts. Such bandgaps were found to be tunable under strain. In particular, a direct-indirect bandgap transition was found under certain strains along zigzag or biaxial orientations, reflecting their promising applications in strain-induced bandgap engineering in nanoelectronics and photovoltaics. Feasible pathways to realize these novel 2D phosphide compounds are also proposed.

Proteins at the air-water interface in a lattice model

NASA Astrophysics Data System (ADS)

Zhao, Yani; Cieplak, Marek

2018-03-01

We construct a lattice protein version of the hydrophobic-polar model to study the effects of the air-water interface on the protein and on an interfacial layer formed through aggregation of many proteins. The basic unit of the model is a 14-mer that is known to have a unique ground state in three dimensions. The equilibrium and kinetic properties of the systems with and without the interface are studied through a Monte Carlo process. We find that the proteins at high dilution can be pinned and depinned many times from the air-water interface. When pinned, the proteins undergo deformation. The staying time depends on the strength of the coupling to the interface. For dense protein systems, we observe glassy effects. Thus, the lattice model yields results which are similar to those obtained through molecular dynamics in off-lattice models. In addition, we study dynamical effects induced by local temperature gradients in protein films.

Effects of isotropic and anisotropic slip on droplet impingement on a superhydrophobic surface

NASA Astrophysics Data System (ADS)

Clavijo, Cristian E.; Crockett, Julie; Maynes, Daniel

2015-12-01

The dynamics of single droplet impingement on micro-textured superhydrophobic surfaces with isotropic and anisotropic slip are investigated. While several analytical models exist to predict droplet impact on superhydrophobic surfaces, no previous model has rigorously considered the effect of the shear-free region above the gas cavities resulting in an apparent slip that is inherent for many of these surfaces. This paper presents a model that accounts for slip during spreading and recoiling. A broad range of Weber numbers and slip length values were investigated at low Ohnesorge numbers. The results show that surface slip exerts negligible influence throughout the impingement process for low Weber numbers but can exert significant influence for high Weber numbers (on the order of 102). When anisotropic slip prevails, the droplet exhibits an elliptical shape at the point of maximum spread, with greater eccentricity for increasing slip and increasing Weber number. Experiments were performed on isotropic and anisotropic micro-structured superhydrophobic surfaces and the agreement between the experimental results and the model is very good.

Optic phonons and anisotropic thermal conductivity in hexagonal Ge 2Sb 2Te 5

DOE PAGES

Mukhopadhyay, Saikat; Lindsay, Lucas R.; Singh, David

2016-11-16

The lattice thermal conductivity ($κ$) of hexagonal Ge 2Sb 2Tesub>5 (h-GST) is studied via direct first-principles calculations. We find significant intrinsic anisotropy of ( $κ$ a/$κ$ c~2) of $κ$ in bulk h-GST along different transport directions. The dominant contribution to$κ$ is from optic phonons, ~75%. This is extremely unusual as the acoustic phonon modes carry most of the heat in typical semiconductors and insulators with small unit cells. Very recently, Lee et. al. observed anisotropic in GST thin films and attributed this to thermal resistance of amorphous regions near grain boundaries. However, our results suggest an additional strong intrinsic anisotropymore » for the pure hexagonal phase. This derives from bonding anisotropy along different crystal directions, specifically from weak interlayer coupling, which gives anisotropic phonon dispersions. The phonon spectrum of h-GST has very dispersive optic branches with higher group velocities along the a-axis as compared to flat optic bands along the c-axis. The importance of optic mode contributions for the thermal conductivity in low-$κ$ h-GST is unusual, and development of fundamental physical understanding of these contributions may be critical to better understanding of thermal conduction in other complex layered materials.« less

Characterization of Anisotropic Behavior for High Grade Pipes

NASA Astrophysics Data System (ADS)

Yang, Kun; Huo, Chunyong; Ji, Lingkang; Li, Yang; Zhang, Jiming; Ma, Qiurong

With the developing requirement of nature gas, the property needs of steel for pipe line are higher and higher, especially in strength and toughness. It is necessary to improve the steel grade in order to ensure economic demand and safety. However, with the rise of steel grade, the differences on properties in different orientations (anisotropic behaviors) become more and more obvious after the process of hot rolling, which may affect the prediction of fracture for the pipes seriously (Thinking of isotropic mechanical properties for material in traditional predict way). In order to get the reason for anisotropic mechanics, a series of tests are carried out for high grade steel pipes, including not only mechanical properties but also microstructures. Result indicates that there are obviously anisotropic behaviors for high grade steel pipes in two orientations (rolling orientation and transverse orientation). Strength is better in T orientation because Rm is higher and Rt 0.5 rises more in T orientation, and toughness is better in L orientation because of the higher Akv and SA in L orientation under a same temperature. Banded structures are formed in T orientation, and the spatial distribution of inclusion and precipitated phases are different in T, L and S orientation. The anisotropic arrangement for the matrix in space (banded structures), which is formed after the process of hot rolling, may affect the mechanical properties in different orientation. Moreover, the elasticity modulus of particles is different from the elasticity modulus of matrix, deformation between particles and matrix may cause stress concentration, and damage forms in this place. Because of the different distribution of particles in space, the level of damage is anisotropic in different orientations, and the anisotropic mechanical properties occur finally. Therefore, the anisotropic mechanical properties are determined by the anisotropic microstructures, both the anisotropic of matrix and the

