Transverse beam dynamics in non-linear Fixed Field Alternating Gradient accelerators

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

Haj, Tahar M.; Meot, F.

2016-03-02

In this paper, we present some aspects of the transverse beam dynamics in Fixed Field Ring Accelerators (FFRA): we start from the basic principles in order to derive the linearized transverse particle equations of motion for FFRA, essentially FFAGs and cyclotrons are considered here. This is a simple extension of a previous work valid for linear lattices that we generalized by including the bending terms to ensure its correctness for FFAG lattice. The space charge term (contribution of the internal coulombian forces of the beam) is contained as well, although it is not discussed here. The emphasis is on themore » scaling FFAG type: a collaboration work is undertaken in view of better understanding the properties of the 150 MeV scaling FFAG at KURRI in Japan, and progress towards high intensity operation. Some results of the benchmarking work between different codes are presented. Analysis of certain type of field imperfections revealed some interesting features about this machine that explain some of the experimental results and generalize the concept of a scaling FFAG to a non-scaling one for which the tune variations obey a well-defined law.« less

Symplectic maps and chromatic optics in particle accelerators

DOE PAGES

Cai, Yunhai

2015-07-06

Here, we have applied the nonlinear map method to comprehensively characterize the chromatic optics in particle accelerators. Our approach is built on the foundation of symplectic transfer maps of magnetic elements. The chromatic lattice parameters can be transported from one element to another by the maps. We also introduce a Jacobian operator that provides an intrinsic linkage between the maps and the matrix with parameter dependence. The link allows us to directly apply the formulation of the linear optics to compute the chromatic lattice parameters. As an illustration, we analyze an alternating-gradient cell with nonlinear sextupoles, octupoles, and decapoles andmore » derive analytically their settings for the local chromatic compensation. Finally, the cell becomes nearly perfect up to the third-order of the momentum deviation.« 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.

Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys

NASA Astrophysics Data System (ADS)

Al, Selgin; Arikan, Nihat; Demir, Süleyman; Iyigör, Ahmet

2018-02-01

The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh2YA1 alloys in the L21 phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable.

The ab initio Calculation of Electric Field Gradient at the Site of P Impurity in α-Al3O2

NASA Astrophysics Data System (ADS)

Zhang, Qiao-Li; Yuan, Da-Qing; Zhang, Huan-Qiao; Fan, Ping; Zuo, Yi; Zheng, Yong-Nan; Masuta, K.; Fukuda, M.; Mihara, M.; Minamisono, T.; Kitagawa, A.; Zhu, Sheng-Yun

2012-09-01

An ab initio calculation of the electric-field gradient (EFG) at the site of a phosphorous impurity substituting an Al atom in α-Al2O3 is carried out using the WIEN2k code with the full-potential linearized augmented plane wave plus local orbital method (LAPW+lo) in the frame of density functional theory. The atomic lattice relaxations caused by the implanted impurities were calculated for two different charged states to well describe the electronic structure of the doped system. The EFG at the site of the phosphorous impurity in the charged supercell calculated with the exchange-correlation potential of the Wu-Cohen generalized gradient approximation (WC-GGA) is 0.573 × 1021 V/m2. Then, the nuclear quadrupole moment of the I = 3 state in 28P is deduced to be 137 mb from the quadrupole interaction frequency of 190 kHz measured recently by the β-NQR method.

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.

Ab-initio study of B{sub 2}-type technetium AB (A=Tc, B=Nb and Ta) intermetallic compounds

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

Acharya, Nikita, E-mail: acharyaniks30@gmail.com; Fatima, Bushra; Sanyal, Sankar P.

2016-05-06

The structural, electronic and elastic properties of AB type (A = Tc, B = Nb and Ta) technetium intermetallic compounds are studied using full potential linearized plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The calculated lattice parameters agree well with the experimental results. The elastic constants obey the stability criteria for cubic system. Ductility for these compounds has been analyzed using the Pugh’s rule and Cauchy’s pressure and found that all the compounds are ductile in nature. Bonding nature is discussed in terms of Fermi surface and band structures.

Magnetic method for stimulating transport in fluids

DOEpatents

Martin, James E.; Solis, Kyle J.

2016-10-18

A method for producing mass and heat transport in fluids, wherein the method does not rely on conventional convection, that is, it does not require gravity, a thermal gradient, or a magnetic field gradient. This method gives rise to a unique class of vigorous, field-controllable flow patterns termed advection lattices. The advection lattices can be used to transport heat and/or mass in any desired direction using only magnetic fields.

Formulating viscous hydrodynamics for large velocity gradients

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

Pratt, Scott

2008-02-15

Viscous corrections to relativistic hydrodynamics, which are usually formulated for small velocity gradients, have recently been extended from Navier-Stokes formulations to a class of treatments based on Israel-Stewart equations. Israel-Stewart treatments, which treat the spatial components of the stress-energy tensor {tau}{sub ij} as dynamical objects, introduce new parameters, such as the relaxation times describing nonequilibrium behavior of the elements {tau}{sub ij}. By considering linear response theory and entropy constraints, we show how the additional parameters are related to fluctuations of {tau}{sub ij}. Furthermore, the Israel-Stewart parameters are analyzed for their ability to provide stable and physical solutions for sound waves.more » Finally, it is shown how these parameters, which are naturally described by correlation functions in real time, might be constrained by lattice calculations, which are based on path-integral formulations in imaginary time.« less

Chapman-Enskog Analyses on the Gray Lattice Boltzmann Equation Method for Fluid Flow in Porous Media

NASA Astrophysics Data System (ADS)

Chen, Chen; Li, Like; Mei, Renwei; Klausner, James F.

2018-03-01

The gray lattice Boltzmann equation (GLBE) method has recently been used to simulate fluid flow in porous media. It employs a partial bounce-back of populations (through a fractional coefficient θ, which represents the fraction of populations being reflected by the solid phase) in the evolution equation to account for the linear drag of the medium. Several particular GLBE schemes have been proposed in the literature and these schemes are very easy to implement; but there exists uncertainty about the need for redefining the macroscopic velocity as there has been no systematic analysis to recover the Brinkman equation from the various GLBE schemes. Rigorous Chapman-Enskog analyses are carried out to show that the momentum equation recovered from these schemes can satisfy Brinkman equation to second order in ɛ only if θ = O( ɛ ) in which ɛ is the ratio of the lattice spacing to the characteristic length of physical dimension. The need for redefining macroscopic velocity is shown to be scheme-dependent. When a body force is encountered such as the gravitational force or that caused by a pressure gradient, different forms of forcing redefinitions are required for each GLBE scheme.

Laser cooling of rubidium atoms in a 2D optical lattice

NASA Astrophysics Data System (ADS)

Wei, Chunhua; Kuhn, Carlos C. N.

2018-06-01

Lossless polarization gradient cooling of ?? atoms in a far-detuned 2D optical lattice is demonstrated. Temperatures down to ?K and phase space densities as high as 1 / 1000 are achieved in a total duty cycle of ?. It is shown that utilizing the vector component of the optical lattice allows lower temperatures to be achieved when compared with pure scalar lattices.

Cooperation among cancer cells as public goods games on Voronoi networks.

PubMed

Archetti, Marco

2016-05-07

Cancer cells produce growth factors that diffuse and sustain tumour proliferation, a form of cooperation that can be studied using mathematical models of public goods in the framework of evolutionary game theory. Cell populations, however, form heterogeneous networks that cannot be described by regular lattices or scale-free networks, the types of graphs generally used in the study of cooperation. To describe the dynamics of growth factor production in populations of cancer cells, I study public goods games on Voronoi networks, using a range of non-linear benefits that account for the known properties of growth factors, and different types of diffusion gradients. The results are surprisingly similar to those obtained on regular graphs and different from results on scale-free networks, revealing that network heterogeneity per se does not promote cooperation when public goods diffuse beyond one-step neighbours. The exact shape of the diffusion gradient is not crucial, however, whereas the type of non-linear benefit is an essential determinant of the dynamics. Public goods games on Voronoi networks can shed light on intra-tumour heterogeneity, the evolution of resistance to therapies that target growth factors, and new types of cell therapy. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ghost circles in lattice Aubry-Mather theory

NASA Astrophysics Data System (ADS)

Mramor, Blaz; Rink, Bob

Monotone lattice recurrence relations such as the Frenkel-Kontorova lattice, arise in Hamiltonian lattice mechanics, as models for ferromagnetism and as discretization of elliptic PDEs. Mathematically, they are a multi-dimensional counterpart of monotone twist maps. Such recurrence relations often admit a variational structure, so that the solutions x:Z→R are the stationary points of a formal action function W(x). Given any rotation vector ω∈R, classical Aubry-Mather theory establishes the existence of a large collection of solutions of ∇W(x)=0 of rotation vector ω. For irrational ω, this is the well-known Aubry-Mather set. It consists of global minimizers and it may have gaps. In this paper, we study the parabolic gradient flow {dx}/{dt}=-∇W(x) and we will prove that every Aubry-Mather set can be interpolated by a continuous gradient-flow invariant family, the so-called 'ghost circle'. The existence of these ghost circles is known in dimension d=1, for rational rotation vectors and Morse action functions. The main technical result of this paper is therefore a compactness theorem for lattice ghost circles, based on a parabolic Harnack inequality for the gradient flow. This implies the existence of lattice ghost circles of arbitrary rotation vectors and for arbitrary actions. As a consequence, we can give a simple proof of the fact that when an Aubry-Mather set has a gap, then this gap must be filled with minimizers, or contain a non-minimizing solution.

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.

Effect of doping on electronic properties of HgSe

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

Nag, Abhinav, E-mail: abhinavn76@gmail.com; Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com; Kumar, Jagdish, E-mail: jagdishphysicist@gmail.com

2016-05-23

First principle study of electronic properties of pure and doped HgSe have been performed using all electron Full Potential Linearized Augmented Plane Wave (FP-LAPW) method using ELK code. The electronic exchange and co-relations are considered using Generalized Gradient Approach (GGA). Lattice parameter, Density of States (DOS) and Band structure calculations have been performed. The total energy curve (Energy vs Lattice parameter), DOS and band structure calculations are in good agreement with the experimental values and those obtained using other DFT codes. The doped material is studied within the Virtual Crystal Approximation (VCA) with doping levels of 10% to 25% ofmore » electrons (hole) per unit cell. Results predict zero band gap in undopedHgSe and bands meet at Fermi level near the symmetry point Γ. For doped HgSe, we found that by electron (hole) doping, the point where conduction and valence bands meet can be shifted below (above) the fermi level.« less

First-principles investigation for some physical properties of some fluoroperovskites compounds ABF3 (A = K, Na; B = Mg, Zn)

NASA Astrophysics Data System (ADS)

Bakri, Badis; Driss, Zied; Berri, Saadi; Khenata, Rabah

2017-12-01

In this work, the structural, electronic and optical properties of fluoroperovskite ABF3 (A = K, Na; B = Mg, Zn) were studied using two different approaches: the full-potential linearized augmented plane wave method and the pseudo-potential plane wave scheme in the frame of generalized gradient approximation features such as the lattice constant, bulk modulus and its pressure derivative are reported. The ground state properties of these compounds such as the equilibrium lattice constant and the bulk modulus are in good agreement with the experimental results. The first principles calculations were performed to study the electronic structures of ABF3(A = K, Na; B = Mg, Zn) compounds and the results indicated that these four compounds are indirect band gap insulators. The optical properties are analysed and the source of some peaks in the spectra is discussed. Besides, the dielectric function, refractive index and extinction coefficient for radiation up to 25 eV have also been reported and discussed.

Quasi parton distributions and the gradient flow

DOE PAGES

Monahan, Christopher; Orginos, Kostas

2017-03-22

We propose a new approach to determining quasi parton distribution functions (PDFs) from lattice quantum chromodynamics. By incorporating the gradient flow, this method guarantees that the lattice quasi PDFs are finite in the continuum limit and evades the thorny, and as yet unresolved, issue of the renormalization of quasi PDFs on the lattice. In the limit that the flow time is much smaller than the length scale set by the nucleon momentum, the moments of the smeared quasi PDF are proportional to those of the lightfront PDF. Finally, we use this relation to derive evolution equations for the matching kernelmore » that relates the smeared quasi PDF and the light-front PDF.« less

Quasi parton distributions and the gradient flow

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

Monahan, Christopher; Orginos, Kostas

We propose a new approach to determining quasi parton distribution functions (PDFs) from lattice quantum chromodynamics. By incorporating the gradient flow, this method guarantees that the lattice quasi PDFs are finite in the continuum limit and evades the thorny, and as yet unresolved, issue of the renormalization of quasi PDFs on the lattice. In the limit that the flow time is much smaller than the length scale set by the nucleon momentum, the moments of the smeared quasi PDF are proportional to those of the lightfront PDF. Finally, we use this relation to derive evolution equations for the matching kernelmore » that relates the smeared quasi PDF and the light-front PDF.« less

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

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

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time.more » Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.« less

A morphological perceptron with gradient-based learning for Brazilian stock market forecasting.

PubMed

Araújo, Ricardo de A

2012-04-01

Several linear and non-linear techniques have been proposed to solve the stock market forecasting problem. However, a limitation arises from all these techniques and is known as the random walk dilemma (RWD). In this scenario, forecasts generated by arbitrary models have a characteristic one step ahead delay with respect to the time series values, so that, there is a time phase distortion in stock market phenomena reconstruction. In this paper, we propose a suitable model inspired by concepts in mathematical morphology (MM) and lattice theory (LT). This model is generically called the increasing morphological perceptron (IMP). Also, we present a gradient steepest descent method to design the proposed IMP based on ideas from the back-propagation (BP) algorithm and using a systematic approach to overcome the problem of non-differentiability of morphological operations. Into the learning process we have included a procedure to overcome the RWD, which is an automatic correction step that is geared toward eliminating time phase distortions that occur in stock market phenomena. Furthermore, an experimental analysis is conducted with the IMP using four complex non-linear problems of time series forecasting from the Brazilian stock market. Additionally, two natural phenomena time series are used to assess forecasting performance of the proposed IMP with other non financial time series. At the end, the obtained results are discussed and compared to results found using models recently proposed in the literature. Copyright © 2011 Elsevier Ltd. All rights reserved.

Conservative, unconditionally stable discretization methods for Hamiltonian equations, applied to wave motion in lattice equations modeling protein molecules

NASA Astrophysics Data System (ADS)

LeMesurier, Brenton

2012-01-01

A new approach is described for generating exactly energy-momentum conserving time discretizations for a wide class of Hamiltonian systems of DEs with quadratic momenta, including mechanical systems with central forces; it is well-suited in particular to the large systems that arise in both spatial discretizations of nonlinear wave equations and lattice equations such as the Davydov System modeling energetic pulse propagation in protein molecules. The method is unconditionally stable, making it well-suited to equations of broadly “Discrete NLS form”, including many arising in nonlinear optics. Key features of the resulting discretizations are exact conservation of both the Hamiltonian and quadratic conserved quantities related to continuous linear symmetries, preservation of time reversal symmetry, unconditional stability, and respecting the linearity of certain terms. The last feature allows a simple, efficient iterative solution of the resulting nonlinear algebraic systems that retain unconditional stability, avoiding the need for full Newton-type solvers. One distinction from earlier work on conservative discretizations is a new and more straightforward nearly canonical procedure for constructing the discretizations, based on a “discrete gradient calculus with product rule” that mimics the essential properties of partial derivatives. This numerical method is then used to study the Davydov system, revealing that previously conjectured continuum limit approximations by NLS do not hold, but that sech-like pulses related to NLS solitons can nevertheless sometimes arise.

Coherent resonance stop bands in alternating gradient beam transport

NASA Astrophysics Data System (ADS)

Ito, K.; Okamoto, H.; Tokashiki, Y.; Fukushima, K.

2017-06-01

An extensive experimental study is performed to confirm fundamental resonance bands of an intense hadron beam propagating through an alternating gradient linear transport channel. The present work focuses on the most common lattice geometry called "FODO" or "doublet" that consists of two quadrupoles of opposite polarities. The tabletop ion-trap system "S-POD" (Simulator of Particle Orbit Dynamics) developed at Hiroshima University is employed to clarify the parameter-dependence of coherent beam instability. S-POD can provide a non-neutral plasma physically equivalent to a charged-particle beam in a periodic focusing potential. In contrast with conventional experimental approaches relying on large-scale machines, it is straightforward in S-POD to control the doublet geometry characterized by the quadrupole filling factor and drift-space ratio. We verify that the resonance feature does not essentially change depending on these geometric factors. A few clear stop bands of low-order resonances always appear in the same pattern as previously found with the sinusoidal focusing model. All stop bands become widened and shift to the higher-tune side as the beam density is increased. In the space-charge-dominated regime, the most dangerous stop band is located at the bare betatron phase advance slightly above 90 degrees. Experimental data from S-POD suggest that this severe resonance is driven mainly by the linear self-field potential rather than by nonlinear external imperfections and, therefore, unavoidable at high beam density. The instability of the third-order coherent mode generates relatively weak but noticeable stop bands near the phase advances of 60 and 120 degrees. The latter sextupole stop band is considerably enhanced by lattice imperfections. In a strongly asymmetric focusing channel, extra attention may have to be paid to some coupling resonance lines induced by the Coulomb potential. Our interpretations of experimental data are supported by theoretical predictions and systematic multiparticle simulations.

First-principles study of the structural, electronic and thermal properties of CaLiF3

NASA Astrophysics Data System (ADS)

Chouit, N.; Amara Korba, S.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.

2013-09-01

Density functional theory calculations have been performed to study the structural, electronic and optical properties of CaLiF3 cubic fluoroperovskite. Our calculations were carried out by means of the full-potential linearized augmented plane-wave method. The exchange-correlation potential is treated by the local density approximation and the generalized gradient approximation (GGA) (Perdew, Burke and Ernzerhof). Moreover, the alternative form of GGA proposed by Engel and Vosko is also used for band structure calculations. The calculated total energy versus volume allows us to obtain structural properties such as the lattice constant (a0), bulk modulus (B0) and pressure derivative of the bulk modulus (B'0 ). Band structure, density of states and band gap pressure coefficients are also given. Our calculations show that CaLiF3 has an indirect band gap (R-Γ). Following the quasi-harmonic Debye model, in which the phononic effects are considered, the temperature and pressure effects on the lattice constant, bulk modulus, thermal expansion coefficient, Debye temperature and heat capacities are calculated.

Realization of non-linear coherent states by photonic lattices

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

Dehdashti, Shahram, E-mail: shdehdashti@zju.edu.cn; Li, Rujiang; Chen, Hongsheng, E-mail: hansomchen@zju.edu.cn

2015-06-15

In this paper, first, by introducing Holstein-Primakoff representation of α-deformed algebra, we achieve the associated non-linear coherent states, including su(2) and su(1, 1) coherent states. Second, by using waveguide lattices with specific coupling coefficients between neighbouring channels, we generate these non-linear coherent states. In the case of positive values of α, we indicate that the Hilbert size space is finite; therefore, we construct this coherent state with finite channels of waveguide lattices. Finally, we study the field distribution behaviours of these coherent states, by using Mandel Q parameter.

NMR-based diffusion lattice imaging

NASA Astrophysics Data System (ADS)

Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm

2016-03-01

Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.

Step scaling and the Yang-Mills gradient flow

NASA Astrophysics Data System (ADS)

Lüscher, Martin

2014-06-01

The use of the Yang-Mills gradient flow in step-scaling studies of lattice QCD is expected to lead to results of unprecedented precision. Step scaling is usually based on the Schrödinger functional, where time ranges over an interval [0 , T] and all fields satisfy Dirichlet boundary conditions at time 0 and T. In these calculations, potentially important sources of systematic errors are boundary lattice effects and the infamous topology-freezing problem. The latter is here shown to be absent if Neumann instead of Dirichlet boundary conditions are imposed on the gauge field at time 0. Moreover, the expectation values of gauge-invariant local fields at positive flow time (and of other well localized observables) that reside in the center of the space-time volume are found to be largely insensitive to the boundary lattice effects.

Direct linearizing transform for three-dimensional discrete integrable systems: the lattice AKP, BKP and CKP equations.

PubMed

Fu, Wei; Nijhoff, Frank W

2017-07-01

A unified framework is presented for the solution structure of three-dimensional discrete integrable systems, including the lattice AKP, BKP and CKP equations. This is done through the so-called direct linearizing transform, which establishes a general class of integral transforms between solutions. As a particular application, novel soliton-type solutions for the lattice CKP equation are obtained.

AB INITIO STUDY OF PHONON DISPERSION AND ELASTIC PROPERTIES OF L12 INTERMETALLICS Ti3Al AND Y3Al

NASA Astrophysics Data System (ADS)

Arikan, N.; Ersen, M.; Ocak, H. Y.; Iyigör, A.; Candan, A.; UǦUR, Ş.; UǦUR, G.; Khenata, R.; Varshney, D.

2013-12-01

In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L12(Cu3Al) phase are studied by performing first-principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first-order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high-symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first-principles linear-response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0-500 K are obtained using the quasi-harmonic model.

Electronic structure and properties of lanthanum

NASA Astrophysics Data System (ADS)

Nixon, Lane; Papaconstantopoulos, Dimitrios

2008-03-01

The total energy and electronic structure of lanthanum have been calculated in the bcc, fcc, hcp and dhcp structures for pressures up to 50 GPa. The full potential linearized-augmented-planewave method was used with both the local-density and general-gradient approximations. The correct phase ordering has been found, with lattice parameters and bulk moduli in good agreement with experimental data. The GGA method shows excellent agreement overall while the LDA results show larger discrepancies. The calculated strain energies for the fcc and bcc structures demonstrate the respective stable and unstable configurations at ambient conditions. The calculated superconductivity properties under pressure for the fcc structure are also found to agree well with measurements. Both LDA and GGA, with minor differences, reproduce well the experimental results for Tc.

Relationship between electrical properties and crystallization of indium oxide thin films using ex-situ grazing-incidence wide-angle x-ray scattering

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

González, G. B.; Okasinski, J. S.; Buchholz, D. B.

Grazing-incidence, wide-angle x-ray scattering measurements were conducted on indium oxide thin films grown on silica substrates via pulsed laser deposition. Growth temperatures (T G) in this study ranged from -50 °C to 600 °C, in order to investigate the thermal effects on the film structure and its spatial homogeneity, as well as their relationship to electrical properties. Films grown below room temperature were amorphous, while films prepared at T G = 25 °C and above crystallized in the cubic bixbyite structure, and their crystalline fraction increased with deposition temperature. The electrical conductivity (σ) and electrical mobility (μ) were strongly enhancedmore » at low deposition temperatures. For T G = 25 °C and 50 °C, a strong < 100 > preferred orientation (texture) occurred, but it decreased as the deposition temperature, and consequential crystallinity, increased. Higher variations in texture coefficients and in lattice parameters were measured at the film surface compared to the interior of the film, indicating strong microstructural gradients. At low crystallinity, the in-plane lattice spacing expanded, while the out-of-plane spacing contracted, and those values merged at T G = 400 °C, where high μ was measured. This directional difference in lattice spacing, or deviatoric strain, was linear as a function of both deposition temperature and the degree of crystallinity. The crystalline sample with T G = 100 °C had the lowest mobility, as well as film diffraction peaks which split into doublets. The deviatoric strains from these doublet peaks differ by a factor of four, supporting the presence of both a microstructure and strain gradient in this film. More isotropic films exhibit larger l values, indicating that the microstructure directly correlates with electrical properties. Lastly, these results provide valuable insights that can help to improve the desirable properties of indium oxide, as well as other transparent conducting oxides.« less

Relationship between electrical properties and crystallization of indium oxide thin films using ex-situ grazing-incidence wide-angle x-ray scattering

NASA Astrophysics Data System (ADS)

González, G. B.; Okasinski, J. S.; Buchholz, D. B.; Boesso, J.; Almer, J. D.; Zeng, L.; Bedzyk, M. J.; Chang, R. P. H.

2017-05-01

Grazing-incidence, wide-angle x-ray scattering measurements were conducted on indium oxide thin films grown on silica substrates via pulsed laser deposition. Growth temperatures (TG) in this study ranged from -50 °C to 600 °C, in order to investigate the thermal effects on the film structure and its spatial homogeneity, as well as their relationship to electrical properties. Films grown below room temperature were amorphous, while films prepared at TG = 25 °C and above crystallized in the cubic bixbyite structure, and their crystalline fraction increased with deposition temperature. The electrical conductivity (σ) and electrical mobility (μ) were strongly enhanced at low deposition temperatures. For TG = 25 °C and 50 °C, a strong ⟨100⟩ preferred orientation (texture) occurred, but it decreased as the deposition temperature, and consequential crystallinity, increased. Higher variations in texture coefficients and in lattice parameters were measured at the film surface compared to the interior of the film, indicating strong microstructural gradients. At low crystallinity, the in-plane lattice spacing expanded, while the out-of-plane spacing contracted, and those values merged at TG = 400 °C, where high μ was measured. This directional difference in lattice spacing, or deviatoric strain, was linear as a function of both deposition temperature and the degree of crystallinity. The crystalline sample with TG = 100 °C had the lowest mobility, as well as film diffraction peaks which split into doublets. The deviatoric strains from these doublet peaks differ by a factor of four, supporting the presence of both a microstructure and strain gradient in this film. More isotropic films exhibit larger μ values, indicating that the microstructure directly correlates with electrical properties. These results provide valuable insights that can help to improve the desirable properties of indium oxide, as well as other transparent conducting oxides.

Relationship between electrical properties and crystallization of indium oxide thin films using ex-situ grazing-incidence wide-angle x-ray scattering

DOE PAGES

González, G. B.; Okasinski, J. S.; Buchholz, D. B.; ...

2017-05-25

Grazing-incidence, wide-angle x-ray scattering measurements were conducted on indium oxide thin films grown on silica substrates via pulsed laser deposition. Growth temperatures (T G) in this study ranged from -50 °C to 600 °C, in order to investigate the thermal effects on the film structure and its spatial homogeneity, as well as their relationship to electrical properties. Films grown below room temperature were amorphous, while films prepared at T G = 25 °C and above crystallized in the cubic bixbyite structure, and their crystalline fraction increased with deposition temperature. The electrical conductivity (σ) and electrical mobility (μ) were strongly enhancedmore » at low deposition temperatures. For T G = 25 °C and 50 °C, a strong < 100 > preferred orientation (texture) occurred, but it decreased as the deposition temperature, and consequential crystallinity, increased. Higher variations in texture coefficients and in lattice parameters were measured at the film surface compared to the interior of the film, indicating strong microstructural gradients. At low crystallinity, the in-plane lattice spacing expanded, while the out-of-plane spacing contracted, and those values merged at T G = 400 °C, where high μ was measured. This directional difference in lattice spacing, or deviatoric strain, was linear as a function of both deposition temperature and the degree of crystallinity. The crystalline sample with T G = 100 °C had the lowest mobility, as well as film diffraction peaks which split into doublets. The deviatoric strains from these doublet peaks differ by a factor of four, supporting the presence of both a microstructure and strain gradient in this film. More isotropic films exhibit larger l values, indicating that the microstructure directly correlates with electrical properties. Lastly, these results provide valuable insights that can help to improve the desirable properties of indium oxide, as well as other transparent conducting oxides.« less

Combined solvent- and non-uniform temperature-programmed gradient liquid chromatography. I - A theoretical investigation.

PubMed

Gritti, Fabrice

2016-11-18

An new class of gradient liquid chromatography (GLC) is proposed and its performance is analyzed from a theoretical viewpoint. During the course of such gradients, both the solvent strength and the column temperature are simultaneously changed in time and space. The solvent and temperature gradients propagate along the chromatographic column at their own and independent linear velocity. This class of gradient is called combined solvent- and temperature-programmed gradient liquid chromatography (CST-GLC). The general expressions of the retention time, retention factor, and of the temporal peak width of the analytes at elution in CST-GLC are derived for linear solvent strength (LSS) retention models, modified van't Hoff retention behavior, linear and non-distorted solvent gradients, and for linear temperature gradients. In these conditions, the theory predicts that CST-GLC is equivalent to a unique and apparent dynamic solvent gradient. The apparent solvent gradient steepness is the sum of the solvent and temperature steepness. The apparent solvent linear velocity is the reciprocal of the steepness-averaged sum of the reciprocal of the actual solvent and temperature linear velocities. The advantage of CST-GLC over conventional GLC is demonstrated for the resolution of protein digests (peptide mapping) when applying smooth, retained, and linear acetonitrile gradients in combination with a linear temperature gradient (from 20°C to 90°C) using 300μm×150mm capillary columns packed with sub-2 μm particles. The benefit of CST-GLC is demonstrated when the temperature gradient propagates at the same velocity as the chromatographic speed. The experimental proof-of-concept for the realization of temperature ramps propagating at a finite and constant linear velocity is also briefly described. Copyright © 2016 Elsevier B.V. All rights reserved.

Reactive Orthotropic Lattice Diffuser for Noise Reduction

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R. (Inventor)

2016-01-01

An orthotropic lattice structure interconnects porous surfaces of the flap with internal lattice-structured perforations to equalize the steady pressure field on the flap surfaces adjacent to the end and to reduce the amplitude of the fluctuations in the flow field near the flap end. The global communication that exists within all of the perforations provides the mechanism to lessen the pressure gradients experienced by the end portion of the flap. In addition to having diffusive effects (diffusing the incoming flow), the three-dimensional orthogonal lattice structure is also reactive (acoustic wave phase distortion) due to the interconnection of the perforations.

Instanton liquid properties from lattice QCD

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

Athenodorou, A.; Boucaud, Philippe; De Soto, F.

Here, we examined the instanton contribution to the QCD configurations generated from lattice QCD for N F = 0, N F = 2 + 1 and N F = 2 + 1 + 1 dynamical quark flavors from two different and complementary approaches. First via the use of Gradient flow, we computed instanton liquid properties using an algorithm to localize instantons in the gauge field configurations and studied their evolution with flow time. Then, the analysis of the running at low momenta of gluon Green's functions serves as an independent confirmation of the instanton density which can also be derivedmore » without the use of the Gradient flow.« less

Instanton liquid properties from lattice QCD

DOE PAGES

Athenodorou, A.; Boucaud, Philippe; De Soto, F.; ...

2018-02-22

Here, we examined the instanton contribution to the QCD configurations generated from lattice QCD for N F = 0, N F = 2 + 1 and N F = 2 + 1 + 1 dynamical quark flavors from two different and complementary approaches. First via the use of Gradient flow, we computed instanton liquid properties using an algorithm to localize instantons in the gauge field configurations and studied their evolution with flow time. Then, the analysis of the running at low momenta of gluon Green's functions serves as an independent confirmation of the instanton density which can also be derivedmore » without the use of the Gradient flow.« less

Toward lattice fractional vector calculus

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2014-09-01

An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity.

Lattice topology dictates photon statistics.

PubMed

Kondakci, H Esat; Abouraddy, Ayman F; Saleh, Bahaa E A

2017-08-21

Propagation of coherent light through a disordered network is accompanied by randomization and possible conversion into thermal light. Here, we show that network topology plays a decisive role in determining the statistics of the emerging field if the underlying lattice is endowed with chiral symmetry. In such lattices, eigenmode pairs come in skew-symmetric pairs with oppositely signed eigenvalues. By examining one-dimensional arrays of randomly coupled waveguides arranged on linear and ring topologies, we are led to a remarkable prediction: the field circularity and the photon statistics in ring lattices are dictated by its parity while the same quantities are insensitive to the parity of a linear lattice. For a ring lattice, adding or subtracting a single lattice site can switch the photon statistics from super-thermal to sub-thermal, or vice versa. This behavior is understood by examining the real and imaginary fields on a lattice exhibiting chiral symmetry, which form two strands that interleave along the lattice sites. These strands can be fully braided around an even-sited ring lattice thereby producing super-thermal photon statistics, while an odd-sited lattice is incommensurate with such an arrangement and the statistics become sub-thermal.

Mapping Strain Gradients in the FIB-Structured InGaN/GaN Multilayered Films with 3D X-ray Microbeam

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

Barabash, Rozaliya; Gao, Yanfei; Ice, Gene E

2010-01-01

This research presents a combined experimental-modeling study of lattice rotations and deviatoric strain gradients induced by focused-ion beam (FIB) milling in nitride heterostructures. 3D X-ray polychromatic microdiffraction (PXM) is used to map the local lattice orientation distribution in FIB-structured areas. Results are discussed in connection with microphotoluminescence ({mu}-PL), fluorescent analysis, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) data. It is demonstrated that FIB-milling causes both direct and indirect damage to the InGaN/GaN layers. In films subjected to direct ion beam impact, a narrow amorphidized top layer is formed. Near the milling area, FIB-induced stress relaxation and formation ofmore » complicated 3D strain fields are observed. The resulting lattice orientation changes are found to correlate with a decrease and/or loss of PL intensity, and agree well with finite element simulations of the three-dimensional strain fields near the relaxed trenches. Experimentally, it is found that the lattice surface normal has an in-plane rotation, which only appears in simulations when the GaN-substrate lattice mismatch annihilates the InGaN-substrate mismatch. This behavior further supports the notion that the film/substrate interface is incoherent.« less

Mapping strain gradients in the FIB-structured InGaN/GaN multilayered films with 3D x-ray microbeam.

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

Barabash, R. I.; Gao, Y. F.; Ice, G. E.

2010-11-25

This research presents a combined experimental-modeling study of lattice rotations and deviatoric strain gradients induced by focused-ion beam (FIB) milling in nitride heterostructures. 3D X-ray polychromatic microdiffraction (PXM) is used to map the local lattice orientation distribution in FIB-structured areas. Results are discussed in connection with microphotoluminescence ({mu}-PL), fluorescent analysis, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) data. It is demonstrated that FIB-milling causes both direct and indirect damage to the InGaN/GaN layers. In films subjected to direct ion beam impact, a narrow amorphidized top layer is formed. Near the milling area, FIB-induced stress relaxation and formation ofmore » complicated 3D strain fields are observed. The resulting lattice orientation changes are found to correlate with a decrease and/or loss of PL intensity, and agree well with finite element simulations of the three-dimensional strain fields near the relaxed trenches. Experimentally, it is found that the lattice surface normal has an in-plane rotation, which only appears in simulations when the GaN-substrate lattice mismatch annihilates the InGaN-substrate mismatch. This behavior further supports the notion that the film/substrate interface is incoherent.« less

Topological susceptibility in finite temperature (2 +1 )-flavor QCD using gradient flow

NASA Astrophysics Data System (ADS)

Taniguchi, Yusuke; Kanaya, Kazuyuki; Suzuki, Hiroshi; Umeda, Takashi; WHOT-QCD Collaboration

2017-03-01

We compute the topological charge and its susceptibility in finite temperature (2 +1 )-flavor QCD on the lattice applying a gradient flow method. With the Iwasaki gauge action and nonperturbatively O (a ) -improved Wilson quarks, we perform simulations on a fine lattice with a ≃0.07 fm at a heavy u , d quark mass with mπ/mρ≃0.63 , but approximately physical s quark mass with mηss/mϕ≃0.74 . In a temperature range from T ≃174 MeV (Nt=16 ) to 697 MeV (Nt=4 ), we study two topics on the topological susceptibility. One is a comparison of gluonic and fermionic definitions of the topological susceptibility. Because the two definitions are related by chiral Ward-Takahashi identities, their equivalence is not trivial for lattice quarks which violate the chiral symmetry explicitly at finite lattice spacings. The gradient flow method enables us to compute them without being bothered by the chiral violation. We find a good agreement between the two definitions with Wilson quarks. The other is a comparison with a prediction of the dilute instanton gas approximation, which is relevant in a study of axions as a candidate of the dark matter in the evolution of the Universe. We find that the topological susceptibility shows a decrease in T which is consistent with the predicted χt(T )∝(T /Tpc)-8 for three-flavor QCD even at low temperature Tpc

Evaluation of permeability and non-Darcy flow in vuggy macroporous limestone aquifer samples with lattice Boltzmann methods

USGS Publications Warehouse

Sukop, Michael C.; Huang, Haibo; Alvarez, Pedro F.; Variano, Evan A.; Cunningham, Kevin J.

2013-01-01

Lattice Boltzmann flow simulations provide a physics-based means of estimating intrinsic permeability from pore structure and accounting for inertial flow that leads to departures from Darcy's law. Simulations were used to compute intrinsic permeability where standard measurement methods may fail and to provide better understanding of departures from Darcy's law under field conditions. Simulations also investigated resolution issues. Computed tomography (CT) images were acquired at 0.8 mm interscan spacing for seven samples characterized by centimeter-scale biogenic vuggy macroporosity from the extremely transmissive sole-source carbonate karst Biscayne aquifer in southeastern Florida. Samples were as large as 0.3 m in length; 7–9 cm-scale-length subsamples were used for lattice Boltzmann computations. Macroporosity of the subsamples was as high as 81%. Matrix porosity was ignored in the simulations. Non-Darcy behavior led to a twofold reduction in apparent hydraulic conductivity as an applied hydraulic gradient increased to levels observed at regional scale within the Biscayne aquifer; larger reductions are expected under higher gradients near wells and canals. Thus, inertial flows and departures from Darcy's law may occur under field conditions. Changes in apparent hydraulic conductivity with changes in head gradient computed with the lattice Boltzmann model closely fit the Darcy-Forchheimer equation allowing estimation of the Forchheimer parameter. CT-scan resolution appeared adequate to capture intrinsic permeability; however, departures from Darcy behavior were less detectable as resolution coarsened.

Lattice-Boltzmann-based simulations of diffusiophoresis of colloids and cells

NASA Astrophysics Data System (ADS)

Kreft Pearce, Jennifer; Castigliego, Joshua

Increasing environmental degradation due to plastic pollutants requires innovative solutions that facilitate the extraction of pollutants without harming local biota. We present results from a lattice-Boltzmann-base Brownian Dynamics simulation on diffusiophoresis and the separation of particles within the system. A gradient in viscosity that simulates a concentration gradient in a dissolved polymer allows us to separate various types of particles based on their deformability. As seen in previous experiments, simulated particles that have a higher deformability react differently to the polymer matrix than those with a lower deformability. Therefore, the particles can be separated from each other. The system described above was simulated with various concentration gradients as well as various Soret coefficients in order to optimize the separation of the particles. This simulation, in particular, was intended to model an oceanic system where the particles of interest were motile and nonmotile plankton and microplastics. The separation of plankton from the microplastics was achieved.

Growth Structure and Properties of Gradient Nanocrystalline Coatings of the Ti-Al-Si-Cu-N System

NASA Astrophysics Data System (ADS)

Ovchinnikov, S. V.; Pinzhin, Yu. P.

2016-10-01

Methods of electron microprobe analysis, X-ray structure analysis and electron microscopy were used to study the element composition and features of the structure-phase, elastic stress state of nanocrystalline coatings of the Ti- Al- Si- Cu- N system with gradient of copper concentration across their thickness. The authors established the effects of element composition modification, non-monotonous behavior of the lattice constant of alloyed nitride and rise in the bending-torsion value of the crystalline lattice in individual nanocrystals to values of around 400 degrees/μm with increase in copper concentration, whereas the sizes of alloyed nitride crystals remained practically unchanged. Mechanical (hardness), adhesion and tribological properties of coatings were examined. Comparative analysis demonstrates higher values of adhesion characteristics in the case of gradient coatings of the Ti- Al- Si- Cu- N system than in the case of single-layer (with constant element concentration) analogues.

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 existence of nonreciprocal wave interaction phenomena in the form of irreversible targeted energy transfers from L waves to NL pulses during collisions of these two types of waves. Additional nonreciprocal acoustics are found in the form of complex "cascading processes, as well as nonreciprocal interactions between L waves and stationary discrete breathers. The computational studies confirm the theoretically predicted transition of the lattice dynamics to a low-energy state of nonlinear acoustic vacum with strong nonlocality.

Structural, elastic and electronic properties of transition metal carbides ZnC, NbC and their ternary alloys ZnxNb1-xC

NASA Astrophysics Data System (ADS)

Zidi, Y.; Méçabih, S.; Abbar, B.; Amari, S.

2018-02-01

We have investigated the structural, electronic and elastic properties of transition-metal carbides ZnxNb1-xC alloys in the range of 0 ≤ x ≤ 1 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) and GGA + U (where U is the Hubbard correlation terms) approach is used to perform the calculations presented here. The lattice parameters, the bulk modulus, its pressure derivative and the elastic constants were determined. We have obtained Young's modulus, shear modulus, Poisson's ratio, anisotropy factor by the aid of the calculated elastic constants. We discuss the total and partial densities of states and charge densities.

Linear microbunching analysis for recirculation machines

DOE PAGES

Tsai, C. -Y.; Douglas, D.; Li, R.; ...

2016-11-28

Microbunching instability (MBI) has been one of the most challenging issues in designs of magnetic chicanes for short-wavelength free-electron lasers or linear colliders, as well as those of transport lines for recirculating or energy-recovery-linac machines. To quantify MBI for a recirculating machine and for more systematic analyses, we have recently developed a linear Vlasov solver and incorporated relevant collective effects into the code, including the longitudinal space charge, coherent synchrotron radiation, and linac geometric impedances, with extension of the existing formulation to include beam acceleration. In our code, we semianalytically solve the linearized Vlasov equation for microbunching amplification factor formore » an arbitrary linear lattice. In this study we apply our code to beam line lattices of two comparative isochronous recirculation arcs and one arc lattice preceded by a linac section. The resultant microbunching gain functions and spectral responses are presented, with some results compared to particle tracking simulation by elegant (M. Borland, APS Light Source Note No. LS-287, 2002). These results demonstrate clearly the impact of arc lattice design on the microbunching development. Lastly, the underlying physics with inclusion of those collective effects is elucidated and the limitation of the existing formulation is also discussed.« less

First-Principles Study on the Structural, Electronic, Magnetic and Thermodynamic Properties of Full Heusler Alloys Co2VZ (Z = Al, Ga)

NASA Astrophysics Data System (ADS)

Bentouaf, Ali; Hassan, Fouad H.; Reshak, Ali H.; Aïssa, Brahim

2017-01-01

We report on the investigation of the structural and physical properties of the Co2VZ (Z = Al, Ga) Heusler alloys, with L21 structure, through first-principles calculations involving the full potential linearized augmented plane-wave method within density functional theory. These physical properties mainly revolve around the electronic, magnetic and thermodynamic properties. By using the Perdew-Burke-Ernzerhof generalized gradient approximation, the calculated lattice constants and spin magnetic moments were found to be in good agreement with the experimental data. Furthermore, the thermal effects using the quasi-harmonic Debye model have been investigated in depth while taking into account the lattice vibrations, the temperature and the pressure effects on the structural parameters. The heat capacities, the thermal expansion coefficient and the Debye temperatures have also been determined from the non-equilibrium Gibbs functions. An application of the atom in molecule theory is presented and discussed in order to analyze the bonding nature of the Heusler alloys. The focus is on the mixing of the metallic and covalent behavior of Co2VZ (Z = Al, Ga) Heusler alloys.

Lattice Design for a High-Power Infrared FEL

NASA Astrophysics Data System (ADS)

Douglas, D. R.

1997-05-01

A 1 kW infrared FEL, funded by the U.S. Navy, is under construction at Jefferson Lab. This device will be driven by a compact, 42 MeV, 5 mA, energy-recovering, CW SRF-based linear accelerator to produce light in the 3-6.6 μm range. The machine concept comprises a 10 MeV injector, a linac based on a single high-gradient Jefferson Lab accelerator cryomodule, a wiggler and optical cavity, and an energy-recovery recirculation arc. Energy recovery limits cost and technical risk by reducing the RF power requirements in the driver accelerator. Following deceleration to 10 MeV, the beam is dumped. Stringent phase space requirements at the wiggler, low beam energy, and high beam current subject the accelerator lattice to numerous constraints. Principal considerations include: transport and delivery to the FEL of a high-quality, high-current beam; the impact of coherent synchrotron radiation (CSR) during beam recirculation transport; beam optics aberration control, to provide low-loss energy-recovery transport of a 5% relative momentum spread, high-current beam; attention to possible beam breakup (BBU) instabilities in the recirculating accelerator; and longitudinal phase space management during beam transport, to optimize RF drive system control during energy recovery and FEL operation. The presentation will address the design process and design solution for an accelerator transport lattice that meets the requirements imposed by these physical phenomena and operational necessities.

Nonlinear verification of a linear critical gradient model for energetic particle transport by Alfven eigenmodes

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

Bass, Eric M.; Waltz, R. E.

Here, a “stiff transport” critical gradient model of energetic particle (EP) transport by EPdriven Alfven eigenmodes (AEs) is verified against local nonlinear gyrokinetic simulations of a well-studied beam-heated DIII-D discharge 146102. A greatly simplifying linear “recipe” for the limiting EP-density gradient (critical gradient) is considered here. In this recipe, the critical gradient occurs when the AE linear growth rate, driven mainly by the EP gradient, exceeds the ion temperature gradient (ITG) or trapped electron mode (TEM) growth rate, driven by the thermal plasma gradient, at the same toroidal mode number (n) as the AE peak growth, well below the ITG/TEMmore » peak n. This linear recipe for the critical gradient is validated against the critical gradient determined from far more expensive local nonlinear simulations in the gyrokinetic code GYRO, as identified by the point of transport runaway when all driving gradients are held fixed. The reduced linear model is extended to include the stabilization from equilibrium E×B velocity shear. The nonlinear verification unambiguously endorses one of two alternative recipes proposed in Ref. 1: the EP-driven AE growth rate should be determined with rather than without added thermal plasma drive.« less

Nonlinear verification of a linear critical gradient model for energetic particle transport by Alfven eigenmodes

DOE PAGES

Bass, Eric M.; Waltz, R. E.

2017-12-08

Here, a “stiff transport” critical gradient model of energetic particle (EP) transport by EPdriven Alfven eigenmodes (AEs) is verified against local nonlinear gyrokinetic simulations of a well-studied beam-heated DIII-D discharge 146102. A greatly simplifying linear “recipe” for the limiting EP-density gradient (critical gradient) is considered here. In this recipe, the critical gradient occurs when the AE linear growth rate, driven mainly by the EP gradient, exceeds the ion temperature gradient (ITG) or trapped electron mode (TEM) growth rate, driven by the thermal plasma gradient, at the same toroidal mode number (n) as the AE peak growth, well below the ITG/TEMmore » peak n. This linear recipe for the critical gradient is validated against the critical gradient determined from far more expensive local nonlinear simulations in the gyrokinetic code GYRO, as identified by the point of transport runaway when all driving gradients are held fixed. The reduced linear model is extended to include the stabilization from equilibrium E×B velocity shear. The nonlinear verification unambiguously endorses one of two alternative recipes proposed in Ref. 1: the EP-driven AE growth rate should be determined with rather than without added thermal plasma drive.« less

Modeling of salt and pH gradient elution in ion-exchange chromatography.

PubMed

Schmidt, Michael; Hafner, Mathias; Frech, Christian

2014-01-01

The separation of proteins by internally and externally generated pH gradients in chromatofocusing on ion-exchange columns is a well-established analytical method with a large number of applications. In this work, a stoichiometric displacement model was used to describe the retention behavior of lysozyme on SP Sepharose FF and a monoclonal antibody on Fractogel SO3 (S) in linear salt and pH gradient elution. The pH dependence of the binding charge B in the linear gradient elution model is introduced using a protein net charge model, while the pH dependence of the equilibrium constant is based on a thermodynamic approach. The model parameter and pH dependences are calculated from linear salt gradient elutions at different pH values as well as from linear pH gradient elutions at different fixed salt concentrations. The application of the model for the well-characterized protein lysozyme resulted in almost identical model parameters based on either linear salt or pH gradient elution data. For the antibody, only the approach based on linear pH gradients is feasible because of the limited pH range useful for salt gradient elution. The application of the model for the separation of an acid variant of the antibody from the major monomeric form is discussed. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Conical wave propagation and diffraction in two-dimensional hexagonally packed granular lattices

DOE PAGES

Chong, C.; Kevrekidis, P. G.; Ablowitz, M. J.; ...

2016-01-25

We explore linear and nonlinear mechanisms for conical wave propagation in two-dimensional lattices in the realm of phononic crystals. As a prototypical example, a statically compressed granular lattice of spherical particles arranged in a hexagonal packing configuration is analyzed. Upon identifying the dispersion relation of the underlying linear problem, the resulting diffraction properties are considered. Analysis both via a heuristic argument for the linear propagation of a wave packet and via asymptotic analysis leading to the derivation of a Dirac system suggests the occurrence of conical diffraction. This analysis is valid for strong precompression, i.e., near the linear regime. Formore » weak precompression, conical wave propagation is still possible, but the resulting expanding circular wave front is of a nonoscillatory nature, resulting from the complex interplay among the discreteness, nonlinearity, and geometry of the packing. Lastly, the transition between these two types of propagation is explored.« less

Unraveling submicron-scale mechanical heterogeneity by three-dimensional X-ray microdiffraction

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

Li, Runguang; Xie, Qingge; Wang, Yan-Dong

Shear banding is a ubiquitous phenomenon of severe plastic deformation, and damage accumulation in shear bands often results in the catastrophic failure of a material. Despite extensive studies, the microscopic mechanisms of strain localization and deformation damage in shear bands remain elusive due to their spatial-temporal complexities embedded in bulk materials. Here we conducted synchrotron-based X-ray microdiffraction (μXRD) experiments to map out the 3D lattice strain field with a submicron resolution around fatigue shear bands in a stainless steel. Both in situ and postmortem μXRD results revealed large lattice strain gradients at intersections of the primary and secondary shear bands.more » Such strain gradients resulted in severe mechanical heterogeneities across the fatigue shear bands, leading to reduced fatigue limits in the high-cycle regime. The ability to spatially quantify the localized strain gradients with submicron resolution through μXRD opens opportunities for understanding the microscopic mechanisms of damage and failure in bulk materials.« less

Unraveling submicron-scale mechanical heterogeneity by three-dimensional X-ray microdiffraction

DOE PAGES

Li, Runguang; Xie, Qingge; Wang, Yan-Dong; ...

2017-12-28

Shear banding is a ubiquitous phenomenon of severe plastic deformation, and damage accumulation in shear bands often results in the catastrophic failure of a material. Despite extensive studies, the microscopic mechanisms of strain localization and deformation damage in shear bands remain elusive due to their spatial-temporal complexities embedded in bulk materials. Here we conducted synchrotron-based X-ray microdiffraction (μXRD) experiments to map out the 3D lattice strain field with a submicron resolution around fatigue shear bands in a stainless steel. Both in situ and postmortem μXRD results revealed large lattice strain gradients at intersections of the primary and secondary shear bands.more » Such strain gradients resulted in severe mechanical heterogeneities across the fatigue shear bands, leading to reduced fatigue limits in the high-cycle regime. The ability to spatially quantify the localized strain gradients with submicron resolution through μXRD opens opportunities for understanding the microscopic mechanisms of damage and failure in bulk materials.« less

Unraveling submicron-scale mechanical heterogeneity by three-dimensional X-ray microdiffraction

PubMed Central

Li, Runguang; Xie, Qingge; Wang, Yan-Dong; Liu, Wenjun; Wang, Mingguang; Wu, Guilin; Li, Xiaowu; Zhang, Minghe; Lu, Zhaoping; Geng, Chang; Zhu, Ting

2018-01-01

Shear banding is a ubiquitous phenomenon of severe plastic deformation, and damage accumulation in shear bands often results in the catastrophic failure of a material. Despite extensive studies, the microscopic mechanisms of strain localization and deformation damage in shear bands remain elusive due to their spatial−temporal complexities embedded in bulk materials. Here we conducted synchrotron-based X-ray microdiffraction (μXRD) experiments to map out the 3D lattice strain field with a submicron resolution around fatigue shear bands in a stainless steel. Both in situ and postmortem μXRD results revealed large lattice strain gradients at intersections of the primary and secondary shear bands. Such strain gradients resulted in severe mechanical heterogeneities across the fatigue shear bands, leading to reduced fatigue limits in the high-cycle regime. The ability to spatially quantify the localized strain gradients with submicron resolution through μXRD opens opportunities for understanding the microscopic mechanisms of damage and failure in bulk materials. PMID:29284751

Full-Potential Calculation of Structural, Electronic, and Thermodynamic Properties of Fluoroperovskite { CsMF}3 (M = Be and Mg)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, A.; Baki, N.; Haddou, A.; Khalfa, M.; Abbar, B.; Omran, S. Bin; Uğur, G.; Uğur, Ş.; Khenata, R.

2012-12-01

The structural and electronic properties of the cubic fluoroperoveskite { CsBeF}3 and { CsMgF}3 have been investigated using the full-potential-linearized augmented plane wave method within the density functional theory. The exchange-correlation potential was treated with the local density approximation and the generalized gradient approximation. The calculations of the electronic band structures show that { CsBeF}_{3 } has an indirect bandgap, whereas { CsMgF}3 has a direct bandgap. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the effect of pressure P and temperature T on the lattice parameter, bulk modulus, thermal expansion coefficient, Debye temperature, and the heat capacity for { CsBeF}3 and { CsMgF}3 compounds are investigated for the first time.

First-principle study of effect of variation of `x' on the band alignment in CZTS1-xSex

NASA Astrophysics Data System (ADS)

Ghemud, Vipul; Kshirsagar, Anjali

2018-04-01

The present work concentrates on the electronic structure study of CZTS1-xSex alloy with x ranging from 0 to 1. For the alloy study, we have carried out first-principles calculations employing generalized gradient approximation for structural optimization and further hybrid functional approach to compare the optical band gap with that obtained from the experiments. A systematic increase in the lattice parameters with lowering of band gap from 1.52eV to 1.04eV is seen with increasing Se concentration from 0 to 100%, however the lowering of valence band edge and conduction band edge is not linear with the concentration variation. Our results indicate that the lowering of band gap is a result increased Cu:d and Se:p hybridization with increasing `x'.

Structural, electronic and magnetic properties of metal thiophosphate InPS4

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Nayak, Vikas; Kumari, Meena; Yadav, Priya; Nautiyal, Shashank; Verma, U. P.

2017-05-01

The non-centrosymmetric crystal, InPS4, has been investigated by means of density functional theory (DFT). In this paper we have calculated the structural parameters, electronic band structures, density of states plot and magnetic properties using full potential linearized augmented plane wave (FP-LAPW) method. The exchange correlation has been solved employing the generalised gradient approximation due to Perdew-Burke-Ernzerhof. The calculations are performed both without spin as well as spin polarized. The results show that InPS4 is an indirect band gap semiconductor with (N-Г) energy gap of 2.32eV (without spin) and 1.86eV in spin up and down channels.The obtained lattice parameters and energy gap agree well with the experimental results. Our reported magnetic moment results show that the property of InPS4is nonmagnetic.

Magnetic field of longitudinal gradient bend

NASA Astrophysics Data System (ADS)

Aiba, Masamitsu; Böge, Michael; Ehrlichman, Michael; Streun, Andreas

2018-06-01

The longitudinal gradient bend is an effective method for reducing the natural emittance in light sources. It is, however, not a common element. We have analyzed its magnetic field and derived a set of formulae. Based on the derivation, we discuss how to model the longitudinal gradient bend in accelerator codes that are used for designing electron storage rings. Strengths of multipole components can also be evaluated from the formulae, and we investigate the impact of higher order multipole components in a very low emittance lattice.

A Lattice-Misfit-Dependent Damage Model for Non-linear Damage Accumulations Under Monotonous Creep in Single Crystal Superalloys

NASA Astrophysics Data System (ADS)

le Graverend, J.-B.

2018-05-01

A lattice-misfit-dependent damage density function is developed to predict the non-linear accumulation of damage when a thermal jump from 1050 °C to 1200 °C is introduced somewhere in the creep life. Furthermore, a phenomenological model aimed at describing the evolution of the constrained lattice misfit during monotonous creep load is also formulated. The response of the lattice-misfit-dependent plasticity-coupled damage model is compared with the experimental results obtained at 140 and 160 MPa on the first generation Ni-based single crystal superalloy MC2. The comparison reveals that the damage model is well suited at 160 MPa and less at 140 MPa because the transfer of stress to the γ' phase occurs for stresses above 150 MPa which leads to larger variations and, therefore, larger effects of the constrained lattice misfit on the lifetime during thermo-mechanical loading.

Critical temperature of noninteracting bosonic gases in cubic optical lattices at arbitrary integer fillings.

PubMed

Rakhimov, Abdulla; Askerzade, Iman N

2014-09-01

We have shown that the critical temperature of a Bose-Einstein condensate to a normal phase transition of noninteracting bosons in cubic optical lattices has a linear dependence on the filling factor, especially at large densities. The condensed fraction exhibits a linear power law dependence on temperature in contrast to the case of ideal homogeneous Bose gases.

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

Tsai, C. -Y.; Douglas, D.; Li, R.

Microbunching instability (MBI) has been one of the most challenging issues in designs of magnetic chicanes for short-wavelength free-electron lasers or linear colliders, as well as those of transport lines for recirculating or energy-recovery-linac machines. To quantify MBI for a recirculating machine and for more systematic analyses, we have recently developed a linear Vlasov solver and incorporated relevant collective effects into the code, including the longitudinal space charge, coherent synchrotron radiation, and linac geometric impedances, with extension of the existing formulation to include beam acceleration. In our code, we semianalytically solve the linearized Vlasov equation for microbunching amplification factor formore » an arbitrary linear lattice. In this study we apply our code to beam line lattices of two comparative isochronous recirculation arcs and one arc lattice preceded by a linac section. The resultant microbunching gain functions and spectral responses are presented, with some results compared to particle tracking simulation by elegant (M. Borland, APS Light Source Note No. LS-287, 2002). These results demonstrate clearly the impact of arc lattice design on the microbunching development. Lastly, the underlying physics with inclusion of those collective effects is elucidated and the limitation of the existing formulation is also discussed.« less

Quantum Entanglement in Optical Lattice Systems

DTIC Science & Technology

2015-02-18

Zitterbewegung oscillation was first predicted by Schroedinger in 1930 for relativistic Dirac electrons where it arises from the interference...magnetic gradient. The gradient affected the Rabi cycling rate, leading to a phase winding along the long axis of the cigar -shaped BEC. While the single...approach is applicable to spherically symmetric, strictly two- dimensional, strictly one-dimensional, cigar -shaped, and pancake-shaped traps and has

Optimization of non-linear gradient in hydrophobic interaction chromatography for the analytical characterization of antibody-drug conjugates.