Lattice Boltzmann simulations for wall-flow dynamics in porous ceramic diesel particulate filters

NASA Astrophysics Data System (ADS)

Lee, Da Young; Lee, Gi Wook; Yoon, Kyu; Chun, Byoungjin; Jung, Hyun Wook

2018-01-01

Flows through porous filter walls of wall-flow diesel particulate filter are investigated using the lattice Boltzmann method (LBM). The microscopic model of the realistic filter wall is represented by randomly overlapped arrays of solid spheres. The LB simulation results are first validated by comparison to those from previous hydrodynamic theories and constitutive models for flows in porous media with simple regular and random solid-wall configurations. We demonstrate that the newly designed randomly overlapped array structures of porous walls allow reliable and accurate simulations for the porous wall-flow dynamics in a wide range of solid volume fractions from 0.01 to about 0.8, which is beyond the maximum random packing limit of 0.625. The permeable performance of porous media is scrutinized by changing the solid volume fraction and particle Reynolds number using Darcy's law and Forchheimer's extension in the laminar flow region.

Mechanism of anisotropic surface self-diffusivity at the prismatic ice-vapor interface.

PubMed

Gladich, Ivan; Oswald, Amrei; Bowens, Natalie; Naatz, Sam; Rowe, Penny; Roeselova, Martina; Neshyba, Steven

2015-09-21

Predictive theoretical models for mesoscopic roughening of ice require improved understanding of attachment kinetics occurring at the ice-vapor interface. Here, we use classical molecular dynamics to explore the generality and mechanics of a transition from anisotropic to isotropic self-diffusivity on exposed prismatic surfaces. We find that self-diffusion parallel to the crystallographic a-axis is favored over the c-axis at sub-melt temperatures below about -35 °C, for three different representations of the water-water intermolecular potential. In the low-temperature anisotropic regime, diffusion results from interstitial admolecules encountering entropically distinct barriers to diffusion in the two in-plane directions. At higher temperatures, isotropic self-diffusion occurring deeper within the quasi-liquid layer becomes the dominant mechanism, owing to its larger energy of activation.

Molecular and Subcellular-Scale Modeling of Nucleotide Diffusion in the Cardiac Myofilament Lattice

PubMed Central

Kekenes-Huskey, Peter M.; Liao, Tao; Gillette, Andrew K.; Hake, Johan E.; Zhang, Yongjie; Michailova, Anushka P.; McCulloch, Andrew D.; McCammon, J. Andrew

2013-01-01

Contractile function of cardiac cells is driven by the sliding displacement of myofilaments powered by the cycling myosin crossbridges. Critical to this process is the availability of ATP, which myosin hydrolyzes during the cross-bridge cycle. The diffusion of adenine nucleotides through the myofilament lattice has been shown to be anisotropic, with slower radial diffusion perpendicular to the filament axis relative to parallel, and is attributed to the periodic hexagonal arrangement of the thin (actin) and thick (myosin) filaments. We investigated whether atomistic-resolution details of myofilament proteins can refine coarse-grain estimates of diffusional anisotropy for adenine nucleotides in the cardiac myofibril, using homogenization theory and atomistic thin filament models from the Protein Data Bank. Our results demonstrate considerable anisotropy in ATP and ADP diffusion constants that is consistent with experimental measurements and dependent on lattice spacing and myofilament overlap. A reaction-diffusion model of the half-sarcomere further suggests that diffusional anisotropy may lead to modest adenine nucleotide gradients in the myoplasm under physiological conditions. PMID:24209858

Finite-volume scheme for anisotropic diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Es, Bram van, E-mail: bramiozo@gmail.com; FOM Institute DIFFER, Dutch Institute for Fundamental Energy Research, The Netherlands"1; Koren, Barry

In this paper, we apply a special finite-volume scheme, limited to smooth temperature distributions and Cartesian grids, to test the importance of connectivity of the finite volumes. The area of application is nuclear fusion plasma with field line aligned temperature gradients and extreme anisotropy. We apply the scheme to the anisotropic heat-conduction equation, and compare its results with those of existing finite-volume schemes for anisotropic diffusion. Also, we introduce a general model adaptation of the steady diffusion equation for extremely anisotropic diffusion problems with closed field lines.

An anisotropic numerical model for thermal hydraulic analyses: application to liquid metal flow in fuel assemblies

NASA Astrophysics Data System (ADS)

Vitillo, F.; Vitale Di Maio, D.; Galati, C.; Caruso, G.

2015-11-01

A CFD analysis has been carried out to study the thermal-hydraulic behavior of liquid metal coolant in a fuel assembly of triangular lattice. In order to obtain fast and accurate results, the isotropic two-equation RANS approach is often used in nuclear engineering applications. A different approach is provided by Non-Linear Eddy Viscosity Models (NLEVM), which try to take into account anisotropic effects by a nonlinear formulation of the Reynolds stress tensor. This approach is very promising, as it results in a very good numerical behavior and in a potentially better fluid flow description than classical isotropic models. An Anisotropic Shear Stress Transport (ASST) model, implemented into a commercial software, has been applied in previous studies, showing very trustful results for a large variety of flows and applications. In the paper, the ASST model has been used to perform an analysis of the fluid flow inside the fuel assembly of the ALFRED lead cooled fast reactor. Then, a comparison between the results of wall-resolved conjugated heat transfer computations and the results of a decoupled analysis using a suitable thermal wall-function previously implemented into the solver has been performed and presented.