PubMed

Bobály, Balázs; Randazzo, Giuseppe Marco; Rudaz, Serge; Guillarme, Davy; Fekete, Szabolcs

2017-01-20

The goal of this work was to evaluate the potential of non-linear gradients in hydrophobic interaction chromatography (HIC), to improve the separation between the different homologous species (drug-to-antibody, DAR) of commercial antibody-drug conjugates (ADC). The selectivities between Brentuximab Vedotin species were measured using three different gradient profiles, namely linear, power function based and logarithmic ones. The logarithmic gradient provides the most equidistant retention distribution for the DAR species and offers the best overall separation of cysteine linked ADC in HIC. Another important advantage of the logarithmic gradient, is its peak focusing effect for the DAR0 species, which is particularly useful to improve the quantitation limit of DAR0. Finally, the logarithmic behavior of DAR species of ADC in HIC was modelled using two different approaches, based on i) the linear solvent strength theory (LSS) and two scouting linear gradients and ii) a new derived equation and two logarithmic scouting gradients. In both cases, the retention predictions were excellent and systematically below 3% compared to the experimental values. Copyright © 2016 Elsevier B.V. All rights reserved.

Lieb polariton topological insulators

NASA Astrophysics Data System (ADS)

Li, Chunyan; Ye, Fangwei; Chen, Xianfeng; Kartashov, Yaroslav V.; Ferrando, Albert; Torner, Lluis; Skryabin, Dmitry V.

2018-02-01

We predict that the interplay between the spin-orbit coupling, stemming from the transverse electric-transverse magnetic energy splitting, and the Zeeman effect in semiconductor microcavities supporting exciton-polariton quasiparticles, results in the appearance of unidirectional linear topological edge states when the top microcavity mirror is patterned to form a truncated dislocated Lieb lattice of cylindrical pillars. Periodic nonlinear edge states are found to emerge from the linear ones. They are strongly localized across the interface and they are remarkably robust in comparison to their counterparts in honeycomb lattices. Such robustness makes possible the existence of nested unidirectional dark solitons that move steadily along the lattice edge.

Instanton dominance over αs at low momenta from lattice QCD simulations at Nf = 0, Nf = 2 + 1 and Nf = 2 + 1 + 1

NASA Astrophysics Data System (ADS)

Athenodorou, Andreas; Boucaud, Philippe; de Soto, Feliciano; Rodríguez-Quintero, José; Zafeiropoulos, Savvas

2018-03-01

We report on an instanton-based analysis of the gluon Green functions in the Landau gauge for low momenta; in particular we use lattice results for αs in the symmetric momentum subtraction scheme (MOM) for large-volume lattice simulations. We have exploited quenched gauge field configurations, Nf = 0, with both Wilson and tree-level Symanzik improved actions, and unquenched ones with Nf = 2 + 1 and Nf = 2 + 1 + 1 dynamical flavors (domain wall and twisted-mass fermions, respectively). We show that the dominance of instanton correlations on the low-momenta gluon Green functions can be applied to the determination of phenomenological parameters of the instanton liquid and, eventually, to a determination of the lattice spacing. We furthermore apply the Gradient Flow to remove short-distance fluctuations. The Gradient Flow gets rid of the QCD scale, ΛQCD, and reveals that the instanton prediction extents to large momenta. For those gauge field configurations free of quantum fluctuations, the direct study of topological charge density shows the appearance of large-scale lumps that can be identified as instantons, giving access to a direct study of the instanton density and size distribution that is compatible with those extracted from the analysis of the Green functions.

Nonlinear dust-lattice waves: a modified Toda lattice

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

Cramer, N. F.

Charged dust grains in a plasma interact with a Coulomb potential, but also with an exponential component to the potential, due to Debye shielding in the background plasma. Here we investigate large-amplitude oscillations and waves in dust-lattices, employing techniques used in Toda lattice analysis. The lattice consists of a linear chain of particles, or a periodic ring as occurs in experimentally observed dust particle clusters. The particle motion has a triangular waveform, and chaotic motion for large amplitude motion of a grain.

Nonperturbative β function of eight-flavor SU(3) gauge theory

NASA Astrophysics Data System (ADS)

Hasenfratz, Anna; Schaich, David; Veernala, Aarti

2015-06-01

We present a new lattice study of the discrete β function for SU(3) gauge theory with N f = 8 massless flavors of fermions in the fundamental representation. Using the gradient flow running coupling, and comparing two different nHYP-smeared staggered lattice actions, we calculate the 8-flavor step-scaling function at significantly stronger couplings than were previously accessible. Our continuum-extrapolated results for the discrete β function show no sign of an IR fixed point up to couplings of g 2 ≈ 14. At the same time, we find that the gradient flow coupling runs much more slowly than predicted by two-loop perturbation theory, reinforcing previous indications that the 8-flavor system possesses nontrivial strongly coupled IR dynamics with relevance to BSM phenomenology.

Eliminating cubic terms in the pseudopotential lattice Boltzmann model for multiphase flow

NASA Astrophysics Data System (ADS)

Huang, Rongzong; Wu, Huiying; Adams, Nikolaus A.

2018-05-01

It is well recognized that there exist additional cubic terms of velocity in the lattice Boltzmann (LB) model based on the standard lattice. In this work, elimination of these cubic terms in the pseudopotential LB model for multiphase flow is investigated, where the force term and density gradient are considered. By retaining high-order (≥3 ) Hermite terms in the equilibrium distribution function and the discrete force term, as well as introducing correction terms in the LB equation, the additional cubic terms of velocity are entirely eliminated. With this technique, the computational simplicity of the pseudopotential LB model is well maintained. Numerical tests, including stationary and moving flat and circular interface problems, are carried out to show the effects of such cubic terms on the simulation of multiphase flow. It is found that the elimination of additional cubic terms is beneficial to reduce the numerical error, especially when the velocity is relatively large. Numerical results also suggest that these cubic terms mainly take effect in the interfacial region and that the density-gradient-related cubic terms are more important than the other cubic terms for multiphase flow.

Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices

NASA Technical Reports Server (NTRS)

Freund, Roland

1989-01-01

We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.

Lattice Parameter Behavior with Different Nd and O Concentrations in (U 1-yNd y)O 2±x Solid Solution

DOE PAGES

Lee, Seung Min; Knight, Travis W.; Voit, Stwart L.; ...

2016-02-02

The solid solution of (U1-yFPy)O- 2±x, has the same fluorite structure as UO 2±x lambda, and the lattice parameter is affected by dissolved fission product and oxygen concentrations. We investigated the relation between the lattice parameter and the concentrations of neodymium and oxygen in the fluorite structure of (U 1-yNd y)O 2±x using X-ray diffraction. Moreover, the lattice parameter behavior in the (U 1-yNd y)O 2±x, solid solution shows a linear change as a function of the oxygen-to-metal ratio and solubility of neodymium. The lattice parameter depends on the radii of ions forming the fluorite structure and also can bemore » expressed by a particular rule (modified Vegard's law). Furthermore, the numerical analyses of the lattice parameters for the stoichiometric and nonstoichionietric solid solutions were conducted, and the lattice parameter model for the (U1-yNdy)O 2±x, solid solution was assessed. There is a very linear relationship between the lattice parameter and the Nd and O concentration for the stoichiometry and nonstoichiometry of the (U 1-yNd y)O 2±x solid solution was verified.« less

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

Lee, Seung Min; Knight, Travis W.; Voit, Stwart L.

The solid solution of (U1-yFPy)O- 2±x, has the same fluorite structure as UO 2±x lambda, and the lattice parameter is affected by dissolved fission product and oxygen concentrations. We investigated the relation between the lattice parameter and the concentrations of neodymium and oxygen in the fluorite structure of (U 1-yNd y)O 2±x using X-ray diffraction. Moreover, the lattice parameter behavior in the (U 1-yNd y)O 2±x, solid solution shows a linear change as a function of the oxygen-to-metal ratio and solubility of neodymium. The lattice parameter depends on the radii of ions forming the fluorite structure and also can bemore » expressed by a particular rule (modified Vegard's law). Furthermore, the numerical analyses of the lattice parameters for the stoichiometric and nonstoichionietric solid solutions were conducted, and the lattice parameter model for the (U1-yNdy)O 2±x, solid solution was assessed. There is a very linear relationship between the lattice parameter and the Nd and O concentration for the stoichiometry and nonstoichiometry of the (U 1-yNd y)O 2±x solid solution was verified.« less

Modelling of Dictyostelium discoideum movement in a linear gradient of chemoattractant.

PubMed

Eidi, Zahra; Mohammad-Rafiee, Farshid; Khorrami, Mohammad; Gholami, Azam

2017-11-15

Chemotaxis is a ubiquitous biological phenomenon in which cells detect a spatial gradient of chemoattractant, and then move towards the source. Here we present a position-dependent advection-diffusion model that quantitatively describes the statistical features of the chemotactic motion of the social amoeba Dictyostelium discoideum in a linear gradient of cAMP (cyclic adenosine monophosphate). We fit the model to experimental trajectories that are recorded in a microfluidic setup with stationary cAMP gradients and extract the diffusion and drift coefficients in the gradient direction. Our analysis shows that for the majority of gradients, both coefficients decrease over time and become negative as the cells crawl up the gradient. The extracted model parameters also show that besides the expected drift in the direction of the chemoattractant gradient, we observe a nonlinear dependency of the corresponding variance on time, which can be explained by the model. Furthermore, the results of the model show that the non-linear term in the mean squared displacement of the cell trajectories can dominate the linear term on large time scales.

Novel BTlGaN semiconducting materials for infrared opto-electronic devices

NASA Astrophysics Data System (ADS)

Assali, Abdenacer; Bouslama, M'hamed

2017-03-01

BTlGaN quaternary alloys are proposed as new semiconductor materials for infrared opto-electronic applications. The structural and opto-electronic properties of zinc blende BxTlyGa1-x-yN alloys lattice matched to GaN with (0 ⩽ x and y ⩽ 0.187) are studied using density functional theory (DFT) within full-potential linearized augmented plane wave (FP-LAPW) method. The calculated structural parameters such as lattice constant a0 and bulk modulus B0 are found to be in good agreement with experimental data using the new form of generalized gradient approximation (GGA-WC). The band gaps of the compounds are also found very close to the experimental results using the recently developed Tran-Blaha-modified Becke-Johnson (TB-mBJ) exchange potential. A quaternary BxTlyGa1-x-yN is expected to be lattice matched to the GaN substrate with concentrations x = 0.125 and y = 0.187 allows to produce high interface layers quality. It has been found that B incorporation into BTlGaN does not significantly affect the band gap, while the addition of dilute Tl content leads to induce a strong reduction of the band gap, which in turn increases the emission wavelengths to the infrared region. The refractivity, reflectivity and absorption coefficient of these alloys were investigated. BTlGaN/GaN is an interesting new material to be used as active layer/barriers in quantum wells suitable for realizing advanced Laser Diodes and Light-Emitting Diodes as new sources of light emitting in the infrared spectrum region.

Regularized lattice Boltzmann model for immiscible two-phase flows with power-law rheology

NASA Astrophysics Data System (ADS)

Ba, Yan; Wang, Ningning; Liu, Haihu; Li, Qiang; He, Guoqiang

2018-03-01

In this work, a regularized lattice Boltzmann color-gradient model is developed for the simulation of immiscible two-phase flows with power-law rheology. This model is as simple as the Bhatnagar-Gross-Krook (BGK) color-gradient model except that an additional regularization step is introduced prior to the collision step. In the regularization step, the pseudo-inverse method is adopted as an alternative solution for the nonequilibrium part of the total distribution function, and it can be easily extended to other discrete velocity models no matter whether a forcing term is considered or not. The obtained expressions for the nonequilibrium part are merely related to macroscopic variables and velocity gradients that can be evaluated locally. Several numerical examples, including the single-phase and two-phase layered power-law fluid flows between two parallel plates, and the droplet deformation and breakup in a simple shear flow, are conducted to test the capability and accuracy of the proposed color-gradient model. Results show that the present model is more stable and accurate than the BGK color-gradient model for power-law fluids with a wide range of power-law indices. Compared to its multiple-relaxation-time counterpart, the present model can increase the computing efficiency by around 15%, while keeping the same accuracy and stability. Also, the present model is found to be capable of reasonably predicting the critical capillary number of droplet breakup.

Time evolution of linearized gauge field fluctuations on a real-time lattice

NASA Astrophysics Data System (ADS)

Kurkela, A.; Lappi, T.; Peuron, J.

2016-12-01

Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Due to instabilities, small quantum fluctuations on top of the classical background may significantly affect the dynamics of the system. In this paper we argue for the need for a numerical calculation of a system of classical gauge fields and small linearized fluctuations in a way that keeps the separation between the two manifest. We derive and test an explicit algorithm to solve these equations on the lattice, maintaining gauge invariance and Gauss' law.

Generalized three-dimensional lattice Boltzmann color-gradient method for immiscible two-phase pore-scale imbibition and drainage in porous media

NASA Astrophysics Data System (ADS)

Leclaire, Sébastien; Parmigiani, Andrea; Malaspinas, Orestis; Chopard, Bastien; Latt, Jonas

2017-03-01

This article presents a three-dimensional numerical framework for the simulation of fluid-fluid immiscible compounds in complex geometries, based on the multiple-relaxation-time lattice Boltzmann method to model the fluid dynamics and the color-gradient approach to model multicomponent flow interaction. New lattice weights for the lattices D3Q15, D3Q19, and D3Q27 that improve the Galilean invariance of the color-gradient model as well as for modeling the interfacial tension are derived and provided in the Appendix. The presented method proposes in particular an approach to model the interaction between the fluid compound and the solid, and to maintain a precise contact angle between the two-component interface and the wall. Contrarily to previous approaches proposed in the literature, this method yields accurate solutions even in complex geometries and does not suffer from numerical artifacts like nonphysical mass transfer along the solid wall, which is crucial for modeling imbibition-type problems. The article also proposes an approach to model inflow and outflow boundaries with the color-gradient method by generalizing the regularized boundary conditions. The numerical framework is first validated for three-dimensional (3D) stationary state (Jurin's law) and time-dependent (Washburn's law and capillary waves) problems. Then, the usefulness of the method for practical problems of pore-scale flow imbibition and drainage in porous media is demonstrated. Through the simulation of nonwetting displacement in two-dimensional random porous media networks, we show that the model properly reproduces three main invasion regimes (stable displacement, capillary fingering, and viscous fingering) as well as the saturating zone transition between these regimes. Finally, the ability to simulate immiscible two-component flow imbibition and drainage is validated, with excellent results, by numerical simulations in a Berea sandstone, a frequently used benchmark case used in this field, using a complex geometry that originates from a 3D scan of a porous sandstone. The methods presented in this article were implemented in the open-source PALABOS library, a general C++ matrix-based library well adapted for massive fluid flow parallel computation.

Molecular Dynamics Simulation Studies of Fracture in Two Dimensions

DTIC Science & Technology

1980-05-01

reversibility of trajectories. The microscopic elastic constants, dispersion relation and phonon spectrum of the system were determined by lattice dynamics. These... linear elasticity theory of a two-dimensional crack embedded in an infinite medium. System con- sists of 436 particles arranged in a tri- angular lattice ...satisfying these demands. In evaluating the mechanical energy of his model, Griffith used a result from linear elasticity theory, namely that for any body

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.

Swelling Mechanisms of UO2 Lattices with Defect Ingrowths

PubMed Central

Günay, Seçkin D.

2015-01-01

The swelling that occurs in uranium dioxide as a result of radiation-induced defect ingrowth is not fully understood. Experimental and theoretical groups have attempted to explain this phenomenon with various complex theories. In this study, experimental lattice expansion and lattice super saturation were accurately reproduced using a molecular dynamics simulation method. Based on their resemblance to experimental data, the simulation results presented here show that fission induces only oxygen Frenkel pairs while alpha particle irradiation results in both oxygen and uranium Frenkel pair defects. Moreover, in this work, defects are divided into two sub-groups, obstruction type defects and distortion type defects. It is shown that obstruction type Frenkel pairs are responsible for both fission- and alpha-particle-induced lattice swelling. Relative lattice expansion was found to vary linearly with the number of obstruction type uranium Frenkel defects. Additionally, at high concentrations, some of the obstruction type uranium Frenkel pairs formed diatomic and triatomic structures with oxygen ions in their octahedral cages, increasing the slope of the linear dependence. PMID:26244777

Matter-wave two-dimensional solitons in crossed linear and nonlinear optical lattices

NASA Astrophysics Data System (ADS)

da Luz, H. L. F.; Abdullaev, F. Kh.; Gammal, A.; Salerno, M.; Tomio, Lauro

2010-10-01

The existence of multidimensional matter-wave solitons in a crossed optical lattice (OL) with a linear optical lattice (LOL) in the x direction and a nonlinear optical lattice (NOL) in the y direction, where the NOL can be generated by a periodic spatial modulation of the scattering length using an optically induced Feshbach resonance is demonstrated. In particular, we show that such crossed LOLs and NOLs allow for stabilizing two-dimensional solitons against decay or collapse for both attractive and repulsive interactions. The solutions for the soliton stability are investigated analytically, by using a multi-Gaussian variational approach, with the Vakhitov-Kolokolov necessary criterion for stability; and numerically, by using the relaxation method and direct numerical time integrations of the Gross-Pitaevskii equation. Very good agreement of the results corresponding to both treatments is observed.

Mechanical, electronic and thermodynamic properties of full Heusler compounds Fe2VX(X = Al, Ga)

NASA Astrophysics Data System (ADS)

Khalfa, M.; Khachai, H.; Chiker, F.; Baki, N.; Bougherara, K.; Yakoubi, A.; Murtaza, G.; Harmel, M.; Abu-Jafar, M. S.; Omran, S. Bin; Khenata, R.

2015-11-01

The electronic structure, mechanical and thermodynamic properties of Fe2VX, (with X = Al and Ga), have been studied self consistently by employing state-of-the-art full-potential linearized approach of augmented plane wave plus local orbitals (FP-LAPW + lo) method. The exchange-correlation potential is treated with the local density and generalized gradient approximations (LDA and GGA). Our predicted ground state properties such as lattice constants, bulk modulus and elastic constants appear more accurate when we employed the GGA rather than the LDA, and these results are in very good agreement with the available experimental and theoretical data. Further, thermodynamic properties of Fe2VAl and Fe2VGa are predicted with pressure and temperature in the ranges of 0-40 GPa and 0-1500 K using the quasi-harmonic Debye model. We have obtained successfully the variations of the heat capacities, primitive cell volume and volume expansion coefficient.

Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

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

Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P.

2016-05-06

The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustratemore » the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.« less

DFT-BASED AB INITIO STUDY OF THE ELECTRONIC AND OPTICAL PROPERTIES OF CESIUM BASED FLUORO-PEROVSKITE CsMF3 (M = Ca AND Sr)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, M.; Khenata, R.; Baki, N.; Haddou, A.; Abbar, B.; UǦUR, Ş.; Omran, S. Bin; Soyalp, F.

2012-12-01

Density functional theory (DFT) is performed to study the structural, electronic and optical properties of cubic fluoroperovskite AMF3 (A = Cs; M = Ca and Sr) compounds. The calculations are based on the total-energy calculations within the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential is treated by local density approximation (LDA) and generalized gradient approximation (GGA). The structural properties, including lattice constants, bulk modulus and their pressure derivatives are in very good agreement with the available experimental and theoretical data. The calculations of the electronic band structure, density of states and charge density reveal that compounds are both ionic insulators. The optical properties (namely: the real and the imaginary parts of the dielectric function ɛ(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 40.0 eV.

High-pressure structural, elastic, and electronic properties of the scintillator host material KMgF3

NASA Astrophysics Data System (ADS)

Vaitheeswaran, G.; Kanchana, V.; Kumar, Ravhi S.; Cornelius, A. L.; Nicol, M. F.; Svane, A.; Delin, A.; Johansson, B.

2007-07-01

The high-pressure structural behavior of the fluoroperovskite KMgF3 is investigated by theory and experiment. Density functional calculations were performed within the local density approximation and the generalized gradient approximation for exchange and correlation effects, as implemented within the full-potential linear muffin-tin orbital method. In situ high-pressure powder x-ray diffraction experiments were performed up to a maximum pressure of 40GPa using synchrotron radiation. We find that the cubic Pm3¯m crystal symmetry persists throughout the pressure range studied. The calculated ground state properties—the equilibrium lattice constant, bulk modulus, and elastic constants—are in good agreement with experimental results. By analyzing the ratio between the bulk and shear moduli, we conclude that KMgF3 is brittle in nature. Under ambient conditions, KMgF3 is found to be an indirect gap insulator, with the gap increasing under pressure.

Ab-initio investigation of Rb substitution in KTP single crystal

NASA Astrophysics Data System (ADS)

Ghoohestani, Marzieh; Arab, Ali; Hashemifar, S. Javad; Sadeghi, Hossein

2018-01-01

The effects of rubidium doping on the structural, electronic, and optical properties of KTiOPO4 (KTP) are investigated in the framework of density functional theory. The equilibrium structural parameters of KTP and RbTiOPO4 (RTP) are calculated within the local density and Perdew-Burke-Ernzerhof (PBE), Wu-Cohen, and PBEsol formulation of generalized gradient approximations. We discuss that PBEsol predicts better equilibrium parameters for the KTP alloy. In addition, the variation of lattice constants and Ti-O-Ti bond angles are evaluated as a function of rubidium concentration. The modern modified Becke-Johnson functional is applied for more accurate band gap determination in the pure and alloyed KTP/RTP compounds. The phenomenological pseudoinversion parameter is calculated for a qualitative understanding of the effect of impurity on a non-linear optical response of KTP. We also analyze the behavior of the dielectric function, dispersive refractive indices, and birefringence of KTP/RTP alloys.

Ab-initio study of double perovskite Ba2YSbO6

NASA Astrophysics Data System (ADS)

Mondal, Golak; Jha, D.; Himanshu, A. K.; Lahiri, J.; Singh, B. K.; Kumar, Uday; Ray, Rajyavardhan

2018-04-01

The density functional theory with generalized gradient approximation has been used to investigate the electronic structure of double perovskite oxide Ba2YSbO6 (BYS) synthesized in polycrystalline form by solid state reaction. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Riedvelt analysis of the XRD pattern. The crystal structure is cubic, space group being Fm-3m (No. 225) with the lattice parameter, a = 8.424 Å. Optical band-gap of this system has been calculated using UV-Vis Spectroscopy and Kubelka-Munk (KM) function, having the value 4.56eV. A detailed study of the electronic properties has also been carried out using the Full-Potential Linear Augmented Plane Wave (FPLAPW) as implemented in WIEN2k. BYS is found to be a large band-gap insulator with potential technological applications, such as dielectric resonators and filters in microwave applications.

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

NASA Astrophysics Data System (ADS)

Dabhi, Shweta D.; Gupta, Sanjay D.; Jha, Prafulla K.

2014-05-01

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

A penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography.

PubMed

Shang, Shang; Bai, Jing; Song, Xiaolei; Wang, Hongkai; Lau, Jaclyn

2007-01-01

Conjugate gradient method is verified to be efficient for nonlinear optimization problems of large-dimension data. In this paper, a penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography (FMT) is presented. The algorithm combines the linear conjugate gradient method and the nonlinear conjugate gradient method together based on a restart strategy, in order to take advantage of the two kinds of conjugate gradient methods and compensate for the disadvantages. A quadratic penalty method is adopted to gain a nonnegative constraint and reduce the illposedness of the problem. Simulation studies show that the presented algorithm is accurate, stable, and fast. It has a better performance than the conventional conjugate gradient-based reconstruction algorithms. It offers an effective approach to reconstruct fluorochrome information for FMT.

Stationary-phase optimized selectivity liquid chromatography: development of a linear gradient prediction algorithm.

PubMed

De Beer, Maarten; Lynen, Fréderic; Chen, Kai; Ferguson, Paul; Hanna-Brown, Melissa; Sandra, Pat

2010-03-01

Stationary-phase optimized selectivity liquid chromatography (SOS-LC) is a tool in reversed-phase LC (RP-LC) to optimize the selectivity for a given separation by combining stationary phases in a multisegment column. The presently (commercially) available SOS-LC optimization procedure and algorithm are only applicable to isocratic analyses. Step gradient SOS-LC has been developed, but this is still not very elegant for the analysis of complex mixtures composed of components covering a broad hydrophobicity range. A linear gradient prediction algorithm has been developed allowing one to apply SOS-LC as a generic RP-LC optimization method. The algorithm allows operation in isocratic, stepwise, and linear gradient run modes. The features of SOS-LC in the linear gradient mode are demonstrated by means of a mixture of 13 steroids, whereby baseline separation is predicted and experimentally demonstrated.

Effect of pressure variation on structural, elastic, mechanical, optoelectronic and thermodynamic properties of SrNaF3 fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-12-01

The effect of pressure variation on structural, electronic, elastic, mechanical, optical and thermodynamic characteristics of cubic SrNaF3 fluoroperovskite have been investigated by employing first-principles method within the framework of gradient approximation (GGA). For the total energy calculations, we have used the full-potential linearized augmented plane wave (FP-LAPW) method. Thermodynamic properties are computed in terms of quasi-harmonic Debye model. The pressure effects are determined in the range of 0-25 GPa, in which mechanical stability of SrNaF3 fluoroperovskite remains valid. A prominent decrease in lattice constant and bonds length is observed with the increase in pressure from 0 to 25 GPa. The effect of increase in pressure on band structure calculations with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential reveals a predominant characteristic associated with widening of bandgap. The influence of pressure on set of isotropic elastic parameters and their related properties are numerically estimated for SrNaF3 polycrystalline aggregate. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is observed as pressure is increased from 0 to 25 GPa. We have successfully obtained variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities with pressure and temperature in the range of 0-25 GPa and 0-600 K. All the calculated optical properties such as the complex dielectric function ɛ(ω), optical conductivity σ(ω), energy loss function L(ω), absorption coefficient α(w), refractive index n(ω), reflectivity R(ω), and effective number of electrons n eff, via sum rules shift towards the higher energies under the application of pressure.

Instanton dominance over $$a_s$$ at low momenta from lattice QCD simulations at $$N_f=0$$, $$N_f=2+1$$ and $$N_f=2+1+1$$

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

Athenodorou, Andreas; Boucaud, Philippe; de Soto, Feliciano

We report on an instanton-based analysis of the gluon Green functions in the Landau gauge for low momenta; in particular we use lattice results for αs in the symmetric momentum subtraction scheme (MOM) for large-volume lattice simulations. We have exploited quenched gauge field configurations, Nf = 0, with both Wilson and tree-level Symanzik improved actions, and unquenched ones with Nf = 2 + 1 and Nf = 2 + 1 + 1 dynamical flavors (domain wall and twisted-mass fermions, respectively).We show that the dominance of instanton correlations on the low-momenta gluon Green functions can be applied to the determination ofmore » phenomenological parameters of the instanton liquid and, eventually, to a determination of the lattice spacing.We furthermore apply the Gradient Flow to remove short-distance fluctuations. The Gradient Flow gets rid of the QCD scale, ΛQCD, and reveals that the instanton prediction extents to large momenta. For those gauge field configurations free of quantum fluctuations, the direct study of topological charge density shows the appearance of large-scale lumps that can be identified as instantons, giving access to a direct study of the instanton density and size distribution that is compatible with those extracted from the analysis of the Green functions.« less

Lattice Boltzmann model capable of mesoscopic vorticity computation

NASA Astrophysics Data System (ADS)

Peng, Cheng; Guo, Zhaoli; Wang, Lian-Ping

2017-11-01

It is well known that standard lattice Boltzmann (LB) models allow the strain-rate components to be computed mesoscopically (i.e., through the local particle distributions) and as such possess a second-order accuracy in strain rate. This is one of the appealing features of the lattice Boltzmann method (LBM) which is of only second-order accuracy in hydrodynamic velocity itself. However, no known LB model can provide the same quality for vorticity and pressure gradients. In this paper, we design a multiple-relaxation time LB model on a three-dimensional 27-discrete-velocity (D3Q27) lattice. A detailed Chapman-Enskog analysis is presented to illustrate all the necessary constraints in reproducing the isothermal Navier-Stokes equations. The remaining degrees of freedom are carefully analyzed to derive a model that accommodates mesoscopic computation of all the velocity and pressure gradients from the nonequilibrium moments. This way of vorticity calculation naturally ensures a second-order accuracy, which is also proven through an asymptotic analysis. We thus show, with enough degrees of freedom and appropriate modifications, the mesoscopic vorticity computation can be achieved in LBM. The resulting model is then validated in simulations of a three-dimensional decaying Taylor-Green flow, a lid-driven cavity flow, and a uniform flow passing a fixed sphere. Furthermore, it is shown that the mesoscopic vorticity computation can be realized even with single relaxation parameter.

Standard and inverse bond percolation of straight rigid rods on square lattices

NASA Astrophysics Data System (ADS)

Ramirez, L. S.; Centres, P. M.; Ramirez-Pastor, A. J.

2018-04-01

Numerical simulations and finite-size scaling analysis have been carried out to study standard and inverse bond percolation of straight rigid rods on square lattices. In the case of standard percolation, the lattice is initially empty. Then, linear bond k -mers (sets of k linear nearest-neighbor bonds) are randomly and sequentially deposited on the lattice. Jamming coverage pj ,k and percolation threshold pc ,k are determined for a wide range of k (1 ≤k ≤120 ). pj ,k and pc ,k exhibit a decreasing behavior with increasing k , pj ,k →∞=0.7476 (1 ) and pc ,k →∞=0.0033 (9 ) being the limit values for large k -mer sizes. pj ,k is always greater than pc ,k, and consequently, the percolation phase transition occurs for all values of k . In the case of inverse percolation, the process starts with an initial configuration where all lattice bonds are occupied and, given that periodic boundary conditions are used, the opposite sides of the lattice are connected by nearest-neighbor occupied bonds. Then, the system is diluted by randomly removing linear bond k -mers from the lattice. The central idea here is based on finding the maximum concentration of occupied bonds (minimum concentration of empty bonds) for which connectivity disappears. This particular value of concentration is called the inverse percolation threshold pc,k i, and determines a geometrical phase transition in the system. On the other hand, the inverse jamming coverage pj,k i is the coverage of the limit state, in which no more objects can be removed from the lattice due to the absence of linear clusters of nearest-neighbor bonds of appropriate size. It is easy to understand that pj,k i=1 -pj ,k . The obtained results for pc,k i show that the inverse percolation threshold is a decreasing function of k in the range 1 ≤k ≤18 . For k >18 , all jammed configurations are percolating states, and consequently, there is no nonpercolating phase. In other words, the lattice remains connected even when the highest allowed concentration of removed bonds pj,k i is reached. In terms of network attacks, this striking behavior indicates that random attacks on single nodes (k =1 ) are much more effective than correlated attacks on groups of close nodes (large k 's). Finally, the accurate determination of critical exponents reveals that standard and inverse bond percolation models on square lattices belong to the same universality class as the random percolation, regardless of the size k considered.

Color-gradient lattice Boltzmann model for simulating droplet motion with contact-angle hysteresis.

PubMed

Ba, Yan; Liu, Haihu; Sun, Jinju; Zheng, Rongye

2013-10-01

Lattice Boltzmann method (LBM) is an effective tool for simulating the contact-line motion due to the nature of its microscopic dynamics. In contact-line motion, contact-angle hysteresis is an inherent phenomenon, but it is neglected in most existing color-gradient based LBMs. In this paper, a color-gradient based multiphase LBM is developed to simulate the contact-line motion, particularly with the hysteresis of contact angle involved. In this model, the perturbation operator based on the continuum surface force concept is introduced to model the interfacial tension, and the recoloring operator proposed by Latva-Kokko and Rothman is used to produce phase segregation and resolve the lattice pinning problem. At the solid surface, the color-conserving wetting boundary condition [Hollis et al., IMA J. Appl. Math. 76, 726 (2011)] is applied to improve the accuracy of simulations and suppress spurious currents at the contact line. In particular, we present a numerical algorithm to allow for the effect of the contact-angle hysteresis, in which an iterative procedure is used to determine the dynamic contact angle. Numerical simulations are conducted to verify the developed model, including the droplet partial wetting process and droplet dynamical behavior in a simple shear flow. The obtained results are compared with theoretical solutions and experimental data, indicating that the model is able to predict the equilibrium droplet shape as well as the dynamic process of partial wetting and thus permits accurate prediction of contact-line motion with the consideration of contact-angle hysteresis.

Generalized hydrodynamic transport in lattice-gas automata

NASA Technical Reports Server (NTRS)

Luo, Li-Shi; Chen, Hudong; Chen, Shiyi; Doolen, Gary D.; Lee, Yee-Chun

1991-01-01

The generalized hydrodynamics of two-dimensional lattice-gas automata is solved analytically in the linearized Boltzmann approximation. The dependence of the transport coefficients (kinematic viscosity, bulk viscosity, and sound speed) upon wave number k is obtained analytically. Anisotropy of these coefficients due to the lattice symmetry is studied for the entire range of wave number, k. Boundary effects due to a finite mean free path (Knudsen layer) are analyzed, and accurate comparisons are made with lattice-gas simulations.

Manufacturing and Characterization of 18Ni Marage 300 Lattice Components by Selective Laser Melting.

PubMed

Contuzzi, Nicola; Campanelli, Sabina L; Casavola, Caterina; Lamberti, Luciano

2013-08-13

The spreading use of cellular structures brings the need to speed up manufacturing processes without deteriorating mechanical properties. By using Selective Laser Melting (SLM) to produce cellular structures, the designer has total freedom in defining part geometry and manufacturing is simplified. The paper investigates the suitability of Selective Laser Melting for manufacturing steel cellular lattice structures with characteristic dimensions in the micrometer range. Alternative lattice topologies including reinforcing bars in the vertical direction also are considered. The selected lattice structure topology is shown to be superior over other lattice structure designs considered in literature. Compression tests are carried out in order to evaluate mechanical strength of lattice strut specimens made via SLM. Compressive behavior of samples also is simulated by finite element analysis and numerical results are compared with experimental data in order to assess the constitutive behavior of the lattice structure designs considered in this study. Experimental data show that it is possible to build samples of relative density in the 0.2456-0.4367 range. Compressive strength changes almost linearly with respect to relative density, which in turns depends linearly on the number of vertical reinforces. Specific strength increases with cell and strut edge size. Numerical simulations confirm the plastic nature of the instability phenomena that leads the cellular structures to collapse under compression loading.

Enumeration of Extended m-Regular Linear Stacks.

PubMed

Guo, Qiang-Hui; Sun, Lisa H; Wang, Jian

2016-12-01

The contact map of a protein fold in the two-dimensional (2D) square lattice has arc length at least 3, and each internal vertex has degree at most 2, whereas the two terminal vertices have degree at most 3. Recently, Chen, Guo, Sun, and Wang studied the enumeration of [Formula: see text]-regular linear stacks, where each arc has length at least [Formula: see text] and the degree of each vertex is bounded by 2. Since the two terminal points in a protein fold in the 2D square lattice may form contacts with at most three adjacent lattice points, we are led to the study of extended [Formula: see text]-regular linear stacks, in which the degree of each terminal point is bounded by 3. This model is closed to real protein contact maps. Denote the generating functions of the [Formula: see text]-regular linear stacks and the extended [Formula: see text]-regular linear stacks by [Formula: see text] and [Formula: see text], respectively. We show that [Formula: see text] can be written as a rational function of [Formula: see text]. For a certain [Formula: see text], by eliminating [Formula: see text], we obtain an equation satisfied by [Formula: see text] and derive the asymptotic formula of the numbers of [Formula: see text]-regular linear stacks of length [Formula: see text].

Thermodynamics of a lattice gas with linear attractive potential

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

Pirjol, Dan; Schat, Carlos

We study the equilibrium thermodynamics of a one-dimensional lattice gas with interaction V(|i−j|)=−1/(μn) (ξ−1/n |i−j|) given by the superposition of a universal attractive interaction with strength −1/(μn) ξ<0, and a linear attractive potential 1/(μn{sup 2}) |i−j|. The interaction is rescaled with the lattice size n, such that the thermodynamical limit n → ∞ is well-behaved. The thermodynamical properties of the system can be found exactly, both for a finite size lattice and in the thermodynamical limit n → ∞. The lattice gas can be mapped to a system of non-interacting bosons which are placed on known energy levels. The exactmore » solution shows that the system has a liquid-gas phase transition for ξ > 0. In the large temperature limit T ≫ T{sub 0}(ρ) = ρ{sup 2}/(4μ) with ρ the density, the system becomes spatially homogeneous, and the equation of state is given to a good approximation by a lattice version of the van der Waals equation, with critical temperature T{sub c}{sup (vdW)}=1/(12μ) (3ξ−1)« less

Simulating quantum spin Hall effect in the topological Lieb lattice of a linear circuit network

NASA Astrophysics Data System (ADS)

Zhu, Weiwei; Hou, Shanshan; Long, Yang; Chen, Hong; Ren, Jie

2018-02-01

Inspired by the topological insulator circuit experimentally proposed by Jia Ningyuan et al. [Phys. Rev. X 5, 021031 (2015), 10.1103/PhysRevX.5.021031], we theoretically realize the topological Lieb lattice, a line-centered square lattice with rich topological properties, in a radio-frequency circuit. We design a specific capacitor-inductor connection to resemble the intrinsic spin-orbit coupling and construct the analog spin by mixing degrees of freedom of voltages. As such, we are able to simulate the quantum spin Hall effect in the topological Lieb lattice of linear circuits. We then investigate the spin-resolved topological edge mode and the topological phase transition of the band structure varied with capacitances. Finally, we discuss the extension of the π /2 phase change of hopping between sites to arbitrary phase values. Our results may find implications in engineering microwave topological metamaterials for signal transmission and energy harvesting.

Lattice Boltzmann Equation On a 2D Rectangular Grid

NASA Technical Reports Server (NTRS)

Bouzidi, MHamed; DHumieres, Dominique; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

We construct a multi-relaxation lattice Boltzmann model on a two-dimensional rectangular grid. The model is partly inspired by a previous work of Koelman to construct a lattice BGK model on a two-dimensional rectangular grid. The linearized dispersion equation is analyzed to obtain the constraints on the isotropy of the transport coefficients and Galilean invariance for various wave propagations in the model. The linear stability of the model is also studied. The model is numerically tested for three cases: (a) a vortex moving with a constant velocity on a mesh periodic boundary conditions; (b) Poiseuille flow with an arbitrasy inclined angle with respect to the lattice orientation: and (c) a cylinder &symmetrically placed in a channel. The numerical results of these tests are compared with either analytic solutions or the results obtained by other methods. Satisfactory results are obtained for the numerical simulations.

Ab initio calculations of the elastic and thermodynamic properties of gold under pressure

NASA Astrophysics Data System (ADS)

Smirnov, N. A.

2017-03-01

The paper presents first-principles FP-LMTO calculations on the relative stability of fcc, bcc, hcp and dhcp gold under pressure. They were done in local density approximation (LDA), as well as in generalized gradient approximation (GGA) with and without spin-orbit interaction. Phonon spectra for the considered gold structures were obtained from LDA calculations within linear response theory and the contribution of lattice vibrations to the free energy of the system was determined in quasiharmonic approximation. Our thorough adjustment of FP-LMTO internal parameters (linearization and tail energies, the MT-sphere radius) helped us to obtain results that agree well with the available experimental phase relation Dubrovinsky et al (2007 Phys. Rev. Lett. 98 045503) between fcc and hcp structures of gold under pressure. The calculations suggest that gold compressed at room temperature successively undergoes the following structural changes: fcc\\to hcp\\to bcc . The paper also presents the calculated elastic constants of fcc, bcc and hcp Au, the principal Hugoniot and the melting curve. Calculated results were used to construct the PT-diagram which describes the relative stability of the gold structures under study up to 500 GPa.

Ab initio calculations of the elastic and thermodynamic properties of gold under pressure.

PubMed

Smirnov, N A

2017-03-15

The paper presents first-principles FP-LMTO calculations on the relative stability of fcc, bcc, hcp and dhcp gold under pressure. They were done in local density approximation (LDA), as well as in generalized gradient approximation (GGA) with and without spin-orbit interaction. Phonon spectra for the considered gold structures were obtained from LDA calculations within linear response theory and the contribution of lattice vibrations to the free energy of the system was determined in quasiharmonic approximation. Our thorough adjustment of FP-LMTO internal parameters (linearization and tail energies, the MT-sphere radius) helped us to obtain results that agree well with the available experimental phase relation Dubrovinsky et al (2007 Phys. Rev. Lett. 98 045503) between fcc and hcp structures of gold under pressure. The calculations suggest that gold compressed at room temperature successively undergoes the following structural changes: [Formula: see text]. The paper also presents the calculated elastic constants of fcc, bcc and hcp Au, the principal Hugoniot and the melting curve. Calculated results were used to construct the PT-diagram which describes the relative stability of the gold structures under study up to 500 GPa.

Tunable mega-ampere electron current propagation in solids by dynamic control of lattice melt

DOE PAGES

MacLellan, D.  A.; Carroll, D.  C.; Gray, R.  J.; ...

2014-10-31

The influence of lattice-melt-induced resistivity gradients on the transport of mega-ampere currents of fast electrons in solids is investigated numerically and experimentally using laser-accelerated protons to induce isochoric heating. Tailoring the heating profile enables the resistive magnetic fields which strongly influence the current propagation to be manipulated. This tunable laser-driven process enables important fast electron beam properties, including the beam divergence, profile, and symmetry to be actively tailored, and without recourse to complex target manufacture.

Topological lattice using multi-frequency radiation

NASA Astrophysics Data System (ADS)

Andrijauskas, Tomas; Spielman, I. B.; Juzeliūnas, Gediminas

2018-05-01

We describe a novel technique for creating an artificial magnetic field for ultracold atoms using a periodically pulsed pair of counter propagating Raman lasers that drive transitions between a pair of internal atomic spin states: a multi-frequency coupling term. In conjunction with a magnetic field gradient, this dynamically generates a rectangular lattice with a non-staggered magnetic flux. For a wide range of parameters, the resulting Bloch bands have non-trivial topology, reminiscent of Landau levels, as quantified by their Chern numbers.

An Assessment of Subsurface Residual Stress Analysis in SLM Ti-6Al-4V

PubMed Central

Mishurova, Tatiana; Cabeza, Sandra; Artzt, Katia; Haubrich, Jan; Klaus, Manuela; Genzel, Christoph; Requena, Guillermo; Bruno, Giovanni

2017-01-01

Ti-6Al-4V bridges were additively fabricated by selective laser melting (SLM) under different scanning speed conditions, to compare the effect of process energy density on the residual stress state. Subsurface lattice strain characterization was conducted by means of synchrotron diffraction in energy dispersive mode. High tensile strain gradients were found at the frontal surface for samples in an as-built condition. The geometry of the samples promotes increasing strains towards the pillar of the bridges. We observed that the higher the laser energy density during fabrication, the lower the lattice strains. A relief of lattice strains takes place after heat treatment. PMID:28772706

Stabilization of magnetic skyrmions by RKKY interactions

NASA Astrophysics Data System (ADS)

Bezvershenko, Alla V.; Kolezhuk, Alexei K.; Ivanov, Boris A.

2018-02-01

We study the stabilization of an isolated magnetic skyrmion in a magnetic monolayer on a nonmagnetic conducting substrate via the Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interaction. Two different types of the substrate are considered, usual normal metal and single-layer graphene. While the full stability analysis for skyrmions in the presence of the RKKY coupling requires a separate effort that is outside the scope of this work, we are able to study the radial stability (stability of a skyrmion against collapse) using variational energy estimates obtained within first-order perturbation theory, with the unperturbed Hamiltonian describing the isotropic Heisenberg magnet, and the two perturbations being the RKKY exchange and the easy-axis anisotropy. We show that a proper treatment of the long-range nature of the RKKY interaction leads to a qualitatively different stabilization scenario compared to previous studies, where solitons were stabilized by the frustrated exchange coupling (leading to terms with the fourth power of the magnetization gradients) or by the Dzyaloshinskii-Moriya interaction (described by terms linear in the magnetization gradients). In the case of a metallic substrate, the skyrmion stabilization is possible under restrictive conditions on the Fermi surface parameters, while in the case of a graphene substrate the stabilization is naturally achieved in several geometries with a lattice-matching of graphene and magnetic layer.

Nonreciprocal Signal Routing in an Active Quantum Network

NASA Astrophysics Data System (ADS)

Tureci, Hakan E.; Metelmann, Anja

As superconductor quantum technologies are moving towards large-scale integrated circuits, a robust and flexible approach to routing photons at the quantum level becomes a critical problem. Active circuits, which contain driven linear or non-linear elements judiciously embedded in the circuit offer a viable solution. We present a general strategy for routing non-reciprocally quantum signals between two sites of a given lattice of resonators, implementable with existing superconducting circuit components. Our approach makes use of a dual lattice of superconducting non-linear elements on the links connecting the nodes of the main lattice. Solutions for spatially selective driving of the link-elements can be found, which optimally balance coherent and dissipative hopping of microwave photons to non-reciprocally route signals between two given nodes. In certain lattices these optimal solutions are obtained at the exceptional point of the scattering matrix of the network. The presented strategy provides a design space that is governed by a dynamically tunable non-Hermitian generator that can be used to minimize the added quantum noise as well. This work was supported by the U.S. Army Research Office (ARO) under Grant No. W911NF-15-1-0299.

Matter-wave solitons supported by quadrupole-quadrupole interactions and anisotropic discrete lattices

NASA Astrophysics Data System (ADS)

Zhong, Rong-Xuan; Huang, Nan; Li, Huang-Wu; He, He-Xiang; Lü, Jian-Tao; Huang, Chun-Qing; Chen, Zhao-Pin

2018-04-01

We numerically and analytically investigate the formations and features of two-dimensional discrete Bose-Einstein condensate solitons, which are constructed by quadrupole-quadrupole interactional particles trapped in the tunable anisotropic discrete optical lattices. The square optical lattices in the model can be formed by two pairs of interfering plane waves with different intensities. Two hopping rates of the particles in the orthogonal directions are different, which gives rise to a linear anisotropic system. We find that if all of the pairs of dipole and anti-dipole are perpendicular to the lattice panel and the line connecting the dipole and anti-dipole which compose the quadrupole is parallel to horizontal direction, both the linear anisotropy and the nonlocal nonlinear one can strongly influence the formations of the solitons. There exist three patterns of stable solitons, namely horizontal elongation quasi-one-dimensional discrete solitons, disk-shape isotropic pattern solitons and vertical elongation quasi-continuous solitons. We systematically demonstrate the relationships of chemical potential, size and shape of the soliton with its total norm and vertical hopping rate and analytically reveal the linear dispersion relation for quasi-one-dimensional discrete solitons.

Solutions for correlations along the coexistence curve and at the critical point of a kagomé lattice gas with three-particle interactions

NASA Astrophysics Data System (ADS)

Barry, J. H.; Muttalib, K. A.; Tanaka, T.

2008-01-01

We consider a two-dimensional (d=2) kagomé lattice gas model with attractive three-particle interactions around each triangular face of the kagomé lattice. Exact solutions are obtained for multiparticle correlations along the liquid and vapor branches of the coexistence curve and at criticality. The correlation solutions are also determined along the continuation of the curvilinear diameter of the coexistence region into the disordered fluid region. The method generates a linear algebraic system of correlation identities with coefficients dependent only upon the interaction parameter. Using a priori knowledge of pertinent solutions for the density and elementary triplet correlation, one finds a closed and linearly independent set of correlation identities defined upon a spatially compact nine-site cluster of the kagomé lattice. Resulting exact solution curves of the correlations are plotted and discussed as functions of the temperature and are compared with corresponding results in a traditional kagomé lattice gas having nearest-neighbor pair interactions. An example of application for the multiparticle correlations is demonstrated in cavitation theory.

Topological susceptibility from twisted mass fermions using spectral projectors and the gradient flow

NASA Astrophysics Data System (ADS)

Alexandrou, Constantia; Athenodorou, Andreas; Cichy, Krzysztof; Constantinou, Martha; Horkel, Derek P.; Jansen, Karl; Koutsou, Giannis; Larkin, Conor

2018-04-01

We compare lattice QCD determinations of topological susceptibility using a gluonic definition from the gradient flow and a fermionic definition from the spectral-projector method. We use ensembles with dynamical light, strange and charm flavors of maximally twisted mass fermions. For both definitions of the susceptibility we employ ensembles at three values of the lattice spacing and several quark masses at each spacing. The data are fitted to chiral perturbation theory predictions with a discretization term to determine the continuum chiral condensate in the massless limit and estimate the overall discretization errors. We find that both approaches lead to compatible results in the continuum limit, but the gluonic ones are much more affected by cutoff effects. This finally yields a much smaller total error in the spectral-projector results. We show that there exists, in principle, a value of the spectral cutoff which would completely eliminate discretization effects in the topological susceptibility.

Linear solvation energy relationships in normal phase chromatography based on gradient separations.

PubMed

Wu, Di; Lucy, Charles A

2017-09-22

Coupling the modified Soczewiñski model and one gradient run, a gradient method was developed to build a linear solvation energy relationship (LSER) for normal phase chromatography. The gradient method was tested on dinitroanilinopropyl (DNAP) and silica columns with hexane/dichloromethane (DCM) mobile phases. LSER models built based on the gradient separation agree with those derived from a series of isocratic separations. Both models have similar LSER coefficients and comparable goodness of fit, but the LSER model based on gradient separation required fewer trial and error experiments. Copyright © 2017 Elsevier B.V. All rights reserved.

A feasible DY conjugate gradient method for linear equality constraints

NASA Astrophysics Data System (ADS)

LI, Can

2017-09-01

In this paper, we propose a feasible conjugate gradient method for solving linear equality constrained optimization problem. The method is an extension of the Dai-Yuan conjugate gradient method proposed by Dai and Yuan to linear equality constrained optimization problem. It can be applied to solve large linear equality constrained problem due to lower storage requirement. An attractive property of the method is that the generated direction is always feasible and descent direction. Under mild conditions, the global convergence of the proposed method with exact line search is established. Numerical experiments are also given which show the efficiency of the method.

Dirac Theory on a Space with Linear Lie Type Fuzziness

NASA Astrophysics Data System (ADS)

Shariati, Ahmad; Khorrami, Mohammad; Fatollahi, Amir H.

2012-08-01

A spinor theory on a space with linear Lie type noncommutativity among spatial coordinates is presented. The model is based on the Fourier space corresponding to spatial coordinates, as this Fourier space is commutative. When the group is compact, the real space exhibits lattice characteristics (as the eigenvalues of space operators are discrete), and the similarity of such a lattice with ordinary lattices is manifested, among other things, in a phenomenon resembling the famous fermion doubling problem. A projection is introduced to make the dynamical number of spinors equal to that corresponding to the ordinary space. The actions for free and interacting spinors (with Fermi-like interactions) are presented. The Feynman rules are extracted and 1-loop corrections are investigated.

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 a devil's staircase structure.

Manufacturing and Characterization of 18Ni Marage 300 Lattice Components by Selective Laser Melting

PubMed Central

Contuzzi, Nicola; Campanelli, Sabina L.; Casavola, Caterina; Lamberti, Luciano

2013-01-01

The spreading use of cellular structures brings the need to speed up manufacturing processes without deteriorating mechanical properties. By using Selective Laser Melting (SLM) to produce cellular structures, the designer has total freedom in defining part geometry and manufacturing is simplified. The paper investigates the suitability of Selective Laser Melting for manufacturing steel cellular lattice structures with characteristic dimensions in the micrometer range. Alternative lattice topologies including reinforcing bars in the vertical direction also are considered. The selected lattice structure topology is shown to be superior over other lattice structure designs considered in literature. Compression tests are carried out in order to evaluate mechanical strength of lattice strut specimens made via SLM. Compressive behavior of samples also is simulated by finite element analysis and numerical results are compared with experimental data in order to assess the constitutive behavior of the lattice structure designs considered in this study. Experimental data show that it is possible to build samples of relative density in the 0.2456–0.4367 range. Compressive strength changes almost linearly with respect to relative density, which in turns depends linearly on the number of vertical reinforces. Specific strength increases with cell and strut edge size. Numerical simulations confirm the plastic nature of the instability phenomena that leads the cellular structures to collapse under compression loading. PMID:28811445

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 they exhibit decay and revival.

Polychromatic microdiffraction characterization of defect gradients in severely deformed materials.

PubMed

Barabash, Rozaliya I; Ice, Gene E; Liu, Wenjun; Barabash, Oleg M

2009-01-01

This paper analyzes local lattice rotations introduced in severely deformed polycrystalline titanium by friction stir welding. Nondestructive three-dimensional (3D) spatially resolved polychromatic X-ray microdiffraction, is used to resolve the local crystal structure of the restructured surface from neighboring local structures in the sample material. The measurements reveal strong gradients of strain and geometrically necessary dislocations near the surface and illustrate the potential of polychromatic microdiffraction for the study of deformation in complex materials systems.

Gradient pattern analysis applied to galaxy morphology

NASA Astrophysics Data System (ADS)

Rosa, R. R.; de Carvalho, R. R.; Sautter, R. A.; Barchi, P. H.; Stalder, D. H.; Moura, T. C.; Rembold, S. B.; Morell, D. R. F.; Ferreira, N. C.

2018-06-01

Gradient pattern analysis (GPA) is a well-established technique for measuring gradient bilateral asymmetries of a square numerical lattice. This paper introduces an improved version of GPA designed for galaxy morphometry. We show the performance of the new method on a selected sample of 54 896 objects from the SDSS-DR7 in common with Galaxy Zoo 1 catalogue. The results suggest that the second gradient moment, G2, has the potential to dramatically improve over more conventional morphometric parameters. It separates early- from late-type galaxies better (˜ 90 per cent) than the CAS system (C˜ 79 per cent, A˜ 50 per cent, S˜ 43 per cent) and a benchmark test shows that it is applicable to hundreds of thousands of galaxies using typical processing systems.

Gradient Pattern Analysis Applied to Galaxy Morphology

NASA Astrophysics Data System (ADS)

Rosa, R. R.; de Carvalho, R. R.; Sautter, R. A.; Barchi, P. H.; Stalder, D. H.; Moura, T. C.; Rembold, S. B.; Morell, D. R. F.; Ferreira, N. C.

2018-04-01

Gradient pattern analysis (GPA) is a well-established technique for measuring gradient bilateral asymmetries of a square numerical lattice. This paper introduces an improved version of GPA designed for galaxy morphometry. We show the performance of the new method on a selected sample of 54,896 objects from the SDSS-DR7 in common with Galaxy Zoo 1 catalog. The results suggest that the second gradient moment, G2, has the potential to dramatically improve over more conventional morphometric parameters. It separates early from late type galaxies better (˜90%) than the CAS system (C ˜ 79%, A ˜ 50%, S ˜ 43%) and a benchmark test shows that it is applicable to hundreds of thousands of galaxies using typical processing systems.

Inhomogeneous field induced magnetoelectric effect in Mott insulators

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

Boulaevskii, Lev N; Batista, Cristian D

2008-01-01

We consider a Mott insulator like HoMnO{sub 3} whose magnetic lattice is geometrically frustrated and comprises a 3D array of triangular layers with magnetic moments ordered in a 120{sup o} structure. We show that the effect of a uniform magnetic field gradient, {gradient}H, is to redistribute the electronic charge of the magnetically ordered phase leading to a unfirom electric field gradient. The resulting voltage difference between the crystal edges is proportional to the square of the crystal thickness, or inter-edge distance, L. It can reach values of several volts for |{gradient}H| {approx} 0.01 T/cm and L {approx_equal} 1mm, as longmore » as the crystal is free of antiferromagnetic domain walls.« less

Design and fabrication of a metamaterial gradient index diffraction grating at infrared wavelengths.

PubMed

Tsai, Yu-Ju; Larouche, Stéphane; Tyler, Talmage; Lipworth, Guy; Jokerst, Nan M; Smith, David R

2011-11-21

We demonstrate the design, fabrication and characterization of an artificially structured, gradient index metamaterial with a linear index variation of Δn ~ 3.0. The linear gradient profile is repeated periodically to form the equivalent of a blazed grating, with the gradient occurring across a spatial distance of 61 μm. The grating, which operates at a wavelength of 10.6 μm, is composed of non-resonant, progressively modified "I-beam" metamaterial elements and approximates a linear phase shift gradient using 61 distinguishable phase levels. The grating structure consists of four layers of lithographically patterned metallic I-beam elements separated by dielectric layers of SiO(2). The index gradient is confirmed by comparing the measured magnitudes of the -1, 0 and +1 diffracted orders to those obtained from full wave simulations incorporating all material properties of the metals and dielectrics of the structures. The large index gradient has the potential to enable compact infrared diffractive and gradient index optics, as well as more exotic transformation optical media. © 2011 Optical Society of America

Lattice Boltzmann methods for global linear instability analysis

NASA Astrophysics Data System (ADS)

Pérez, José Miguel; Aguilar, Alfonso; Theofilis, Vassilis

2017-12-01

Modal global linear instability analysis is performed using, for the first time ever, the lattice Boltzmann method (LBM) to analyze incompressible flows with two and three inhomogeneous spatial directions. Four linearization models have been implemented in order to recover the linearized Navier-Stokes equations in the incompressible limit. Two of those models employ the single relaxation time and have been proposed previously in the literature as linearization of the collision operator of the lattice Boltzmann equation. Two additional models are derived herein for the first time by linearizing the local equilibrium probability distribution function. Instability analysis results are obtained in three benchmark problems, two in closed geometries and one in open flow, namely the square and cubic lid-driven cavity flow and flow in the wake of the circular cylinder. Comparisons with results delivered by classic spectral element methods verify the accuracy of the proposed new methodologies and point potential limitations particular to the LBM approach. The known issue of appearance of numerical instabilities when the SRT model is used in direct numerical simulations employing the LBM is shown to be reflected in a spurious global eigenmode when the SRT model is used in the instability analysis. Although this mode is absent in the multiple relaxation times model, other spurious instabilities can also arise and are documented herein. Areas of potential improvements in order to make the proposed methodology competitive with established approaches for global instability analysis are discussed.

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.

Bending light via adiabatic optical transition in longitudinally modulated photonic lattices

PubMed Central

Han, Bin; Xu, Lei; Dou, Yiling; Xu, Jingjun; Zhang, Guoquan

2015-01-01

Bending light in a controllable way is desired in various applications such as beam steering, navigating and cloaking. Different from the conventional way to bend light by refractive index gradient, transformation optics or special beams through wavefront design such as Airy beams and surface plasmons, we proposed a mechanism to bend light via resonant adiabatic optical transition between Floquet-Bloch (FB) modes from different FB bands in longitudinally modulated photonic lattices. The band structure of longitudinally modulated photonic lattices was calculated by employing the concept of quasi-energy based on the Floquet-Bloch theory, showing the existence of band discontinuities at specific resonant points which cannot be revealed by the coupled-mode theory. Interestingly, different FB bands can be seamlessly connected at these resonant points in longitudinally modulated photonic lattices driven by adiabatically varying the longitudinal modulation period along the propagation direction, which stimulates the adiabatic FB mode transition between different FB bands. PMID:26511890

Faraday-Shielded dc Stark-Shift-Free Optical Lattice Clock

NASA Astrophysics Data System (ADS)

Beloy, K.; Zhang, X.; McGrew, W. F.; Hinkley, N.; Yoon, T. H.; Nicolodi, D.; Fasano, R. J.; Schäffer, S. A.; Brown, R. C.; Ludlow, A. D.

2018-05-01

We demonstrate the absence of a dc Stark shift in an ytterbium optical lattice clock. Stray electric fields are suppressed through the introduction of an in-vacuum Faraday shield. Still, the effectiveness of the shielding must be experimentally assessed. Such diagnostics are accomplished by applying high voltage to six electrodes, which are grounded in normal operation to form part of the Faraday shield. Our measurements place a constraint on the dc Stark shift at the 10-20 level, in units of the clock frequency. Moreover, we discuss a potential source of error in strategies to precisely measure or cancel nonzero dc Stark shifts, attributed to field gradients coupled with the finite spatial extent of the lattice-trapped atoms. With this consideration, we find that Faraday shielding, complemented with experimental validation, provides both a practically appealing and effective solution to the problem of dc Stark shifts in optical lattice clocks.

Faraday-Shielded dc Stark-Shift-Free Optical Lattice Clock.

PubMed

Beloy, K; Zhang, X; McGrew, W F; Hinkley, N; Yoon, T H; Nicolodi, D; Fasano, R J; Schäffer, S A; Brown, R C; Ludlow, A D

2018-05-04

We demonstrate the absence of a dc Stark shift in an ytterbium optical lattice clock. Stray electric fields are suppressed through the introduction of an in-vacuum Faraday shield. Still, the effectiveness of the shielding must be experimentally assessed. Such diagnostics are accomplished by applying high voltage to six electrodes, which are grounded in normal operation to form part of the Faraday shield. Our measurements place a constraint on the dc Stark shift at the 10^{-20} level, in units of the clock frequency. Moreover, we discuss a potential source of error in strategies to precisely measure or cancel nonzero dc Stark shifts, attributed to field gradients coupled with the finite spatial extent of the lattice-trapped atoms. With this consideration, we find that Faraday shielding, complemented with experimental validation, provides both a practically appealing and effective solution to the problem of dc Stark shifts in optical lattice clocks.

The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

PubMed

Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

2009-03-01

The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

Stability of matter-wave solitons in optical lattices

NASA Astrophysics Data System (ADS)

Ali, Sk. Golam; Roy, S. K.; Talukdar, B.

2010-08-01

We consider localized states of both single- and two-component Bose-Einstein condensates (BECs) confined in a potential resulting from the superposition of linear and nonlinear optical lattices and make use of Vakhitov-Kolokolov criterion to investigate the effect of nonlinear lattice on the stability of the soliton solutions in the linear optical lattice (LOL). For the single-component case we show that a weak nonlinear lattice has very little effect on the stability of such solitons while sufficiently strong nonlinear optical lattice (NOL) squeezes them to produce narrow bound states. For two-component condensates we find that when the strength of the NOL (γ1) is less than that of the LOL (V0) a relatively weak intra-atomic interaction (IAI) has little effect on the stability of the component solitons. This is true for both attractive and repulsive IAI. A strong attractive IAI, however, squeezes the BEC solitons while a similar repulsive IAI makes the component solitons wider. For γ1 > V0, only a strong attractive IAI squeezes the BEC solitons but the squeezing effect is less prominent than that found for γ1 < V0. We make useful checks on the results of our semianalytical stability analysis by solving the appropriate Gross-Pitaevskii equations numerically.

A robust high-order lattice adaptive notch filter and its application to narrowband noise cancellation

NASA Astrophysics Data System (ADS)

Kim, Seong-woo; Park, Young-cheol; Seo, Young-soo; Youn, Dae Hee

2014-12-01

In this paper, we propose a high-order lattice adaptive notch filter (LANF) that can robustly track multiple sinusoids. Unlike the conventional cascade structure, the proposed high-order LANF has robust tracking characteristics regardless of the frequencies of reference sinusoids and initial notch frequencies. The proposed high-order LANF is applied to a narrowband adaptive noise cancellation (ANC) to mitigate the effect of the broadband disturbance in the reference signal. By utilizing the gradient adaptive lattice (GAL) ANC algorithm and approximately combining it with the proposed high-order LANF, a computationally efficient narrowband ANC system is obtained. Experimental results demonstrate the robustness of the proposed high-order LANF and the effectiveness of the obtained narrowband ANC system.

Magnon Hall effect on the Lieb lattice.

PubMed

Cao, Xiaodong; Chen, Kai; He, Dahai

2015-04-29

Ferromagnetic insulators without inversion symmetry may show magnon Hall effect (MHE) in the presence of a temperature gradient due to the existence of Dzyaloshinskii-Moriya interaction (DMI). In this theoretical study, we investigate MHE on a lattice with inversion symmetry, namely the Lieb lattice, where the DMI is introduced by adding an external electric field. We show the nontrivial topology of this model by examining the existence of edge states and computing the topological phase diagram characterized by the Chern numbers of different bands. Together with the topological phase diagram, we can further determine the sign and magnitude of the transverse thermal conductivity. The impact of the flat band possessed by this model on the thermal conductivity is discussed by computing the Berry curvature analytically.

Probing the exchange statistics of one-dimensional anyon models

NASA Astrophysics Data System (ADS)

Greschner, Sebastian; Cardarelli, Lorenzo; Santos, Luis

2018-05-01

We propose feasible scenarios for revealing the modified exchange statistics in one-dimensional anyon models in optical lattices based on an extension of the multicolor lattice-depth modulation scheme introduced in [Phys. Rev. A 94, 023615 (2016), 10.1103/PhysRevA.94.023615]. We show that the fast modulation of a two-component fermionic lattice gas in the presence a magnetic field gradient, in combination with additional resonant microwave fields, allows for the quantum simulation of hardcore anyon models with periodic boundary conditions. Such a semisynthetic ring setup allows for realizing an interferometric arrangement sensitive to the anyonic statistics. Moreover, we show as well that simple expansion experiments may reveal the formation of anomalously bound pairs resulting from the anyonic exchange.

Development of Advanced Thermal and Environmental Barrier Coatings Using a High-Heat-Flux Testing Approach

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Miller, Robert A.

2003-01-01

The development of low conductivity, robust thermal and environmental barrier coatings requires advanced testing techniques that can accurately and effectively evaluate coating thermal conductivity and cyclic resistance at very high surface temperatures (up to 1700 C) under large thermal gradients. In this study, a laser high-heat-flux test approach is established for evaluating advanced low conductivity, high temperature capability thermal and environmental barrier coatings under the NASA Ultra Efficient Engine Technology (UEET) program. The test approach emphasizes the real-time monitoring and assessment of the coating thermal conductivity, which initially rises under the steady-state high temperature thermal gradient test due to coating sintering, and later drops under the cyclic thermal gradient test due to coating cracking/delamination. The coating system is then evaluated based on damage accumulation and failure after the combined steady-state and cyclic thermal gradient tests. The lattice and radiation thermal conductivity of advanced ceramic coatings can also be evaluated using laser heat-flux techniques. The external radiation resistance of the coating is assessed based on the measured specimen temperature response under a laser- heated intense radiation-flux source. The coating internal radiation contribution is investigated based on the measured apparent coating conductivity increases with the coating surface test temperature under large thermal gradient test conditions. Since an increased radiation contribution is observed at these very high surface test temperatures, by varying the laser heat-flux and coating average test temperature, the complex relation between the lattice and radiation conductivity as a function of surface and interface test temperature may be derived.

From the Boltzmann to the Lattice-Boltzmann Equation:. Beyond BGK Collision Models

NASA Astrophysics Data System (ADS)

Philippi, Paulo Cesar; Hegele, Luiz Adolfo; Surmas, Rodrigo; Siebert, Diogo Nardelli; Dos Santos, Luís Orlando Emerich

In this work, we present a derivation for the lattice-Boltzmann equation directly from the linearized Boltzmann equation, combining the following main features: multiple relaxation times and thermodynamic consistency in the description of non isothermal compressible flows. The method presented here is based on the discretization of increasingly order kinetic models of the Boltzmann equation. Following a Gross-Jackson procedure, the linearized collision term is developed in Hermite polynomial tensors and the resulting infinite series is diagonalized after a chosen integer N, establishing the order of approximation of the collision term. The velocity space is discretized, in accordance with a quadrature method based on prescribed abscissas (Philippi et al., Phys. Rev E 73, 056702, 2006). The problem of describing the energy transfer is discussed, in relation with the order of approximation of a two relaxation-times lattice Boltzmann model. The velocity-step, temperature-step and the shock tube problems are investigated, adopting lattices with 37, 53 and 81 velocities.

Lattice QCD calculation using VPP500

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

Kim, Seyong; Ohta, Shigemi

1995-02-01

A new vector parallel supercomputer, Fujitsu VPP500, was installed at RIKEN earlier this year. It consists of 30 vector computers, each with 1.6 GFLOPS peak speed and 256 MB memory, connected by a crossbar switch with 400 MB/s peak data transfer rate each way between any pair of nodes. The authors developed a Fortran lattice QCD simulation code for it. It runs at about 1.1 GFLOPS sustained per node for Metropolis pure-gauge update, and about 0.8 GFLOPS sustained per node for conjugate gradient inversion of staggered fermion matrix.

A method for simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

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

Yang, Xi; Huang, Xiaobiao

2016-05-13

Here, we propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. The fitting results are used for lattice correction. Finally, the method has been successfully demonstrated on the NSLS-II storage ring.

A method for simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

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

Yang, Xi; Huang, Xiaobiao

2016-08-01

We propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. Furthermore, the fitting results are used for lattice correction. Our method has been successfully demonstrated on the NSLS-II storage ring.

A method for simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

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

Yang, Xi; Huang, Xiaobiao

2016-08-01

We propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. The fitting results are used for lattice correction. The method has been successfully demonstrated on the NSLS-II storage ring.

Reconfiguration Schemes for Fault-Tolerant Processor Arrays

DTIC Science & Technology

1992-10-15

partially notion of linear schedule are easily related to similar ordered subset of a multidimensional integer lattice models and concepts used in [11-[131...and several other (called indec set). The points of this lattice correspond works. to (i.e.. are the indices of) computations, and the partial There are...These data dependencies are represented as vectors that of all computations of the algorithm is to be minimized. connect points of the lattice . If a

Systematic generation of buffer systems for pH gradient ion exchange chromatography and their application.

PubMed

Kröner, Frieder; Hubbuch, Jürgen

2013-04-12

pH gradient protein separations are widely used techniques in the field of protein analytics, of which isoelectric focusing is the most well known application. The chromatographic variant, based on the formation of pH gradients in ion exchange columns is only rarely applied due to the difficulties to form controllable, linear pH gradients over a broad pH range. This work describes a method for the systematic generation of buffer compositions with linear titration curves, resulting in well controllable pH gradients. To generate buffer compositions with linear titration curves an in silico method was successfully developed. With this tool, buffer compositions for pH gradient ion exchange chromatography with pH ranges spanning up to 7.5 pH units were established and successfully validated. Subsequently, the buffer systems were used to characterize the elution behavior of 22 different model proteins in cation and anion exchange pH gradient chromatography. The results of both chromatographic modes as well as isoelectric focusing were compared to describe differences in between the methods. Copyright © 2013 Elsevier B.V. All rights reserved.

Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

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

Ruiz Ruiz, J.; White, A. E.; Ren, Y.

2015-12-15

Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which ismore » shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.« less

Pythagoras's theorem on a two-dimensional lattice from a `natural' Dirac operator and Connes's distance formula

NASA Astrophysics Data System (ADS)

Dai, Jian; Song, Xing-Chang

2001-07-01

One of the key ingredients of Connes's noncommutative geometry is a generalized Dirac operator which induces a metric (Connes's distance) on the pure state space. We generalize such a Dirac operator devised by Dimakis et al, whose Connes distance recovers the linear distance on an one-dimensional lattice, to the two-dimensional case. This Dirac operator has the local eigenvalue property and induces a Euclidean distance on this two-dimensional lattice, which is referred to as `natural'. This kind of Dirac operator can be easily generalized into any higher-dimensional lattices.

Simultaneously driven linear and nonlinear spatial encoding fields in MRI.

PubMed

Gallichan, Daniel; Cocosco, Chris A; Dewdney, Andrew; Schultz, Gerrit; Welz, Anna; Hennig, Jürgen; Zaitsev, Maxim

2011-03-01

Spatial encoding in MRI is conventionally achieved by the application of switchable linear encoding fields. The general concept of the recently introduced PatLoc (Parallel Imaging Technique using Localized Gradients) encoding is to use nonlinear fields to achieve spatial encoding. Relaxing the requirement that the encoding fields must be linear may lead to improved gradient performance or reduced peripheral nerve stimulation. In this work, a custom-built insert coil capable of generating two independent quadratic encoding fields was driven with high-performance amplifiers within a clinical MR system. In combination with the three linear encoding fields, the combined hardware is capable of independently manipulating five spatial encoding fields. With the linear z-gradient used for slice-selection, there remain four separate channels to encode a 2D-image. To compare trajectories of such multidimensional encoding, the concept of a local k-space is developed. Through simulations, reconstructions using six gradient-encoding strategies were compared, including Cartesian encoding separately or simultaneously on both PatLoc and linear gradients as well as two versions of a radial-based in/out trajectory. Corresponding experiments confirmed that such multidimensional encoding is practically achievable and demonstrated that the new radial-based trajectory offers the PatLoc property of variable spatial resolution while maintaining finite resolution across the entire field-of-view. Copyright © 2010 Wiley-Liss, Inc.

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

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

Dabhi, Shweta D.; Gupta, Sanjay D.; Jha, Prafulla K., E-mail: prafullaj@yahoo.com

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in themore » dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.« less

Theoretical study of phonon dispersion, elastic, mechanical and thermodynamic properties of barium chalcogenides

NASA Astrophysics Data System (ADS)

Musari, A. A.; Orukombo, S. A.

2018-03-01

Barium chalcogenides are known for their high-technological importance and great scientific interest. Detailed studies of their elastic, mechanical, dynamical and thermodynamic properties were carried out using density functional theory and plane-wave pseudo potential method within the generalized gradient approximation. The optimized lattice constants were in good agreement when compared with experimental data. The independent elastic constants, calculated from a linear fit of the computed stress-strain function, were used to determine the Young’s modulus (E), bulk modulus (B), shear modulus (G), Poisson’s ratio (σ) and Zener’s anisotropy factor (A). Also, the Debye temperature and sound velocities for barium chalcogenides were estimated from the three independent elastic constants. The calculations of phonon dispersion showed that there are no negative frequencies throughout the Brillouin zone. Hence barium chalcogenides have dynamically stable NaCl-type crystal structure. Finally, their thermodynamic properties were calculated in the temperature range of 0-1000 K and their constant-volume specific heat capacities at room-temperature were reported.

On certain families of rational functions arising in dynamics

NASA Technical Reports Server (NTRS)

Byrnes, C. I.

1979-01-01

It is noted that linear systems, depending on parameters, can occur in diverse situations including families of rational solutions to the Korteweg-de Vries equation or to the finite Toda lattice. The inverse scattering method used by Moser (1975) to obtain canonical coordinates for the finite homogeneous Toda lattice can be used for the synthesis of RC networks. It is concluded that the multivariable RC setting is ideal for the analysis of the periodic Toda lattice.

Construction of a Holliday Junction in Small Circular DNA Molecules for Stable Motifs and Two-Dimensional Lattices.

PubMed

Guo, Xin; Wang, Xue-Mei; Wei, Shuai; Xiao, Shou-Jun

2018-04-12

Design rules for DNA nanotechnology have been mostly learnt from using linear single-stranded (ss) DNA as the source material. For example, the core structure of a typical DAO (double crossover, antiparallel, odd half-turns) tile for assembling 2D lattices is constructed from only two linear ss-oligonucleotide scaffold strands, similar to two ropes making a square knot. Herein, a new type of coupled DAO (cDAO) tile and 2D lattices of small circular ss-oligonucleotides as scaffold strands and linear ss-oligonucleotides as staple strands are reported. A cDAO tile of cDAO-c64nt (c64nt: circular 64 nucleotides), shaped as a solid parallelogram, is constructed with a Holliday junction (HJ) at the center and two HJs at both poles of a c64nt; similarly, cDAO-c84nt, shaped as a crossed quadrilateral composed of two congruent triangles, is formed with a HJ at the center and four three-way junctions at the corners of a c84nt. Perfect 2D lattices were assembled from cDAO tiles: infinite nanostructures of nanoribbons, nanotubes, and nanorings, and finite nanostructures. The structural relationship between the visible lattices imaged by AFM and the corresponding invisible secondary and tertiary molecular structures of HJs, inclination angle of hydrogen bonds against the double-helix axis, and the chirality of the tile can be interpreted very well. This work could shed new light on DNA nanotechnology with unique circular tiles. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

PubMed

Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

2017-12-01

The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

High temperature XRD of Cu2GeSe3

NASA Astrophysics Data System (ADS)

Premkumar D., S.; Chetty, Raju; Malar, P.; Mallik, Ramesh Chandra

2015-06-01

The Cu2GeSe3 is prepared by solid state synthesis method. The high temperature XRD has been done at different temperature from 30 °C to 450 °C. The reitveld refinement confirms Cu2GeSe3 phase and orthorhombic crystal structure. The lattice constants are increasing with increase in the temperature and their rate of increase with respect to temperature are used for finding the thermal expansion coefficient. The calculation of the linear and volume coefficient of thermal expansion is done from 30 °C to 400 °C. Decrease in the values of linear expansion coefficients with temperature are observed along a and c axis. Since thermal expansion coefficient is the consequence of the distortion of atoms in the lattice; this can be further used to find the minimum lattice thermal conductivity at given temperature.

ILUBCG2-11: Solution of 11-banded nonsymmetric linear equation systems by a preconditioned biconjugate gradient routine

NASA Astrophysics Data System (ADS)

Chen, Y.-M.; Koniges, A. E.; Anderson, D. V.

1989-10-01

The biconjugate gradient method (BCG) provides an attractive alternative to the usual conjugate gradient algorithms for the solution of sparse systems of linear equations with nonsymmetric and indefinite matrix operators. A preconditioned algorithm is given, whose form resembles the incomplete L-U conjugate gradient scheme (ILUCG2) previously presented. Although the BCG scheme requires the storage of two additional vectors, it converges in a significantly lesser number of iterations (often half), while the number of calculations per iteration remains essentially the same.

Wetting boundary condition for the color-gradient lattice Boltzmann method: Validation with analytical and experimental data

NASA Astrophysics Data System (ADS)

Akai, Takashi; Bijeljic, Branko; Blunt, Martin J.

2018-06-01

In the color gradient lattice Boltzmann model (CG-LBM), a fictitious-density wetting boundary condition has been widely used because of its ease of implementation. However, as we show, this may lead to inaccurate results in some cases. In this paper, a new scheme for the wetting boundary condition is proposed which can handle complicated 3D geometries. The validity of our method for static problems is demonstrated by comparing the simulated results to analytical solutions in 2D and 3D geometries with curved boundaries. Then, capillary rise simulations are performed to study dynamic problems where the three-phase contact line moves. The results are compared to experimental results in the literature (Heshmati and Piri, 2014). If a constant contact angle is assumed, the simulations agree with the analytical solution based on the Lucas-Washburn equation. However, to match the experiments, we need to implement a dynamic contact angle that varies with the flow rate.

Disordered wires and quantum chaos in a momentum-space lattice

NASA Astrophysics Data System (ADS)

Meier, Eric; An, Fangzhao; Angonga, Jackson; Gadway, Bryce

2017-04-01

We present two topics: topological wires subjected to disorder and quantum chaos in a spin-J model. These studies are experimentally realized through the use of a momentum-space lattice, in which the dynamics of 87Rb atoms are recorded. In topological wires, a transition to a trivial phase is seen when disorder is applied to either the tunneling strengths or site energies. This transition is detected using both charge-pumping and Hamiltonian-quenching techniques. In the spin-J study we observe the effects of both linear and non-linear spin operations by measuring the linear entropy of the system as well as the out-of-time order correlation function. We further probe the chaotic signatures of the paradigmatic kicked top model.

ptchg: A FORTRAN program for point-charge calculations of electric field gradients (EFGs)

NASA Astrophysics Data System (ADS)

Spearing, Dane R.

1994-05-01

ptchg, a FORTRAN program, has been developed to calculate electric field gradients (EFG) around an atomic site in crystalline solids using the point-charge direct-lattice summation method. It uses output from the crystal structure generation program Atoms as its input. As an application of ptchg, a point-charge calculation of the EFG quadrupolar parameters around the oxygen site in SiO 2 cristobalite is demonstrated. Although point-charge calculations of electric field gradients generally are limited to ionic compounds, the computed quadrupolar parameters around the oxygen site in SiO 2 cristobalite, a highly covalent material, are in good agreement with the experimentally determined values from nuclear magnetic resonance (NMR) spectroscopy.

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Pravinraj, T.; Patrikar, Rajendra

2017-07-01

Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains the temporal behaviour of droplet during the spreading, recoiling and translation along with tracking of contact angle hysteresis phenomenon.

Slope and curvature of the hadronic vacuum polarization at vanishing virtuality from lattice QCD

NASA Astrophysics Data System (ADS)

Borsanyi, Sz.; Fodor, Z.; Kawanai, T.; Krieg, S.; Lellouch, L.; Malak, R.; Miura, K.; Szabo, K. K.; Torrero, C.; Toth, B. C.

2017-10-01

We compute the slope and curvature, at vanishing four-momentum transfer squared, of the leading order hadronic vacuum polarization function, using lattice quantum chromodynamics. Calculations are performed with 2 +1 +1 flavors of staggered fermions directly at the physical values of the quark masses and in volumes of linear extent larger than 6 fm. The continuum limit is carried out using six different lattice spacings. All connected and disconnected contributions are calculated, up to and including those of the charm.

Droplet flow along the wall of rectangular channel with gradient of wettability

NASA Astrophysics Data System (ADS)

Kupershtokh, A. L.

2018-03-01

The lattice Boltzmann equations (LBE) method (LBM) is applicable for simulating the multiphysics problems of fluid flows with free boundaries, taking into account the viscosity, surface tension, evaporation and wetting degree of a solid surface. Modeling of the nonstationary motion of a drop of liquid along a solid surface with a variable level of wettability is carried out. For the computer simulation of such a problem, the three-dimensional lattice Boltzmann equations method D3Q19 is used. The LBE method allows us to parallelize the calculations on multiprocessor graphics accelerators using the CUDA programming technology.

Nano-Engineering of Active Metamaterials

DTIC Science & Technology

2014-10-29

simulation of linear and nonlinear optical properties and dielectric permittivity including those of dipolar liquids, dendrimers , polymers, and...orders of magnitude with simple variation of chromophore structure. Note that chromophores in dendrimers are usually more stable than the same...chromophore in polymer composites consistent with reduced oxygen accessability in the dendrimer material lattice. Lattice hardening (crosslinking) and

Rapid analysis of charge variants of monoclonal antibodies using non-linear salt gradient in cation-exchange high performance liquid chromatography.

PubMed

Joshi, Varsha; Kumar, Vijesh; Rathore, Anurag S

2015-08-07

A method is proposed for rapid development of a short, analytical cation exchange high performance liquid chromatography method for analysis of charge heterogeneity in monoclonal antibody products. The parameters investigated and optimized include pH, shape of elution gradient and length of the column. It is found that the most important parameter for development of a shorter method is the choice of the shape of elution gradient. In this paper, we propose a step by step approach to develop a non-linear sigmoidal shape gradient for analysis of charge heterogeneity for two different monoclonal antibody products. The use of this gradient not only decreases the run time of the method to 4min against the conventional method that takes more than 40min but also the resolution is retained. Superiority of the phosphate gradient over sodium chloride gradient for elution of mAbs is also observed. The method has been successfully evaluated for specificity, sensitivity, linearity, limit of detection, and limit of quantification. Application of this method as a potential at-line process analytical technology tool has been suggested. Copyright © 2015 Elsevier B.V. All rights reserved.

Conserved linear dynamics of single-molecule Brownian motion.

PubMed

Serag, Maged F; Habuchi, Satoshi

2017-06-06

Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.

Conserved linear dynamics of single-molecule Brownian motion

PubMed Central

Serag, Maged F.; Habuchi, Satoshi

2017-01-01

Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance. PMID:28585925

Conserved linear dynamics of single-molecule Brownian motion

NASA Astrophysics Data System (ADS)

Serag, Maged F.; Habuchi, Satoshi

2017-06-01

Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.

Gradient gravitational search: An efficient metaheuristic algorithm for global optimization.

PubMed

Dash, Tirtharaj; Sahu, Prabhat K

2015-05-30

The adaptation of novel techniques developed in the field of computational chemistry to solve the concerned problems for large and flexible molecules is taking the center stage with regard to efficient algorithm, computational cost and accuracy. In this article, the gradient-based gravitational search (GGS) algorithm, using analytical gradients for a fast minimization to the next local minimum has been reported. Its efficiency as metaheuristic approach has also been compared with Gradient Tabu Search and others like: Gravitational Search, Cuckoo Search, and Back Tracking Search algorithms for global optimization. Moreover, the GGS approach has also been applied to computational chemistry problems for finding the minimal value potential energy of two-dimensional and three-dimensional off-lattice protein models. The simulation results reveal the relative stability and physical accuracy of protein models with efficient computational cost. © 2015 Wiley Periodicals, Inc.

Application of a chromatography model with linear gradient elution experimental data to the rapid scale-up in ion-exchange process chromatography of proteins.

PubMed

Ishihara, Takashi; Kadoya, Toshihiko; Yamamoto, Shuichi

2007-08-24

We applied the model described in our previous paper to the rapid scale-up in the ion exchange chromatography of proteins, in which linear flow velocity, column length and gradient slope were changed. We carried out linear gradient elution experiments, and obtained data for the peak salt concentration and peak width. From these data, the plate height (HETP) was calculated as a function of the mobile phase velocity and iso-resolution curve (the separation time and elution volume relationship for the same resolution) was calculated. The scale-up chromatography conditions were determined by the iso-resolution curve. The scale-up of the linear gradient elution from 5 to 100mL and 2.5L column sizes was performed both by the separation of beta-lactoglobulin A and beta-lactoglobulin B with anion-exchange chromatography and by the purification of a recombinant protein with cation-exchange chromatography. Resolution, recovery and purity were examined in order to verify the proposed method.

High temperature XRD of Cu{sub 2}GeSe{sub 3}

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

Premkumar, D. S.; Malar, P.; Chetty, Raju

2015-06-24

The Cu{sub 2}GeSe{sub 3} is prepared by solid state synthesis method. The high temperature XRD has been done at different temperature from 30 °C to 450 °C. The reitveld refinement confirms Cu{sub 2}GeSe{sub 3} phase and orthorhombic crystal structure. The lattice constants are increasing with increase in the temperature and their rate of increase with respect to temperature are used for finding the thermal expansion coefficient. The calculation of the linear and volume coefficient of thermal expansion is done from 30 °C to 400 °C. Decrease in the values of linear expansion coefficients with temperature are observed along a andmore » c axis. Since thermal expansion coefficient is the consequence of the distortion of atoms in the lattice; this can be further used to find the minimum lattice thermal conductivity at given temperature.« less

Theory of the Lattice Boltzmann Equation: Symmetry properties of Discrete Velocity Sets

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Luo, Li-Shi

2007-01-01

In the lattice Boltzmann equation, continuous particle velocity space is replaced by a finite dimensional discrete set. The number of linearly independent velocity moments in a lattice Boltzmann model cannot exceed the number of discrete velocities. Thus, finite dimensionality introduces linear dependencies among the moments that do not exist in the exact continuous theory. Given a discrete velocity set, it is important to know to exactly what order moments are free of these dependencies. Elementary group theory is applied to the solution of this problem. It is found that by decomposing the velocity set into subsets that transform among themselves under an appropriate symmetry group, it becomes relatively straightforward to assess the behavior of moments in the theory. The construction of some standard two- and three-dimensional models is reviewed from this viewpoint, and procedures for constructing some new higher dimensional models are suggested.

Bright breathers in nonlinear left-handed metamaterial lattices

NASA Astrophysics Data System (ADS)

Koukouloyannis, V.; Kevrekidis, P. G.; Veldes, G. P.; Frantzeskakis, D. J.; DiMarzio, D.; Lan, X.; Radisic, V.

2018-02-01

In the present work, we examine a prototypical model for the formation of bright breathers in nonlinear left-handed metamaterial lattices. Utilizing the paradigm of nonlinear transmission lines, we build a relevant lattice and develop a quasi-continuum multiscale approximation that enables us to appreciate both the underlying linear dispersion relation and the potential for bifurcation of nonlinear states. We focus here, more specifically, on bright discrete breathers which bifurcate from the lower edge of the linear dispersion relation at wavenumber k=π . Guided by the multiscale analysis, we calculate numerically both the stable inter-site centered and the unstable site-centered members of the relevant family. We quantify the associated stability via Floquet analysis and the Peierls-Nabarro barrier of the energy difference between these branches. Finally, we explore the dynamical implications of these findings towards the potential mobility or lack thereof (pinning) of such breather solutions.

Weyl solitons in three-dimensional optical lattices

NASA Astrophysics Data System (ADS)

Shang, Ce; Zheng, Yuanlin; Malomed, Boris A.

2018-04-01

Weyl fermions are massless chiral quasiparticles existing in materials known as Weyl semimetals. Topological surface states, associated with the unusual electronic structure in the Weyl semimetals, have been recently demonstrated in linear systems. Ultracold atomic gases, featuring laser-assisted tunneling in three-dimensional optical lattices, can be used for the emulation of Weyl semimetals, including nonlinear effects induced by the collisional nonlinearity of atomic Bose-Einstein condensates. We demonstrate that this setting gives rise to topological states in the form of Weyl solitons at the surface of the underlying optical lattice. These nonlinear modes, being exceptionally robust, bifurcate from linear states for a given quasimomentum. The Weyl solitons may be used to design an efficient control scheme for topologically protected unidirectional propagation of excitations in light-matter-interaction physics. After the recently introduced Majorana and Dirac solitons, the Weyl solitons proposed in this work constitute the third (and the last) member in this family of topological solitons.

Lattice Boltzmann simulation of antiplane shear loading of a stationary crack

NASA Astrophysics Data System (ADS)

Schlüter, Alexander; Kuhn, Charlotte; Müller, Ralf

2018-01-01

In this work, the lattice Boltzmann method is applied to study the dynamic behaviour of linear elastic solids under antiplane shear deformation. In this case, the governing set of partial differential equations reduces to a scalar wave equation for the out of plane displacement in a two dimensional domain. The lattice Boltzmann approach developed by Guangwu (J Comput Phys 161(1):61-69, 2000) in 2006 is used to solve the problem numerically. Some aspects of the scheme are highlighted, including the treatment of the boundary conditions. Subsequently, the performance of the lattice Boltzmann scheme is tested for a stationary crack problem for which an analytic solution exists. The treatment of cracks is new compared to the examples that are discussed in Guangwu's work. Furthermore, the lattice Boltzmann simulations are compared to finite element computations. Finally, the influence of the lattice Boltzmann relaxation parameter on the stability of the scheme is illustrated.

Still states of bistable lattices, compatibility, and phase transition

NASA Astrophysics Data System (ADS)

Cherkaev, Andrej; Kouznetsov, Andrei; Panchenko, Alexander

2010-09-01

We study a two-dimensional triangular lattice made of bistable rods. Each rod has two equilibrium lengths, and thus its energy has two equal minima. A rod undergoes a phase transition when its elongation exceeds a critical value. The lattice is subject to a homogeneous strain and is periodic with a sufficiently large period. The effective strain of a periodic element is defined. After phase transitions, the lattice rods are in two different states and lattice strain is inhomogeneous, the Cauchy-Born rule is not applicable. We show that the lattice has a number of deformed still states that carry no stresses. These states densely cover a neutral region in the space of entries of effective strains. In this region, the minimal energy of the periodic lattice is asymptotically close to zero. When the period goes to infinity, the effective energy of such lattices has the “flat bottom” which we explicitly describe. The compatibility of the partially transited lattice is studied. We derive compatibility conditions for lattices and demonstrate a family of compatible lattices (strips) that densely covers the flat bottom region. Under an additional assumption of the small difference of two equilibrium lengths, we demonstrate that the still structures continuously vary with the effective strain and prove a linear dependence of the average strain on the concentration of transited rods.

Impact of defects on percolation in random sequential adsorption of linear k-mers on square lattices.

PubMed

Tarasevich, Yuri Yu; Laptev, Valeri V; Vygornitskii, Nikolai V; Lebovka, Nikolai I

2015-01-01

The effect of defects on the percolation of linear k-mers (particles occupying k adjacent sites) on a square lattice is studied by means of Monte Carlo simulation. The k-mers are deposited using a random sequential adsorption mechanism. Two models L(d) and K(d) are analyzed. In the L(d) model it is assumed that the initial square lattice is nonideal and some fraction of sites d is occupied by nonconducting point defects (impurities). In the K(d) model the initial square lattice is perfect. However, it is assumed that some fraction of the sites in the k-mers d consists of defects, i.e., is nonconducting. The length of the k-mers k varies from 2 to 256. Periodic boundary conditions are applied to the square lattice. The dependences of the percolation threshold concentration of the conducting sites p(c) vs the concentration of defects d are analyzed for different values of k. Above some critical concentration of defects d(m), percolation is blocked in both models, even at the jamming concentration of k-mers. For long k-mers, the values of d(m) are well fitted by the functions d(m)∝k(m)(-α)-k(-α) (α=1.28±0.01 and k(m)=5900±500) and d(m)∝log(10)(k(m)/k) (k(m)=4700±1000) for the L(d) and K(d) models, respectively. Thus, our estimation indicates that the percolation of k-mers on a square lattice is impossible even for a lattice without any defects if k⪆6×10(3).

The effect of shear flow and the density gradient on the Weibel instability growth rate in the dense plasma

NASA Astrophysics Data System (ADS)

Amininasab, S.; Sadighi-Bonabi, R.; Khodadadi Azadboni, F.

2018-02-01

Shear stress effect has been often neglected in calculation of the Weibel instability growth rate in laser-plasma interactions. In the present work, the role of the shear stress in the Weibel instability growth rate in the dense plasma with density gradient is explored. By increasing the density gradient, the shear stress threshold is increasing and the range of the propagation angles of growing modes is limited. Therefore, by increasing steps of the density gradient plasma near the relativistic electron beam-emitting region, the Weibel instability occurs at a higher stress flow. Calculations show that the minimum value of the stress rate threshold for linear polarization is greater than that of circular polarization. The Wiebel instability growth rate for linear polarization is 18.3 times circular polarization. One sees that for increasing stress and density gradient effects, there are smaller maximal growth rates for the range of the propagation angles of growing modes /π 2 < θ m i n < π and /3 π 2 < θ m i n < 2 π in circular polarized plasma and for /k c ω p < 4 in linear polarized plasma. Therefore, the shear stress and density gradient tend to stabilize the Weibel instability for /k c ω p < 4 in linear polarized plasma. Also, the shear stress and density gradient tend to stabilize the Weibel instability for the range of the propagation angles of growing modes /π 2 < θ m i n < π and /3 π 2 < θ m i n < 2 π in circular polarized plasma.

Can a Linear Sigma Model Describe Walking Gauge Theories at Low Energies?

NASA Astrophysics Data System (ADS)

Gasbarro, Andrew

2018-03-01

In recent years, many investigations of confining Yang Mills gauge theories near the edge of the conformal window have been carried out using lattice techniques. These studies have revealed that the spectrum of hadrons in nearly conformal ("walking") gauge theories differs significantly from the QCD spectrum. In particular, a light singlet scalar appears in the spectrum which is nearly degenerate with the PNGBs at the lightest currently accessible quark masses. This state is a viable candidate for a composite Higgs boson. Presently, an acceptable effective field theory (EFT) description of the light states in walking theories has not been established. Such an EFT would be useful for performing chiral extrapolations of lattice data and for serving as a bridge between lattice calculations and phenomenology. It has been shown that the chiral Lagrangian fails to describe the IR dynamics of a theory near the edge of the conformal window. Here we assess a linear sigma model as an alternate EFT description by performing explicit chiral fits to lattice data. In a combined fit to the Goldstone (pion) mass and decay constant, a tree level linear sigma model has a Χ2/d.o.f. = 0.5 compared to Χ2/d.o.f. = 29.6 from fitting nextto-leading order chiral perturbation theory. When the 0++ (σ) mass is included in the fit, Χ2/d.o.f. = 4.9. We remark on future directions for providing better fits to the σ mass.

Dense Bicoid hubs accentuate binding along the morphogen gradient

PubMed Central

Mir, Mustafa; Reimer, Armando; Haines, Jenna E.; Li, Xiao-Yong; Stadler, Michael; Garcia, Hernan

2017-01-01

Morphogen gradients direct the spatial patterning of developing embryos; however, the mechanisms by which these gradients are interpreted remain elusive. Here we used lattice light-sheet microscopy to perform in vivo single-molecule imaging in early Drosophila melanogaster embryos of the transcription factor Bicoid that forms a gradient and initiates patterning along the anteroposterior axis. In contrast to canonical models, we observed that Bicoid binds to DNA with a rapid off rate throughout the embryo such that its average occupancy at target loci is on-rate-dependent. We further observed Bicoid forming transient “hubs” of locally high density that facilitate binding as factor levels drop, including in the posterior, where we observed Bicoid binding despite vanishingly low protein levels. We propose that localized modulation of transcription factor on rates via clustering provides a general mechanism to facilitate binding to low-affinity targets and that this may be a prevalent feature of other developmental transcription factors. PMID:28982761

The notion of a plastic material spin in atomistic simulations

NASA Astrophysics Data System (ADS)

Dickel, D.; Tenev, T. G.; Gullett, P.; Horstemeyer, M. F.

2016-12-01

A kinematic algorithm is proposed to extend existing constructions of strain tensors from atomistic data to decouple elastic and plastic contributions to the strain. Elastic and plastic deformation and ultimately the plastic spin, useful quantities in continuum mechanics and finite element simulations, are computed from the full, discrete deformation gradient and an algorithm for the local elastic deformation gradient. This elastic deformation gradient algorithm identifies a crystal type using bond angle analysis (Ackland and Jones 2006 Phys. Rev. B 73 054104) and further exploits the relationship between bond angles to determine the local deformation from an ideal crystal lattice. Full definitions of plastic deformation follow directly using a multiplicative decomposition of the deformation gradient. The results of molecular dynamics simulations of copper in simple shear and torsion are presented to demonstrate the ability of these new discrete measures to describe plastic material spin in atomistic simulation and to compare them with continuum theory.

Design of a One-Dimensional Sextupole Using Semi-Analytic Methods

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

Gupta, L.; Nagaitsev, S.; Baturin, S. S.

Sextupole magnets provide position-dependent momentum kicks and are tuned to provide the correct kicks to parti- cles within a small acceptance region in phase space. Sextupoles are useful and even necessary in circular accelerators for chromaticity corrections. They are routinely used in most rings, i.e. CESR. Although sextupole magnets are necessary for particle energy corrections, they also have undesirable effects on dynamic aperture, especially because of their non- linear coupling term in the momentum kick. Studies of integrable systems suggest that there is an analytic way to create transport lattices with specific transfer matrices that limit the momentum kick tomore » one dimension. A one-dimension sex- tupole is needed for chromaticity corrections: a horizontal sextupole for horizontal bending magnets. We know how to make a “composite” horizontal sextupole using regular 2D sextupoles and linear transfer matrices in an ideal thin-lens approximation. Thus, one could create an accelerator lattice using linear elements, in series with sextupole magnets to create a “1D sextupole”. This paper describes progress to- wards realizing a realistic focusing lattice resulting in a 1D sextupole.« less

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.

Observations of reduced electron Gyroscale fluctuations in national spherical torus experiment H-mode plasmas with large ExB flow shear.

PubMed

Smith, D R; Kaye, S M; Lee, W; Mazzucato, E; Park, H K; Bell, R E; Domier, C W; Leblanc, B P; Levinton, F M; Luhmann, N C; Menard, J E; Yuh, H

2009-06-05

Electron gyroscale fluctuation measurements in National Spherical Torus Experiment H-mode plasmas with large toroidal rotation reveal fluctuations consistent with electron temperature gradient (ETG) turbulence. Large toroidal rotation in National Spherical Torus Experiment plasmas with neutral beam injection generates ExB flow shear rates comparable to ETG linear growth rates. Enhanced fluctuations occur when the electron temperature gradient is marginally stable with respect to the ETG linear critical gradient. Fluctuation amplitudes decrease when the ExB flow shear rate exceeds ETG linear growth rates. The observations indicate that ExB flow shear can be an effective suppression mechanism for ETG turbulence.

Nested Conjugate Gradient Algorithm with Nested Preconditioning for Non-linear Image Restoration.

PubMed

Skariah, Deepak G; Arigovindan, Muthuvel

2017-06-19

We develop a novel optimization algorithm, which we call Nested Non-Linear Conjugate Gradient algorithm (NNCG), for image restoration based on quadratic data fitting and smooth non-quadratic regularization. The algorithm is constructed as a nesting of two conjugate gradient (CG) iterations. The outer iteration is constructed as a preconditioned non-linear CG algorithm; the preconditioning is performed by the inner CG iteration that is linear. The inner CG iteration, which performs preconditioning for outer CG iteration, itself is accelerated by an another FFT based non-iterative preconditioner. We prove that the method converges to a stationary point for both convex and non-convex regularization functionals. We demonstrate experimentally that proposed method outperforms the well-known majorization-minimization method used for convex regularization, and a non-convex inertial-proximal method for non-convex regularization functional.

Realization of preconditioned Lanczos and conjugate gradient algorithms on optical linear algebra processors.

PubMed

Ghosh, A

1988-08-01

Lanczos and conjugate gradient algorithms are important in computational linear algebra. In this paper, a parallel pipelined realization of these algorithms on a ring of optical linear algebra processors is described. The flow of data is designed to minimize the idle times of the optical multiprocessor and the redundancy of computations. The effects of optical round-off errors on the solutions obtained by the optical Lanczos and conjugate gradient algorithms are analyzed, and it is shown that optical preconditioning can improve the accuracy of these algorithms substantially. Algorithms for optical preconditioning and results of numerical experiments on solving linear systems of equations arising from partial differential equations are discussed. Since the Lanczos algorithm is used mostly with sparse matrices, a folded storage scheme to represent sparse matrices on spatial light modulators is also described.

Topology optimization of unsteady flow problems using the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Nørgaard, Sebastian; Sigmund, Ole; Lazarov, Boyan

2016-02-01

This article demonstrates and discusses topology optimization for unsteady incompressible fluid flows. The fluid flows are simulated using the lattice Boltzmann method, and a partial bounceback model is implemented to model the transition between fluid and solid phases in the optimization problems. The optimization problem is solved with a gradient based method, and the design sensitivities are computed by solving the discrete adjoint problem. For moderate Reynolds number flows, it is demonstrated that topology optimization can successfully account for unsteady effects such as vortex shedding and time-varying boundary conditions. Such effects are relevant in several engineering applications, i.e. fluid pumps and control valves.

Coherent and radiative couplings through two-dimensional structured environments

NASA Astrophysics Data System (ADS)

Galve, F.; Zambrini, R.

2018-03-01

We study coherent and radiative interactions induced among two or more quantum units by coupling them to two-dimensional (2D) lattices acting as structured environments. This model can be representative of atoms trapped near photonic crystal slabs, trapped ions in Coulomb crystals, or to surface acoustic waves on piezoelectric materials, cold atoms on state-dependent optical lattices, or even circuit QED architectures, to name a few. We compare coherent and radiative contributions for the isotropic and directional regimes of emission into the lattice, for infinite and finite lattices, highlighting their differences and existing pitfalls, e.g., related to long-time or large-lattice limits. We relate the phenomenon of directionality of emission with linear-shaped isofrequency manifolds in the dispersion relation, showing a simple way to disrupt it. For finite lattices, we study further details such as the scaling of resonant number of lattice modes for the isotropic and directional regimes, and relate this behavior with known van Hove singularities in the infinite lattice limit. Furthermore, we export the understanding of emission dynamics with the decay of entanglement for two quantum, atomic or bosonic, units coupled to the 2D lattice. We analyze in some detail completely subradiant configurations of more than two atoms, which can occur in the finite lattice scenario, in contrast with the infinite lattice case. Finally, we demonstrate that induced coherent interactions for dark states are zero for the finite lattice.

Valuation of financial models with non-linear state spaces

NASA Astrophysics Data System (ADS)

Webber, Nick

2001-02-01

A common assumption in valuation models for derivative securities is that the underlying state variables take values in a linear state space. We discuss numerical implementation issues in an interest rate model with a simple non-linear state space, formulating and comparing Monte Carlo, finite difference and lattice numerical solution methods. We conclude that, at least in low dimensional spaces, non-linear interest rate models may be viable.

Self-assembled DNA Structures for Nanoconstruction

NASA Astrophysics Data System (ADS)

Yan, Hao; Yin, Peng; Park, Sung Ha; Li, Hanying; Feng, Liping; Guan, Xiaoju; Liu, Dage; Reif, John H.; LaBean, Thomas H.

2004-09-01

In recent years, a number of research groups have begun developing nanofabrication methods based on DNA self-assembly. Here we review our recent experimental progress to utilize novel DNA nanostructures for self-assembly as well as for templates in the fabrication of functional nano-patterned materials. We have prototyped a new DNA nanostructure known as a cross structure. This nanostructure has a 4-fold symmetry which promotes its self-assembly into tetragonal 2D lattices. We have utilized the tetragonal 2D lattices as templates for highly conductive metallic nanowires and periodic 2D protein nano-arrays. We have constructed and characterized a DNA nanotube, a new self-assembling superstructure composed of DNA tiles. We have also demonstrated an aperiodic DNA lattice composed of DNA tiles assembled around a long scaffold strand; the system translates information encoded in the scaffold strand into a specific and reprogrammable barcode pattern. We have achieved metallic nanoparticle linear arrays templated on self-assembled 1D DNA arrays. We have designed and demonstrated a 2-state DNA lattice, which displays expand/contract motion switched by DNA nanoactuators. We have also achieved an autonomous DNA motor executing unidirectional motion along a linear DNA track.

Procedures and computer program for deriving the Ferguson plot from electrophoresis in a single pore gradient gel: application to agarose gel and a polystyrene particle.

PubMed

Tietz, D; Gombocz, E; Chrambach, A

1991-10-01

This study presents a computerized evaluation of pore gradient gel electrophoretograms to arrive at estimates for both the particle-free mobility and retardation coefficient, which is related to particle size. Agarose pore gradient gels ranging from 0.2 to 1.1% agarose were formed. Gel gradients were stabilized during their formation by a density gradient of 0-20% 5-(N-2,3-dihydroxypropylacetamido)- 2,4,6-triiodo-N,N'bis-(2,3-dihydroxypropyl)-isophthalamide (Nycodenz). Densitometry of gelled-in Bromophenol Blue showed that these pore gradients exhibited a linear central segment and were reproducible. Migration distances of polystyrene sulfate microspheres (36.5 nm radius) in agarose pore gradient gel electrophoresis were determined by time-lapse photography at several durations of electrophoresis. These migration distances were evaluated as a function of migration time as previously reported (D. Tietz, Adv. Electrophoresis 1988, 2, 109-169). Although this is not necessarily required, the mathematical approach used in this study assumed linearity of both the pore gradient and the Ferguson plot for reasons of simplicity. The data evaluation on the basis of the extended Ogston model is incorporated in a user-friendly program, GRADFIT, which is designed for personal computers (Macintosh). The results obtained are compared with (1) conventional electrophoresis using several gels of single concentration with and without Nycodenz, and (ii) a different mathematical approach for the analysis of gradient gels (Rodbard et al., Anal. Biochem. 1971, 40, 135-157). Moreover, a simple procedure for evaluating linear pore gradient gels using linear regression analysis is presented. It is concluded that the values of particle-free mobility and retardation coefficient derived from pore gradient gel electrophoresis using the different mathematical methods are statistically indistinguishable from each other. However, these values are different, albeit close, to those obtained from conventional Ferguson plots. One of the possible reasons for this relatively minor discrepancy is that the particle-free mobility changed slightly during electrophoresis, which has a different effect on electrophoresis in homogeneous gels (single time measurement) and pore gradient gels (multiple time measurements). The characterization of particles according to size and charge by pore gradient electrophoresis provides a significant operational simplification and sample economy compared to that requiring the use of several gel concentrations, although at the price of increased requirements of instrumentation.

When linear stability does not exclude nonlinear instability

DOE PAGES

Kevrekidis, P. G.; Pelinovsky, D. E.; Saxena, A.

2015-05-29

We describe a mechanism that results in the nonlinear instability of stationary states even in the case where the stationary states are linearly stable. In this study, this instability is due to the nonlinearity-induced coupling of the linearization’s internal modes of negative energy with the continuous spectrum. In a broad class of nonlinear Schrödinger equations considered, the presence of such internal modes guarantees the nonlinear instability of the stationary states in the evolution dynamics. To corroborate this idea, we explore three prototypical case examples: (a) an antisymmetric soliton in a double-well potential, (b) a twisted localized mode in a one-dimensionalmore » lattice with cubic nonlinearity, and (c) a discrete vortex in a two-dimensional saturable lattice. In all cases, we observe a weak nonlinear instability, despite the linear stability of the respective states.« less

Plasmon mass scale and quantum fluctuations of classical fields on a real time lattice

NASA Astrophysics Data System (ADS)

Kurkela, Aleksi; Lappi, Tuomas; Peuron, Jarkko

2018-03-01

Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Above the Debye scale the classical Yang-Mills (CYM) theory can be matched smoothly to kinetic theory. First we study the limits of the quasiparticle picture of the CYM fields by determining the plasmon mass of the system using 3 different methods. Then we argue that one needs a numerical calculation of a system of classical gauge fields and small linearized fluctuations, which correspond to quantum fluctuations, in a way that keeps the separation between the two manifest. We demonstrate and test an implementation of an algorithm with the linearized fluctuation showing that the linearization indeed works and that the Gauss's law is conserved.

Semiconductor apparatus utilizing gradient freeze and liquid-solid techniques

NASA Technical Reports Server (NTRS)

Fleurial, Jean-Pierre (Inventor); Caillat, Thierry F. (Inventor); Borshchevsky, Alexander (Inventor)

1998-01-01

Transition metals of Group VIII (Co, Rh and Ir) have been prepared as semiconductor compounds with the general formula TSb.sub.3. The skutterudite-type crystal lattice structure of these semiconductor compounds and their enhanced thermoelectric properties results in semiconductor materials which may be used in the fabrication of thermoelectric elements to substantially improve the efficiency of the resulting thermoelectric device. Semiconductor materials having the desired skutterudite-type crystal lattice structure may be prepared in accordance with the present invention by using vertical gradient freezing techniques and/or liquid phase sintering techniques. Measurements of electrical and thermal transport properties of selected semiconductor materials prepared in accordance with the present invention, demonstrated high Hall mobilities (up to 1200 cm.sup.2.V.sup.-1.s.sup.-1) and good Seebeck coefficients (up to 150 .mu.VK.sup.-1 between 300.degree. C. and 700.degree. C.). Optimizing the transport properties of semiconductor materials prepared from elemental mixtures Co, Rh, Ir and Sb resulted in a substantial increase in the thermoelectric figure of merit (ZT) at temperatures as high as 400.degree. C. for thermoelectric elements fabricated from such semiconductor materials.

Efficient gradient-based Monte Carlo simulation of materials: Applications to amorphous Si and Fe and Ni clusters

NASA Astrophysics Data System (ADS)

Limbu, Dil; Biswas, Parthapratim

We present a simple and efficient Monte-Carlo (MC) simulation of Iron (Fe) and Nickel (Ni) clusters with N =5-100 and amorphous Silicon (a-Si) starting from a random configuration. Using Sutton-Chen and Finnis-Sinclair potentials for Ni (in fcc lattice) and Fe (in bcc lattice), and Stillinger-Weber potential for a-Si, respectively, the total energy of the system is optimized by employing MC moves that include both the stochastic nature of MC simulations and the gradient of the potential function. For both iron and nickel clusters, the energy of the configurations is found to be very close to the values listed in the Cambridge Cluster Database, whereas the maximum force on each cluster is found to be much lower than the corresponding value obtained from the optimized structural configurations reported in the database. An extension of the method to model the amorphous state of Si is presented and the results are compared with experimental data and those obtained from other simulation methods. The work is partially supported by the NSF under Grant Number DMR 1507166.

Evaluation of asymmetric quadrupoles for a non-scaling fixed field alternating gradient accelerator

NASA Astrophysics Data System (ADS)

Lee, Sang-Hun; Park, Sae-Hoon; Kim, Yu-Seok

2017-12-01

A non-scaling fixed field alternating gradient (NS-FFAG) accelerator was constructed, which employs conventional quadrupoles. The possible demerit is the beam instability caused by the variable focusing strength when the orbit radius of the beam changes. To overcome this instability, it was suggested that the asymmetric quadrupole has different current flows in each coil. The magnetic field of the asymmetric quadrupole was found to be more similar to the magnetic field required for the FFAG accelerator than the constructed NS-FFAG accelerator. In this study, a simulation of the beam dynamics was carried out to evaluate the improvement to the beam stability for the NS-FFAG accelerator using the SIMION program. The beam dynamics simulation was conducted with the `hard edge' model; it ignored the fringe field at the end of the magnet. The magnetic field map of the suggested magnet was created using the SIMION program. The lattices for the simulation combined the suggested magnets. The magnets were evaluated for beam stability in the lattices through the SIMION program.

Fluid-Structure Model of Lymphatic Valve and Vessel

NASA Astrophysics Data System (ADS)

Wolf, Ki; Ballard, Matthew; Nepiyushchikh, Zhanna; Razavi, Mohammad; Dixon, Brandon; Alexeev, Alexander

The lymphatic system is a part of the circulatory system that performs a range of important functions such as transportation of interstitial fluid, fatty acid, and immune cells. The lymphatic vessels are composed of contractile walls to pump lymph against adverse pressure gradient and lymphatic valves that prevent back flow. Despite the importance of lymphatic system, the contribution of mechanical and geometric changes of lymphatic valves and vessels in pathologies of lymphatic dysfunction, such as lymphedema, is not well understood. We developed a coupled fluid-solid computational model to simultaneously simulate a lymphatic vessel, valve, and flow. A lattice Boltzmann model is used to represent the fluid component, while lattice spring model is used for the solid component of the lymphatic vessel, whose mechanical properties are derived experimentally. Behaviors such as lymph flow pattern and lymphatic valve performance against backflow and adverse pressure gradient under varied parameters of lymphatic valve and vessel geometry and mechanical properties are investigated to provide a better insight into the dynamics of lymphatic vessels, valves, and system and give insight into how they might fail in disease. NSF CMMI-1635133.

Flat-Lens Focusing of Electron Beams in Graphene

PubMed Central

Tang, Yang; Cao, Xiyuan; Guo, Ran; Zhang, Yanyan; Che, Zhiyuan; Yannick, Fouodji T.; Zhang, Weiping; Du, Junjie

2016-01-01

Coupling electron beams carrying information into electronic units is fundamental in microelectronics. This requires precision manipulation of electron beams through a coupler with a good focusing ability. In graphene, the focusing of wide electron beams has been successfully demonstrated by a circular p-n junction. However, it is not favorable for information coupling since the focal length is so small that the focal spot locates inside the circular gated region, rather than in the background region. Here, we demonstrate that an array of gate-defined quantum dots, which has gradually changing lattice spacing in the direction transverse to propagation, can focus electrons outside itself, providing a possibility to make a coupler in graphene. The focusing effect can be understood as due to the gradient change of effective refractive indices, which are defined by the local energy band in a periodic potential. The strong focusing can be achieved by suitably choosing the lattice gradient and the layer number in the incident direction, offering an effective solution to precision manipulation of electron beams with wide electron energy range and high angular tolerance. PMID:27628099

Luminosity Limitations of Linear Colliders Based on Plasma Acceleration

DOE PAGES

Lebedev, Valeri; Burov, Alexey; Nagaitsev, Sergei

2016-01-01

Particle acceleration in plasma creates a possibility of exceptionally high accelerating gradients and appears as a very attractive option for future linear electron-positron and/or photon-photon colliders. These high accelerating gradients were already demonstrated in a number of experiments. Furthermore, a linear collider requires exceptionally high beam brightness which still needs to be demonstrated. In this article we discuss major phenomena which limit the beam brightness of accelerated beam and, consequently, the collider luminosity.

Smeared quasidistributions in perturbation theory

NASA Astrophysics Data System (ADS)

Monahan, Christopher

2018-03-01

Quasi- and pseudodistributions provide a new approach to determining parton distribution functions from first principles' calculations of QCD. Here, I calculate the flavor nonsinglet unpolarized quasidistribution at one loop in perturbation theory, using the gradient flow to remove ultraviolet divergences. I demonstrate that, as expected, the gradient flow does not change the infrared structure of the quasidistribution at one loop and use the results to match the smeared matrix elements to those in the MS ¯ scheme. This matching calculation is required to relate numerical results obtained from nonperturbative lattice QCD computations to light-front parton distribution functions extracted from global analyses of experimental data.

User's manual for interfacing a leading edge, vortex rollup program with two linear panel methods

NASA Technical Reports Server (NTRS)

Desilva, B. M. E.; Medan, R. T.

1979-01-01

Sufficient instructions are provided for interfacing the Mangler-Smith, leading edge vortex rollup program with a vortex lattice (POTFAN) method and an advanced higher order, singularity linear analysis for computing the vortex effects for simple canard wing combinations.

Adaptive matching of the iota ring linear optics for space charge compensation

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

Romanov, A.; Bruhwiler, D. L.; Cook, N.

Many present and future accelerators must operate with high intensity beams when distortions induced by space charge forces are among major limiting factors. Betatron tune depression of above approximately 0.1 per cell leads to significant distortions of linear optics. Many aspects of machine operation depend on proper relations between lattice functions and phase advances, and can be i proved with proper treatment of space charge effects. We implement an adaptive algorithm for linear lattice re matching with full account of space charge in the linear approximation for the case of Fermilab’s IOTA ring. The method is based on a searchmore » for initial second moments that give closed solution and, at the same predefined set of goals for emittances, beta functions, dispersions and phase advances at and between points of interest. Iterative singular value decomposition based technique is used to search for optimum by varying wide array of model parameters« less

Static beam-based alignment for the Ring-To-Main-Linac of the Compact Linear Collider

NASA Astrophysics Data System (ADS)

Han, Y.; Latina, A.; Ma, L.; Schulte, D.

2017-06-01

The Compact Linear Collider (CLIC) is a future multi-TeV collider for the post-Large Hadron Collider era. It features high-gradient acceleration and ultra-low emittance to achieve its ambitious goals of high collision energy and peak luminosity. Beam-based alignment (BBA) techniques are mandatory for CLIC to preserve the ultra-low emittances from the damping rings to the interaction point. In this paper, a detailed study of BBA techniques has been carried out for the entire 27 km long ``Ring-To-Main-Linac'' (RTML) section of the CLIC, to correct realistic static errors such as element position offsets, angle, magnetic strength and dynamic magnetic centre shifts. The correction strategy is proved to be very effective and leads to a relaxation of the pre-alignment tolerances for the component installation in the tunnel. This is the first time such a large scale and complex lattice has been corrected to match the design budgets. The techniques proposed could be applied to similarly sized facilities, such as the International Linear Collider, where a similar RTML section is used, or free-electron lasers, which, being equipped with linacs and bunch compressors, present challenges similar to those of the CLIC RTML. Moreover, a new technique is investigated for the emittance tuning procedure: the direct measurement of the interactions between the beams and a set of a few consecutive laser wires. The speed of this technique can be faster comparing to the traditional techniques based on emittance reconstructed from beam size measurements at several positions.

Protein gradients in single cells induced by their coupling to "morphogen"-like diffusion

NASA Astrophysics Data System (ADS)

Nandi, Saroj Kumar; Safran, Sam A.

2018-05-01

One of the many ways cells transmit information within their volume is through steady spatial gradients of different proteins. However, the mechanism through which proteins without any sources or sinks form such single-cell gradients is not yet fully understood. One of the models for such gradient formation, based on differential diffusion, is limited to proteins with large ratios of their diffusion constants or to specific protein-large molecule interactions. We introduce a novel mechanism for gradient formation via the coupling of the proteins within a single cell with a molecule, that we call a "pronogen," whose action is similar to that of morphogens in multi-cell assemblies; the pronogen is produced with a fixed flux at one side of the cell. This coupling results in an effectively non-linear diffusion degradation model for the pronogen dynamics within the cell, which leads to a steady-state gradient of the protein concentration. We use stability analysis to show that these gradients are linearly stable with respect to perturbations.

Evaluation of thermometric monitoring for intradiscal laser ablation in an open 1.0 T MR scanner.

PubMed

Wonneberger, Uta; Schnackenburg, Bernhard; Wlodarczyk, Waldemar; Rump, Jens; Walter, Thula; Streitparth, Florian; Teichgräber, Ulf Karl Mart

2010-01-01

The purpose of this study was to evaluate different methods of magnetic resonance thermometry (MRTh) for the monitoring of intradiscal laser ablation therapy in an open 1.0 Tesla magnetic resonance (MR) scanner. MRTh methods based on the two endogenous MR temperature indicators of spin-lattice relaxation time T1 and water proton resonance frequency (PRF) shift were optimised and compared in vitro. For the latter, we measured the effective spin-spin relaxation times T2* in intervertebral discs of volunteers. Then we compared four gradient echo-based imaging techniques to monitor laser ablations in human disc specimens. Criteria of assessment were outline of anatomic detail, immunity against needle artefacts, signal-to-noise ratio (SNR) and accuracy of the calculated temperature. T2* decreased in an inverse and almost linear manner with the patients' age (r = 0.9) from 70 to 30 ms (mean of 49 ms). The optimum image quality (anatomic details, needle artefacts, SNR) and temperature accuracy (+/-1.09 degrees C for T1-based and +/-1.11 degrees C for PRF-based MRTh) was achieved with a non-spoiled gradient-echo sequence with an echo time of TE = 10 ms. Combination of anatomic and thermometric non-invasive monitoring of laser ablations in the lumbar spine is feasible. The temperature accuracy of the investigated T1- and PRF-based MRTh methods in vitro is high enough and promises to be reliable in vivo as well.

Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties

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

Xu, Wen-Sheng, E-mail: wsxu@uchicago.edu; Freed, Karl F., E-mail: freed@uchicago.edu; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637

2015-07-14

The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in Paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear telechelic polymer melts. Our calculations imply that chain stiffness promotes self-assembly of linear telechelic polymer melts that assemble on cooling when either polymer volume fraction ϕ or temperature T is high, but opposes self-assembly when both ϕ and T are sufficiently low. This allows us to identify a boundary line in the ϕ-T plane that separates two regions of qualitatively different influence of chainmore » stiffness on self-assembly. The enthalpy and entropy of self-assembly are usually treated as adjustable parameters in classical Flory-Huggins type theories for the equilibrium self-assembly of polymers, but they are demonstrated here to strongly depend on chain stiffness. Moreover, illustrative calculations for the dependence of the entropy density of linear telechelic polymer melts on chain stiffness demonstrate the importance of including semiflexibility within the LCT when exploring the nature of glass formation in models of linear telechelic polymer melts.« less

First principles study on structural, electronic and optical properties of Ga1-xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

NASA Astrophysics Data System (ADS)

Hoat, D. M.; Rivas Silva, J. F.; Méndez Blas, A.

2018-07-01

The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga1-xBxP (x = 0.25, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE), Wu-Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran-Blaha modified Becke-Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect-direct band gap transition can be reached from x = 0.33. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.

Phase transitions in coupled map lattices and in associated probabilistic cellular automata.

PubMed

Just, Wolfram

2006-10-01

Analytical tools are applied to investigate piecewise linear coupled map lattices in terms of probabilistic cellular automata. The so-called disorder condition of probabilistic cellular automata is closely related with attracting sets in coupled map lattices. The importance of this condition for the suppression of phase transitions is illustrated by spatially one-dimensional systems. Invariant densities and temporal correlations are calculated explicitly. Ising type phase transitions are found for one-dimensional coupled map lattices acting on repelling sets and for a spatially two-dimensional Miller-Huse-like system with stable long time dynamics. Critical exponents are calculated within a finite size scaling approach. The relevance of detailed balance of the resulting probabilistic cellular automaton for the critical behavior is pointed out.

High-performance multiprocessor architecture for a 3-D lattice gas model

NASA Technical Reports Server (NTRS)

Lee, F.; Flynn, M.; Morf, M.

1991-01-01

The lattice gas method has recently emerged as a promising discrete particle simulation method in areas such as fluid dynamics. We present a very high-performance scalable multiprocessor architecture, called ALGE, proposed for the simulation of a realistic 3-D lattice gas model, Henon's 24-bit FCHC isometric model. Each of these VLSI processors is as powerful as a CRAY-2 for this application. ALGE is scalable in the sense that it achieves linear speedup for both fixed and increasing problem sizes with more processors. The core computation of a lattice gas model consists of many repetitions of two alternating phases: particle collision and propagation. Functional decomposition by symmetry group and virtual move are the respective keys to efficient implementation of collision and propagation.

q Breathers in Finite Lattices: Nonlinearity and Weak Disorder

NASA Astrophysics Data System (ADS)

Ivanchenko, M. V.

2009-05-01

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

Lattice 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.

Suppressing Electron Turbulence and Triggering Internal Transport Barriers with Reversed Magnetic Shear in the National Spherical Torus Experiment

NASA Astrophysics Data System (ADS)

Peterson, Jayson Luc

2011-10-01

Observations in the National Spherical Torus Experiment (NSTX) have found electron temperature gradients that greatly exceed the linear threshold for the onset for electron temperature gradient-driven (ETG) turbulence. These discharges, deemed electron internal transport barriers (e-ITBs), coincide with a reversal in the shear of the magnetic field and with a reduction in electron-scale density fluctuations, qualitatively consistent with earlier gyrokinetic predictions. To investigate this phenomenon further, we numerically model electron turbulence in NSTX reversed-shear plasmas using the gyrokinetic turbulence code GYRO. These first-of-a-kind nonlinear gyrokinetic simulations of NSTX e-ITBs confirm that reversing the magnetic shear can allow the plasma to reach electron temperature gradients well beyond the critical gradient for the linear onset of instability. This effect is very strong, with the nonlinear threshold for significant transport approaching three times the linear critical gradient in some cases, in contrast with moderate shear cases, which can drive significant ETG turbulence at much lower gradients. In addition to the experimental implications of this upshifted nonlinear critical gradient, we explore the behavior of ETG turbulence during reversed shear discharges. This work is supported by the SciDAC Center for the Study of Plasma Microturbulence, DOE Contract DE-AC02-09CH11466, and used the resources of NCCS at ORNL and NERSC at LBNL. M. Ono et al., Nucl. Fusion 40, 557 (2000).

Spatiotemporal chaos in mixed linear-nonlinear two-dimensional coupled logistic map lattice

NASA Astrophysics Data System (ADS)

Zhang, Ying-Qian; He, Yi; Wang, Xing-Yuan

2018-01-01

We investigate a new spatiotemporal dynamics with mixing degrees of nonlinear chaotic maps for spatial coupling connections based on 2DCML. Here, the coupling methods are including with linear neighborhood coupling and the nonlinear chaotic map coupling of lattices, and the former 2DCML system is only a special case in the proposed system. In this paper the criteria such Kolmogorov-Sinai entropy density and universality, bifurcation diagrams, space-amplitude and snapshot pattern diagrams are provided in order to investigate the chaotic behaviors of the proposed system. Furthermore, we also investigate the parameter ranges of the proposed system which holds those features in comparisons with those of the 2DCML system and the MLNCML system. Theoretical analysis and computer simulation indicate that the proposed system contains features such as the higher percentage of lattices in chaotic behaviors for most of parameters, less periodic windows in bifurcation diagrams and the larger range of parameters for chaotic behaviors, which is more suitable for cryptography.

Computer program documentation for a subcritical wing design code using higher order far-field drag minimization

NASA Technical Reports Server (NTRS)

Kuhlman, J. M.; Shu, J. Y.

1981-01-01

A subsonic, linearized aerodynamic theory, wing design program for one or two planforms was developed which uses a vortex lattice near field model and a higher order panel method in the far field. The theoretical development of the wake model and its implementation in the vortex lattice design code are summarized and sample results are given. Detailed program usage instructions, sample input and output data, and a program listing are presented in the Appendixes. The far field wake model assumes a wake vortex sheet whose strength varies piecewise linearly in the spanwise direction. From this model analytical expressions for lift coefficient, induced drag coefficient, pitching moment coefficient, and bending moment coefficient were developed. From these relationships a direct optimization scheme is used to determine the optimum wake vorticity distribution for minimum induced drag, subject to constraints on lift, and pitching or bending moment. Integration spanwise yields the bound circulation, which is interpolated in the near field vortex lattice to obtain the design camber surface(s).

Variational methods in supersymmetric lattice field theory: The vacuum sector

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

Duncan, A.; Meyer-Ortmanns, H.; Roskies, R.

1987-12-15

The application of variational methods to the computation of the spectrum in supersymmetric lattice theories is considered, with special attention to O(N) supersymmetric sigma models. Substantial cancellations are found between bosonic and fermionic contributions even in approximate Ansa$uml: tze for the vacuum wave function. The nonlinear limit of the linear sigma model is studied in detail, and it is shown how to construct an appropriate non-Gaussian vacuum wave function for the nonlinear model. The vacuum energy is shown to be of order unity in lattice units in the latter case, after infinite cancellations.

Evolution of the orbitals Dy-4f in the DyB2 compound using the LDA, PBE approximations, and the PBE0 hybrid functional

NASA Astrophysics Data System (ADS)

Rasero Causil, Diego; Ortega López, César; Espitia Rico, Miguel

2018-04-01

Computational calculations of total energy based on density functional theory were used to investigate the structural, electronic, and magnetic properties of the DyB2 compounds in the hexagonal structure. The calculations were carried out by means of the full-potential linearized augmented plane wave (FP-LAPW) method, employing the computational Wien2k package. The local density approximation (LDA) and the generalized gradient approximation (GGA) were used for the electron-electron interactions. Additionally, we used the functional hybrid PBE0 for a better description the electronic and magnetic properties, because the DyB2 compound is a strongly-correlated system. We found that the calculated lattice constant agrees well with the values reported theoretically and experimentally. The density of states (DOS) calculation shows that the compound exhibits a metallic behavior and has magnetic properties, with a total magnetic moment of 5.47 μ0/cell determined mainly by the 4f states of the rare earth elements. The functional PBE0 shows a strong localization of the Dy-4f orbitals.

First-principles calculations of finite temperature Sc and O NMR parameters in Pb(Sc2/3W1/3)O3

NASA Astrophysics Data System (ADS)

Krakauer, Henry; Walter, Eric J.; Ellden, Jeremy; Hoatson, Gina L.; Vold, Robert L.

2012-02-01

Understanding the dynamics of complex relaxor ferroelectrics is important to characterizing their large electromechanical coupling. Preliminary NMR measurements of Sc electric-field-gradients (EFG) in Pb(Sc2/3W1/3)O3 (PSW) show a strong temperature dependence in the range T = 250 - 330 K. To understand this behavior, we use the first-principles GIPAWootnotetextC. J. Pickard and F. Mauri, Phys. Rev. B 63, 245101 (2001); method within the Quantum Espresso (QE) packageootnotetextP. Giannozzi et al., Journal of Physics: Condensed Matter 21, 395502 (2009) to calculate ^45Sc and ^17O chemical-shifts and EFG tensors. To study finite temperature effects, we incorporate the thermal expansion of the lattice and sample thermal disorder, using the phonon degrees of freedom. As in our previous studies of perovksites,ootnotetextD. L. Pechkis, E. J. Walter, and H. Krakauer. J. Chem. Phys. 135, 114507 (2011); ibid. 131, 184511 (2009) we show that the ^17O chemical shifts in PSW also exhibit a linear correlation with the nearest-neighbor B-O bond length.

Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

NASA Astrophysics Data System (ADS)

Smirnov, N. A.

2018-03-01

The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

NASA Astrophysics Data System (ADS)

Mubarak, A. A.; Al-Omari, Saleh

2015-05-01

We present first-principles calculations of the structural, elastic, electronic, magnetic and optical properties for RbFeF3 and RbNiF3. The full-potential linear augmented plan wave (FP-LAPW) method within the density functional theory was utilized to perform the present calculations. We employed the generalized gradient approximation as exchange-correlation potential. It was found that the calculated analytical lattice parameters agree with previous studies. The analysis of elastic constants showed that the present compounds are elastically stable and anisotropic. Moreover, both compounds are classified as a ductile compound. The calculations of the band structure and density functional theory revealed that the RbFeF3 compound has a half-metallic behavior while the RbNiF3 compound has a semiconductor behavior with indirect (M-Γ) band gap. The ferromagnetic behavior was studied for both compounds. The optical properties were calculated for the radiation of up to 40 eV. A beneficial optics technology is predicted as revealed from the optical spectra.

Present constraints on the H-dibaryon at the physical point from Lattice QCD

DOE PAGES

Beane, S. R.; Chang, E.; Detmold, W.; ...

2011-11-10

The current constraints from Lattice QCD on the existence of the H-dibaryon are discussed. With only two significant Lattice QCD calculations of the H-dibaryon binding energy at approximately the same lattice spacing, the form of the chiral and continuum extrapolations to the physical point are not determined. In this brief report, an extrapolation that is quadratic in the pion mass, motivated by low-energy effective field theory, is considered. An extrapolation that is linear in the pion mass is also considered, a form that has no basis in the effective field theory, but is found to describe the light-quark mass dependencemore » observed in Lattice QCD calculations of the octet baryon masses. In both cases, the extrapolation to the physical pion mass allows for a bound H-dibaryon or a near-threshold scattering state.« less

Exact finite volume expectation values of \\overline{Ψ}Ψ in the massive Thirring model from light-cone lattice correlators

NASA Astrophysics Data System (ADS)

Hegedűs, Árpád

2018-03-01

In this paper, using the light-cone lattice regularization, we compute the finite volume expectation values of the composite operator \\overline{Ψ}Ψ between pure fermion states in the Massive Thirring Model. In the light-cone regularized picture, this expectation value is related to 2-point functions of lattice spin operators being located at neighboring sites of the lattice. The operator \\overline{Ψ}Ψ is proportional to the trace of the stress-energy tensor. This is why the continuum finite volume expectation values can be computed also from the set of non-linear integral equations (NLIE) governing the finite volume spectrum of the theory. Our results for the expectation values coming from the computation of lattice correlators agree with those of the NLIE computations. Previous conjectures for the LeClair-Mussardo-type series representation of the expectation values are also checked.

Electron capture and transport mediated by lattice solitons

NASA Astrophysics Data System (ADS)

Hennig, D.; Chetverikov, A.; Velarde, M. G.; Ebeling, W.

2007-10-01

We study electron transport in a one-dimensional molecular lattice chain. The molecules are linked by Morse interaction potentials. The electronic degree of freedom, expressed in terms of a tight binding system, is coupled to the longitudinal displacements of the molecules from their equilibrium positions along the axis of the lattice. More specifically, the distance between two sites influences in an exponential fashion the corresponding electronic transfer matrix element. We demonstrate that when an electron is injected in the undistorted lattice it causes a local deformation such that a compression results leading to a lowering of the electron’s energy below the lower edge of the band of linear states. This corresponds to self-localization of the electron due to a polaronlike effect. Then, if a traveling soliton lattice deformation is launched a distance apart from the electron’s position, upon encountering the polaronlike state it captures the latter dragging it afterwards along its path. Strikingly, even when the electron is initially uniformly distributed over the lattice sites a traveling soliton lattice deformation gathers the electronic amplitudes during its traversing of the lattice. Eventually, the electron state is strongly localized and moves coherently in unison with the soliton lattice deformation. This shows that for the achievement of coherent electron transport we need not start with the polaronic effect.

Non-linear interactions between CO_2 radiative and physiological effects on Amazonian evapotranspiration in an Earth system model

NASA Astrophysics Data System (ADS)

Halladay, Kate; Good, Peter

2017-10-01

We present a detailed analysis of mechanisms underlying the evapotranspiration response to increased CO_2 in HadGEM2-ES, focussed on western Amazonia. We use three simulations from CMIP5 in which atmospheric CO_2 increases at 1% per year reaching approximately four times pre-industrial levels after 140 years. Using 3-hourly data, we found that evapotranspiration (ET) change was dominated by decreased stomatal conductance (g_s), and to a lesser extent by decreased canopy water and increased moisture gradient (specific humidity difference between surface and near-surface). There were large, non-linear decreases in ET in the simulation in which radiative and physiological forcings could interact. This non-linearity arises from non-linearity in the conductance term (includes aerodynamic and stomatal resistance and partitioning between the two, which is determined by canopy water availability), the moisture gradient, and negative correlation between these two terms. The conductance term is non-linear because GPP responds non-linearly to temperature and GPP is the dominant control on g_s in HadGEM2-ES. In addition, canopy water declines, mainly due to increases in potential evaporation, which further decrease the conductance term. The moisture gradient responds non-linearly owing to the non-linear response of temperature to CO_2 increases, which increases the Bowen ratio. Moisture gradient increases resulting from ET decline increase ET and thus constitute a negative feedback. This analysis highlights the importance of the g_s parametrisation in determining the ET response and the potential differences between offline and online simulations owing to feedbacks on ET via the atmosphere, some of which would not occur in an offline simulation.

Performance analysis of structured gradient algorithm. [for adaptive beamforming linear arrays

NASA Technical Reports Server (NTRS)

Godara, Lal C.

1990-01-01

The structured gradient algorithm uses a structured estimate of the array correlation matrix (ACM) to estimate the gradient required for the constrained least-mean-square (LMS) algorithm. This structure reflects the structure of the exact array correlation matrix for an equispaced linear array and is obtained by spatial averaging of the elements of the noisy correlation matrix. In its standard form the LMS algorithm does not exploit the structure of the array correlation matrix. The gradient is estimated by multiplying the array output with the receiver outputs. An analysis of the two algorithms is presented to show that the covariance of the gradient estimated by the structured method is less sensitive to the look direction signal than that estimated by the standard method. The effect of the number of elements on the signal sensitivity of the two algorithms is studied.

Dual Fine Tracking Control of a Satellite Laser Communication Uplink

DTIC Science & Technology

2006-09-14

rejec- tion results for LQG control compared with adaptive least mean squares (LMS) and gradient adaptive lattice (GAL) algorithms , however, both...period [7, page 256]. The steady-state Kalman filter, defined by the predictor / corrector form, is implemented for each beam respectively as [7, page...Disturbance Environment . . . . . . . . . . . . . . . . . 97 B.4 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . 98 Appendix C . Aircraft

Principal processes within the estuarine salinity gradient: a review.

PubMed

Telesh, Irena V; Khlebovich, Vladislav V

2010-01-01

The salinity gradient is one of the main features characteristic of any estuarine ecosystem. Within this gradient in a critical salinity range of 5-8 PSU the major biotic and abiotic processes demonstrate non-linear dynamics of change in rates and directions. In estuaries, this salinity range acts as both external ecological factor and physiological characteristics of internal environment of aquatic organisms; it divides living conditions appropriate for freshwater and marine faunas, separates invertebrate communities with different osmotic regulation types, and defines the distribution range of high taxa. In this paper, the non-linearity of biotic processes within the estuarine salinity gradient is illustrated by the data on zooplankton from the Baltic estuaries. The non-tidal Baltic Sea provides a good demonstration of the above phenomena due to gradual changes of environmental factors and relatively stable isohalines. The non-linearity concept coupled with the ecosystem approach served the basis for a new definition of an estuary proposed by the authors. Copyright 2010 Elsevier Ltd. All rights reserved.

Terahertz-driven linear electron acceleration

PubMed Central

Nanni, Emilio A.; Huang, Wenqian R.; Hong, Kyung-Han; Ravi, Koustuban; Fallahi, Arya; Moriena, Gustavo; Dwayne Miller, R. J.; Kärtner, Franz X.

2015-01-01

The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeV m−1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/proton accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. These ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams. PMID:26439410

Terahertz-driven linear electron acceleration

DOE PAGES

Nanni, Emilio A.; Huang, Wenqian R.; Hong, Kyung-Han; ...

2015-10-06

The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeVm -1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/protonmore » accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. As a result, these ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams.« less

Flux lattice imaging of a patterned niobium thin film

NASA Astrophysics Data System (ADS)

Roseman, M.; Grütter, P.; Badía, A.; Metlushko, V.

2001-06-01

Using our cryogenic magnetic force microscope, we have investigated a superconducting Nb thin film, 100 nm in thickness with Tc˜6.5 K. The film is patterned with a square array (1 μm×1 μm) of antidots, which serve as artificial pinning centers for magnetic flux. We have observed flux lattice matching as a function of applied magnetic field and temperature, for field strengths up to the third matching field, with evidence of flux dragging by the tip around the antidots. Force gradient distance curves acquired at temperatures about Tc clearly demonstrate an observable Meissner force between tip and sample, and allow for an estimation of the magnetic screening penetration depth.

A statistical model of aggregate fragmentation

NASA Astrophysics Data System (ADS)

Spahn, F.; Vieira Neto, E.; Guimarães, A. H. F.; Gorban, A. N.; Brilliantov, N. V.

2014-01-01

A statistical model of fragmentation of aggregates is proposed, based on the stochastic propagation of cracks through the body. The propagation rules are formulated on a lattice and mimic two important features of the process—a crack moves against the stress gradient while dissipating energy during its growth. We perform numerical simulations of the model for two-dimensional lattice and reveal that the mass distribution for small- and intermediate-size fragments obeys a power law, F(m)∝m-3/2, in agreement with experimental observations. We develop an analytical theory which explains the detected power law and demonstrate that the overall fragment mass distribution in our model agrees qualitatively with that one observed in experiments.

Localization of Stable and Chaotic Nonpropagating Structures in Nonlinear Mesoscopic Lattices.

NASA Astrophysics Data System (ADS)

Greenfield, Alan Barry

Recent developments in the study of non-linear localized states, especially non-propagating ones, are outlined. Theoretical models of linear and nonlinear states in a lattice of coupled pendulums and related systems are reviewed. Particular attention is paid to those states which can be described by the Nonlinear Schrodinger equation as well as states where two modes can coexist and states exhibiting chaos. Measurement of localized stable and chaotic states in a 35 site physical pendulum lattice is reported. Various measurement techniques that were used are explained. States that were measured include the tanh profile or kink soliton, and the corresponding uniform state in the wavelength 2 mode, a similar soliton and uniform state in the wavelength 4 mode, a domain wall between the wavelength 2 and 4 modes and a domain wall between a chaotic state and the wavelength 2 mode. Amplitude profiles were measured for the stable kink and domain wall states and smooth curves were obtained by dividing the kink states by the corresponding uniform states. Return maps were measured for two sites in the chaotic domain wall. Simulation of a chaotic domain wall in a 50 site numerical lattice is reported. This system has the advantage that its parameters can be modified much more easily than those of the physical lattice. An attempt is made at quantifying the level of chaos as a function of lattice site with fractal dimension calculations on return maps embedded in a three dimensional space. The drive plane of the chaotic domain wall is mapped out in the drive amplitude - drive frequency plane. Transitions to various stable and quasiperiodic domain walls are noted.

A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization

PubMed Central

Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

2015-01-01

It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence—with at most a linear convergence rate—because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method. PMID:26381742

A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization.

PubMed

Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

2015-01-01

It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.

Floristic composition and across-track reflectance gradient in Landsat images over Amazonian forests

NASA Astrophysics Data System (ADS)

Muro, Javier; doninck, Jasper Van; Tuomisto, Hanna; Higgins, Mark A.; Moulatlet, Gabriel M.; Ruokolainen, Kalle

2016-09-01

Remotely sensed image interpretation or classification of tropical forests can be severely hampered by the effects of the bidirectional reflection distribution function (BRDF). Even for narrow swath sensors like Landsat TM/ETM+, the influence of reflectance anisotropy can be sufficiently strong to introduce a cross-track reflectance gradient. If the BRDF could be assumed to be linear for the limited swath of Landsat, it would be possible to remove this gradient during image preprocessing using a simple empirical method. However, the existence of natural gradients in reflectance caused by spatial variation in floristic composition of the forest can restrict the applicability of such simple corrections. Here we use floristic information over Peruvian and Brazilian Amazonia acquired through field surveys, complemented with information from geological maps, to investigate the interaction of real floristic gradients and the effect of reflectance anisotropy on the observed reflectances in Landsat data. In addition, we test the assumption of linearity of the BRDF for a limited swath width, and whether different primary non-inundated forest types are characterized by different magnitudes of the directional reflectance gradient. Our results show that a linear function is adequate to empirically correct for view angle effects, and that the magnitude of the across-track reflectance gradient is independent of floristic composition in the non-inundated forests we studied. This makes a routine correction of view angle effects possible. However, floristic variation complicates the issue, because different forest types have different mean reflectances. This must be taken into account when deriving the correction function in order to avoid eliminating natural gradients.

Comment on ``Alternative approach to the solution of the dispersion relation for a generalized lattice Boltzmann equation''

NASA Astrophysics Data System (ADS)

Lallemand, Pierre; Luo, Li-Shi

2008-12-01

Recently Reis and Phillips [Phys. Rev. E 77, 026702 (2008)] proposed a perturbative method to solve the dispersion equation derived from the linearized lattice Boltzmann equation. We will demonstrate that the method proposed by Reis and Phillips is a reinvention of an existing method. We would also like to refute a number of claims made by Reis and Phillips.

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

DOE PAGES

Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

2015-08-06

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performingmore » microcanonical excited state molecular dynamics with p-nitroaniline.« less

Functional linear models to test for differences in prairie wetland hydraulic gradients

USGS Publications Warehouse

Greenwood, Mark C.; Sojda, Richard S.; Preston, Todd M.; Swayne, David A.; Yang, Wanhong; Voinov, A.A.; Rizzoli, A.; Filatova, T.

2010-01-01

Functional data analysis provides a framework for analyzing multiple time series measured frequently in time, treating each series as a continuous function of time. Functional linear models are used to test for effects on hydraulic gradient functional responses collected from three types of land use in Northeastern Montana at fourteen locations. Penalized regression-splines are used to estimate the underlying continuous functions based on the discretely recorded (over time) gradient measurements. Permutation methods are used to assess the statistical significance of effects. A method for accommodating missing observations in each time series is described. Hydraulic gradients may be an initial and fundamental ecosystem process that responds to climate change. We suggest other potential uses of these methods for detecting evidence of climate change.

Validity of Vegard’s rule for Al1-xInxN (0.08  <  x  <  0.28) thin films grown on GaN templates

NASA Astrophysics Data System (ADS)

Magalhães, S.; Franco, N.; Watson, I. M.; Martin, R. W.; O'Donnell, K. P.; Schenk, H. P. D.; Tang, F.; Sadler, T. C.; Kappers, M. J.; Oliver, R. A.; Monteiro, T.; Martin, T. L.; Bagot, P. A. J.; Moody, M. P.; Alves, E.; Lorenz, K.

2017-05-01

In this work, comparative x-ray diffraction (XRD) and Rutherford backscattering spectrometry (RBS) measurements allow a comprehensive characterization of Al1-xInxN thin films grown on GaN. Within the limits of experimental accuracy, and in the compositional range 0.08  <  x  <  0.28, the lattice parameters of the alloys generally obey Vegard’s rule, varying linearly with the InN fraction. Results are also consistent with the small deviation from linear behaviour suggested by Darakchieva et al (2008 Appl. Phys. Lett. 93 261908). However, unintentional incorporation of Ga, revealed by atom probe tomography (APT) at levels below the detection limit for RBS, may also affect the lattice parameters. Furthermore, in certain samples the compositions determined by XRD and RBS differ significantly. This fact, which was interpreted in earlier publications as an indication of a deviation from Vegard’s rule, may rather be ascribed to the influence of defects or impurities on the lattice parameters of the alloy. The wide-ranging set of Al1-xInxN films studied allowed furthermore a detailed investigation of the composition leading to lattice-matching of Al1-xInxN/GaN bilayers.

Investigations of possible states for coexistence of superconductivity and ferromagnetism

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

Ham, T.E.

1984-01-01

Ginzburg-Landau theory is used to investigate states in which both superconductivity and ferromagnetism exist simultaneously in certain rare-earth ternary compounds. The spontaneous vortex state of Kuper, Revzen and Ron is reexamined and extended to include magnetic oscillations within each vortex cell and the existence of antiferromagnetically aligned vortices. The linearly polarized state of Greenside, Blount and Varma is reinvestigated in what appears to be a more physically acceptable range of parameters that are used in the Ginzburg-Landau free energy functional. The square antiferromagnetic vortex lattice state proposed by Hu and Ham is investigated here for the first time, energetically comparedmore » to the states proposed by Kuper, et al. and Greenside, et al., and used to model the observed coexistence state observed in ErRh/sub 4/B/sub 4/. The results show that this square antiferromagnetic vortex lattice state is energetically favored over the linearly polarized state in large parameter and temperature range. Such a lattice also appears to be a good model to explain many of the experimental observations made on ErRh/sub 4/B/sub 4/. Thus, it is felt that this vortex lattice is the best model, yet examined, to explain the coexistence state in ErRh/sub 4/B/sub 4/.« less

Evaluation of differences between dual salt-pH gradient elution and mono gradient elution using a thermodynamic model: Simultaneous separation of six monoclonal antibody charge and size variants on preparative-scale ion exchange chromatographic resin.

PubMed

Lee, Yi Feng; Jöhnck, Matthias; Frech, Christian

2018-02-21

The efficiencies of mono gradient elution and dual salt-pH gradient elution for separation of six mAb charge and size variants on a preparative-scale ion exchange chromatographic resin are compared in this study. Results showed that opposite dual salt-pH gradient elution with increasing pH gradient and simultaneously decreasing salt gradient is best suited for the separation of these mAb charge and size variants on Eshmuno ® CPX. Besides giving high binding capacity, this type of opposite dual salt-pH gradient also provides better resolved mAb variant peaks and lower conductivity in the elution pools compared to single pH or salt gradients. To have a mechanistic understanding of the differences in mAb variants retention behaviors of mono pH gradient, parallel dual salt-pH gradient, and opposite dual salt-pH gradient, a linear gradient elution model was used. After determining the model parameters using the linear gradient elution model, 2D plots were used to show the pH and salt dependencies of the reciprocals of distribution coefficient, equilibrium constant, and effective ionic capacity of the mAb variants in these gradient elution systems. Comparison of the 2D plots indicated that the advantage of opposite dual salt-pH gradient system with increasing pH gradient and simultaneously decreasing salt gradient is the noncontinuous increased acceleration of protein migration. Furthermore, the fitted model parameters can be used for the prediction and optimization of mAb variants separation in dual salt-pH gradient and step elution. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 2018. © 2018 American Institute of Chemical Engineers.

A theoretical investigation of symmetry-origin unidirectional energy gradient in light-harvesting dendrimers.

PubMed

Koda, Shin-ichi

2016-03-21

We theoretically investigate a possibility that the symmetry of the repetitively branched structure of light-harvesting dendrimers creates the energy gradient descending toward inner generations (layers of pigment molecules) of the dendrimers. In the first half of this paper, we define a model system using the Frenkel exciton Hamiltonian that focuses only on the topology of dendrimers and numerically show that excitation energy tends to gather at inner generations of the model system at a thermal equilibrium state. This indicates that an energy gradient is formed in the model system. In the last half, we attribute this result to the symmetry of the model system and propose two symmetry-origin mechanisms creating the energy gradient. The present analysis and proposition are based on the theory of the linear chain (LC) decomposition [S. Koda, J. Chem. Phys. 142, 204112 (2015)], which equivalently transforms the model system into a set of one-dimensional systems on the basis of the symmetry of dendrimers. In the picture of the LC decomposition, we find that energy gradient is formed both in each linear chain and among linear chains, and these two mechanisms explain the numerical results well.

A theoretical investigation of symmetry-origin unidirectional energy gradient in light-harvesting dendrimers

NASA Astrophysics Data System (ADS)

Koda, Shin-ichi

2016-03-01

We theoretically investigate a possibility that the symmetry of the repetitively branched structure of light-harvesting dendrimers creates the energy gradient descending toward inner generations (layers of pigment molecules) of the dendrimers. In the first half of this paper, we define a model system using the Frenkel exciton Hamiltonian that focuses only on the topology of dendrimers and numerically show that excitation energy tends to gather at inner generations of the model system at a thermal equilibrium state. This indicates that an energy gradient is formed in the model system. In the last half, we attribute this result to the symmetry of the model system and propose two symmetry-origin mechanisms creating the energy gradient. The present analysis and proposition are based on the theory of the linear chain (LC) decomposition [S. Koda, J. Chem. Phys. 142, 204112 (2015)], which equivalently transforms the model system into a set of one-dimensional systems on the basis of the symmetry of dendrimers. In the picture of the LC decomposition, we find that energy gradient is formed both in each linear chain and among linear chains, and these two mechanisms explain the numerical results well.

Gap solitons in PT-symmetric optical lattices with higher-order diffraction.

PubMed

Ge, Lijuan; Shen, Ming; Ma, Chunlan; Zang, Taocheng; Dai, Lu

2014-12-01

The existence and stability of gap solitons are investigated in the semi-infinite gap of a parity-time (PT)-symmetric periodic potential (optical lattice) with a higher-order diffraction. The Bloch bands and band gaps of this PT-symmetric optical lattice depend crucially on the coupling constant of the fourth-order diffraction, whereas the phase transition point of this PT optical lattice remains unchangeable. The fourth-order diffraction plays a significant role in destabilizing the propagation of dipole solitons. Specifically, when the fourth-order diffraction coupling constant increases, the stable region of the dipole solitons shrinks as new regions of instability appear. However, fundamental solitons are found to be always linearly stable with arbitrary positive value of the coupling constant. We also investigate nonlinear evolution of the PT solitons under perturbation.

Flat bands in lattices with non-Hermitian coupling

NASA Astrophysics Data System (ADS)

Leykam, Daniel; Flach, Sergej; Chong, Y. D.

2017-08-01

We study non-Hermitian photonic lattices that exhibit competition between conservative and non-Hermitian (gain/loss) couplings. A bipartite sublattice symmetry enforces the existence of non-Hermitian flat bands, which are typically embedded in an auxiliary dispersive band and give rise to nondiffracting "compact localized states". Band crossings take the form of non-Hermitian degeneracies known as exceptional points. Excitations of the lattice can produce either diffracting or amplifying behaviors. If the non-Hermitian coupling is fine-tuned to generate an effective π flux, the lattice spectrum becomes completely flat, a non-Hermitian analog of Aharonov-Bohm caging in which the magnetic field is replaced by balanced gain and loss. When the effective flux is zero, the non-Hermitian band crossing points give rise to asymmetric diffraction and anomalous linear amplification.

Geologic and geophysical data for wells drilled at Raft River Valley, Cassia County, Idaho, in 1977-1978 and data for wells drilled previously

USGS Publications Warehouse

Nathenson, Manuel; Urban, Thomas C.; Covington, Harry R.

2014-01-01

For purposes of defining the thermal anomaly for the geothermal system, temperature gradients are calculated over long depth intervals on the basis of the appearance of reasonable linear segments on a temperature versus plot depth.  Temperature versus depth data for some drill holes can be represented by a single gradient, whereas others require multiple gradients to match the data.  Data for some drill holes clearly reflect vertical flows of water in the formation surrounding the drill holes, and water velocities are calculated for these drill holes.  Within The Narrows area, temperature versus depth data show reversals at different depth in different drill holes.  In the main thermal area, temperatures in intermediate-depth drill holes vary approximately linearly but with very high values of temperature gradient.  Temperature gradients on a map of the area can be reasonable divided into a large area of regional gradients and smaller areas defining the thermal anomalies.

Sznajd Opinion Dynamics with Global and Local Neighborhood

NASA Astrophysics Data System (ADS)

Schulze, Christian

In this modification of the Sznajd consensus model on the square lattice, two people of arbitrary distance who agree in their opinions convince their nearest neighbors of this opinion. Similarly to the mean field theory of Slanina and Lavicka, the times needed to reach consensus are distributed exponentially and are quite small. The width of the phase transition vanishes reciprocally to the linear lattice dimension. Advertising has effects independent of the system size. For more than two opinions, three opinions reach a consensus in roughly half of the samples, and four only rarely and only for small lattices. Up to 109 agents were simulated.

Lattice QCD results for the HVP contribution to the anomalous magnetic moments of leptons

NASA Astrophysics Data System (ADS)

2018-03-01

We present lattice QCD results by the Budapest-Marseille-Wuppertal (BMW) Collaboration for the leading-order contribution of the hadron vacuum polarization (LOHVP) to the anomalous magnetic moments of all charged leptons. Calculations are performed with u, d, s and c quarks at their physical masses, in volumes of linear extent larger than 6 fm, and at six values of the lattice spacing, allowing for controlled continuum extrapolations. All connected and disconnected contributions are calculated for not only the muon but also the electron and tau anomalous magnetic moments. Systematic uncertainties are thoroughly discussed and comparisons with other calculations and phenomenological estimates are made.

Lattice Independent Component Analysis for Mobile Robot Localization

NASA Astrophysics Data System (ADS)

Villaverde, Ivan; Fernandez-Gauna, Borja; Zulueta, Ekaitz

This paper introduces an approach to appearance based mobile robot localization using Lattice Independent Component Analysis (LICA). The Endmember Induction Heuristic Algorithm (EIHA) is used to select a set of Strong Lattice Independent (SLI) vectors, which can be assumed to be Affine Independent, and therefore candidates to be the endmembers of the data. Selected endmembers are used to compute the linear unmixing of the robot's acquired images. The resulting mixing coefficients are used as feature vectors for view recognition through classification. We show on a sample path experiment that our approach can recognise the localization of the robot and we compare the results with the Independent Component Analysis (ICA).

Discriminating between two reformulations of SU(3) Yang-Mills theory on a lattice

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

Shibata, Akihiro; Kondo, Kei-Ichi; Shinohara, Toru

2016-01-22

In order to investigate quark confinement, we give a new reformulation of the SU (N) Yang-Mills theory on a lattice and present the results of the numerical simulations of the SU (3) Yang-Mills theory on a lattice. The numerical simulations include the derivation of the linear potential for static interquark potential, i.e., non-vanishing string tension, in which the “Abelian” dominance and magnetic monopole dominance are established, confirmation of the dual Meissner effect by measuring the chromoelectric flux tube between quark-antiquark pair, the induced magnetic-monopole current, and the type of dual superconductivity, etc.

Lattice algebra approach to multispectral analysis of ancient documents.

PubMed

Valdiviezo-N, Juan C; Urcid, Gonzalo

2013-02-01

This paper introduces a lattice algebra procedure that can be used for the multispectral analysis of historical documents and artworks. Assuming the presence of linearly mixed spectral pixels captured in a multispectral scene, the proposed method computes the scaled min- and max-lattice associative memories to determine the purest pixels that best represent the spectra of single pigments. The estimation of fractional proportions of pure spectra at each image pixel is used to build pigment abundance maps that can be used for subsequent restoration of damaged parts. Application examples include multispectral images acquired from the Archimedes Palimpsest and a Mexican pre-Hispanic codex.

Non-linear osmosis

PubMed Central

Diamond, Jared M.

1966-01-01

1. The relation between osmotic gradient and rate of osmotic water flow has been measured in rabbit gall-bladder by a gravimetric procedure and by a rapid method based on streaming potentials. Streaming potentials were directly proportional to gravimetrically measured water fluxes. 2. As in many other tissues, water flow was found to vary with gradient in a markedly non-linear fashion. There was no consistent relation between the water permeability and either the direction or the rate of water flow. 3. Water flow in response to a given gradient decreased at higher osmolarities. The resistance to water flow increased linearly with osmolarity over the range 186-825 m-osM. 4. The resistance to water flow was the same when the gall-bladder separated any two bathing solutions with the same average osmolarity, regardless of the magnitude of the gradient. In other words, the rate of water flow is given by the expression (Om — Os)/[Ro′ + ½k′ (Om + Os)], where Ro′ and k′ are constants and Om and Os are the bathing solution osmolarities. 5. Of the theories advanced to explain non-linear osmosis in other tissues, flow-induced membrane deformations, unstirred layers, asymmetrical series-membrane effects, and non-osmotic effects of solutes could not explain the results. However, experimental measurements of water permeability as a function of osmolarity permitted quantitative reconstruction of the observed water flow—osmotic gradient curves. Hence non-linear osmosis in rabbit gall-bladder is due to a decrease in water permeability with increasing osmolarity. 6. The results suggest that aqueous channels in the cell membrane behave as osmometers, shrinking in concentrated solutions of impermeant molecules and thereby increasing membrane resistance to water flow. A mathematical formulation of such a membrane structure is offered. PMID:5945254

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.

Generalization of Equivalent Crystal Theory to Include Angular Dependence

NASA Technical Reports Server (NTRS)

Ferrante, John; Zypman, Fredy R.

2004-01-01

In the original Equivalent Crystal Theory, each atomic site in the real crystal is assigned an equivalent lattice constant, in general different from the ground state one. This parameter corresponds to a local compression or expansion of the lattice. The basic method considers these volumetric transformations and, in addition, introduces the possibility that the reference lattice is anisotropically distorted. These distortions however, were introduced ad-hoc. In this work, we generalize the original Equivalent Crystal Theory by systematically introducing site-dependent directional distortions of the lattice, whose corresponding distortions account for the dependence of the energy on anisotropic local density variations. This is done in the spirit of the original framework, but including a gradient term in the density. This approach is introduced to correct a deficiency in the original Equivalent Crystal Theory and other semiempirical methods in quantitatively obtaining the correct ratios of the surface energies of low index planes of cubic metals (100), (110), and (111). We develop here the basic framework, and apply it to the calculation of Fe (110) and Fe (111) surface energy formation. The results, compared with first principles calculations, show an improvement over previous semiempirical approaches.

Structure resonances due to space charge in periodic focusing channels

NASA Astrophysics Data System (ADS)

Li, Chao; Jameson, R. A.

2018-02-01

The Vlasov-Poisson model is one of the most effective methods to study the space charge dominated beam evolution self-consistently in a periodic focusing channel. Since the approach to get the solution with this model is not trivial, previous studies are limited in degenerated conditions, either in smoothed channel (constant focusing) [I. Hofmann, Phys. Rev. E 57, 4713 (1998)] or in alternating gradient focusing channel with equal initial beam emittance condition in the degrees of freedom [I. Hofmann et al., Part. Accel. 13, 145 (1983); Chao Li et al., THOBA02, IPAC2016]. To establish a basis, we intentionally limit this article to the study of the pure transverse periodic focusing lattice with arbitrary initial beam condition, and the same lattice structure in both degrees of freedom, but with possibility of different focusing strengths. This will show the extension of the existing work. The full Hamiltonian is invoked for a pure transverse focusing lattice in various initial beam conditions, revealing different mode structure and additional modes beyond those of the degenerated cases. Application of the extended method to realistic lattices (including longitudinal accelerating elements) and further details will then reveal many new insights, and will be presented in later work.

Spatial self-organization of macroscopic quantum states of exciton-polaritons in acoustic lattices

NASA Astrophysics Data System (ADS)

Buller, J. V. T.; Cerda-Méndez, E. A.; Balderas-Navarro, R. E.; Biermann, K.; Santos, P. V.

2016-07-01

Exciton-polariton systems can sustain macroscopic quantum states (MQSs) under a periodic potential modulation. In this paper, we investigate the structure of these states in acoustic square lattices by probing their wave functions in real and momentum spaces using spectral tomography. We show that the polariton MQSs, when excited by a Gaussian laser beam, self-organize in a concentric structure, consisting of a single, two-dimensional gap-soliton (GS) state surrounded by one dimensional (1D) MQSs with lower energy. The latter form at hyperbolical points of the modulated polariton dispersion. While the size of the GS tends to saturate with increasing particle density, the emission region of the surrounding 1D states increases. The existence of these MQSs in acoustic lattices is quantitatively supported by a theoretical model based on the variational solution of the Gross-Pitaevskii equation. The formation of the 1D states in a ring around the central GS is attributed to the energy gradient in this region, which reduces the overall symmetry of the lattice. The results broaden the experimental understanding of self-localized polariton states, which may prove relevant for functionalities exploiting solitonic objects.

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.

The effect of lymphatic valve morphology on fluid transport

NASA Astrophysics Data System (ADS)

Alexeev, Alexander; Ballard, Matthew; Nepiyushchikh, Zhanna; Dixon, Brandon

2016-11-01

The lymphatic vasculature is present in nearly all invertebrate tissue, and is essential in the transport of fluid and particles such as immune cells, antigens, proteins and lipids from the tissue to lymph nodes and to the venous circulation. Lymphatic vessels are made of up a series of contractile units that work together in harmony as "micro hearts" to pump fluid against a pressure gradient. Lymphatic valves are critical to this functionality, as they open and close with the oscillating pressure gradients from contractions, thus allowing flow in only one direction and leading to a net pumping effect. We use a hybrid lattice-Boltzmann lattice spring model which captures fluid-solid interactions through two-way coupling between a viscous fluid and lymphatic valves in a section of a lymphatic vessel to study the dynamics of lymphatic valves and their effect on fluid transport. Further, we investigate the effect of variations in valve geometry and material properties on fluid pumping. This work helps to increase our understanding of the mechanisms of lymphatic fluid transport, which has implications in a variety of pathologies, including cancer metastasis, autoimmunity, atherosclerosis and obesity. Support from NSF CMMI 1635133 is gratefully acknowledged.

Plant communities, soil carbon, and soil nitrogen properties in a successional gradient of sub-alpine meadows on the eastern Tibetan plateau of China.

PubMed

Li, Wen-Jin; Li, Jin-Hua; Knops, Johannes M H; Wang, Gang; Jia, Ju-Jie; Qin, Yan-Yan

2009-10-01

To assess the recovery trajectory and self-maintenance of restored ecosystems, a successional gradient (1, 3, 5, 15, and 30 years after abandonment) was established in a sub-alpine meadow of the eastern Tibetan Plateau in China. Plant communities and soil carbon and nitrogen properties were investigated and analyzed. Regression analyses were used to assess the models (linear or quadratic) relating measures of species richness, soil carbon and nitrogen properties to fallow time. We found that species richness (S) increased over the first 20 years but decreased thereafter, and aboveground biomass showed a linear increase along the fallow time gradient. The richness of different functional groups (forb, grass and legume) changed little along the fallow time gradient, but their corresponding above ground biomass showed the U-shaped, humped or linear pattern. Soil microbial carbon (MBC) and nitrogen (MBN) in the upper 20 cm showed a U-shaped pattern along the fallow time gradient. However, soil organic carbon (C(org)) and total nitrogen (TN) in the soil at depth greater than 20 cm showed significant patterns of linear decline along the fallow time gradient. The threshold models of species richness reflected best the recovery over the 15 year fallow period. These results indicated that fallow time had a greater influence on development of the plant community than soil processes in abandoned fields in sub-alpine meadow ecosystem. These results also suggested that although the succession process did not significantly increase soil C, an increase in microbial biomass at the latter stage of succession could promote the decomposability of plant litter. Therefore, abandoned fields in sub-alpine meadow ecosystem may have a high resilience and strong rehabilitating capability under natural recovery condition.

Designing gradient coils with reduced hot spot temperatures.

PubMed

While, Peter T; Forbes, Larry K; Crozier, Stuart

2010-03-01

Gradient coil temperature is an important concern in the design and construction of MRI scanners. Closely spaced gradient coil windings cause temperature hot spots within the system as a result of Ohmic heating associated with large current being driven through resistive material, and can strongly affect the performance of the coils. In this paper, a model is presented for predicting the spatial temperature distribution of a gradient coil, including the location and extent of temperature hot spots. Subsequently, a method is described for designing gradient coils with improved temperature distributions and reduced hot spot temperatures. Maximum temperature represents a non-linear constraint and a relaxed fixed point iteration routine is proposed to adjust coil windings iteratively to minimise this coil feature. Several examples are considered that assume different thermal material properties and cooling mechanisms for the gradient system. Coil winding solutions are obtained for all cases considered that display a considerable drop in hot spot temperature (>20%) when compared to standard minimum power gradient coils with equivalent gradient homogeneity, efficiency and inductance. The method is semi-analytical in nature and can be adapted easily to consider other non-linear constraints in the design of gradient coils or similar systems. Crown Copyright (c) 2009. Published by Elsevier Inc. All rights reserved.

Coupling effect of topological states and Chern insulators in two-dimensional triangular lattices

NASA Astrophysics Data System (ADS)

Zhang, Jiayong; Zhao, Bao; Xue, Yang; Zhou, Tong; Yang, Zhongqin

2018-03-01

We investigate topological states of two-dimensional (2D) triangular lattices with multiorbitals. Tight-binding model calculations of a 2D triangular lattice based on px and py orbitals exhibit very interesting doubly degenerate energy points at different positions (Γ and K /K' ) in momentum space, with quadratic non-Dirac and linear Dirac band dispersions, respectively. Counterintuitively, the system shows a global topologically trivial rather than nontrivial state with consideration of spin-orbit coupling due to the "destructive interference effect" between the topological states at the Γ and K /K' points. The topologically nontrivial state can emerge by introducing another set of triangular lattices to the system (bitriangular lattices) due to the breakdown of the interference effect. With first-principles calculations, we predict an intrinsic Chern insulating behavior (quantum anomalous Hall effect) in a family of the 2D triangular lattice metal-organic framework of Co(C21N3H15) (TPyB-Co) from this scheme. Our results provide a different path and theoretical guidance for the search for and design of new 2D topological quantum materials.

Application of Conjugate Gradient methods to tidal simulation

USGS Publications Warehouse

Barragy, E.; Carey, G.F.; Walters, R.A.

1993-01-01

A harmonic decomposition technique is applied to the shallow water equations to yield a complex, nonsymmetric, nonlinear, Helmholtz type problem for the sea surface and an accompanying complex, nonlinear diagonal problem for the velocities. The equation for the sea surface is linearized using successive approximation and then discretized with linear, triangular finite elements. The study focuses on applying iterative methods to solve the resulting complex linear systems. The comparative evaluation includes both standard iterative methods for the real subsystems and complex versions of the well known Bi-Conjugate Gradient and Bi-Conjugate Gradient Squared methods. Several Incomplete LU type preconditioners are discussed, and the effects of node ordering, rejection strategy, domain geometry and Coriolis parameter (affecting asymmetry) are investigated. Implementation details for the complex case are discussed. Performance studies are presented and comparisons made with a frontal solver. ?? 1993.

Traveling and Standing Waves in Coupled Pendula and Newton's Cradle

NASA Astrophysics Data System (ADS)

García-Azpeitia, Carlos

2016-12-01

The existence of traveling and standing waves is investigated for chains of coupled pendula with periodic boundary conditions. The results are proven by applying topological methods to subspaces of symmetric solutions. The main advantage of this approach comes from the fact that only properties of the linearized forces are required. This allows to cover a wide range of models such as Newton's cradle, the Fermi-Pasta-Ulam lattice, and the Toda lattice.

Möbius domain-wall fermions on gradient-flowed dynamical HISQ ensembles

NASA Astrophysics Data System (ADS)

Berkowitz, Evan; Bouchard, Chris; Chang, Chia Cheng; Clark, M. A.; Joó, Bálint; Kurth, Thorsten; Monahan, Christopher; Nicholson, Amy; Orginos, Kostas; Rinaldi, Enrico; Vranas, Pavlos; Walker-Loud, André

2017-09-01

We report on salient features of a mixed lattice QCD action using valence Möbius domain-wall fermions solved on the dynamical Nf=2 +1 +1 highly improved staggered quark sea-quark ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of the valence fermions are shown to be significantly improved by utilizing the gradient-flow scheme to first smear the highly improved staggered quark configurations. The greater numerical cost of the Möbius domain-wall inversions is mitigated by the highly efficient QUDA library optimized for NVIDIA GPU accelerated compute nodes. We have created an interface to this optimized QUDA solver in Chroma. We provide tuned parameters of the action and performance of QUDA using ensembles with the lattice spacings a ≃{0.15 ,0.12 ,0.09 } fm and pion masses mπ≃{310 ,220 ,130 } MeV . We have additionally generated two new ensembles with a ˜0.12 fm and mπ˜{400 ,350 } MeV . With a fixed flow time of tg f=1 in lattice units, the residual chiral symmetry breaking of the valence fermions is kept below 10% of the light quark mass on all ensembles, mres≲0.1 ×ml , with moderate values of the fifth dimension L5 and a domain-wall height M5≤1.3 . As a benchmark calculation, we perform a continuum, infinite volume, physical pion and kaon mass extrapolation of FK±/Fπ± and demonstrate our results are independent of flow time and consistent with the FLAG determination of this quantity at the level of less than one standard deviation.

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

Motion Driven by Strain Gradient Fields

PubMed Central

Wang, Chao; Chen, Shaohua

2015-01-01

A new driving mechanism for direction-controlled motion of nano-scale objects is proposed, based on a model of stretching a graphene strip linked to a rigid base with linear springs of identical stiffness. We find that the potential energy difference induced by the strain gradient field in the graphene strip substrate can generate sufficient force to overcome the static and kinetic friction forces between the nano-flake and the strip substrate, resulting in the nanoscale flake motion in the direction of gradient reduction. The dynamics of the nano-flake can be manipulated by tuning the stiffness of linear springs, stretching velocity and the flake size. This fundamental law of directional motion induced by strain gradient could be very useful for promising designs of nanoscale manipulation, transportation and smart surfaces. PMID:26323603

Linear stability analysis of the Vlasov-Poisson equations in high density plasmas in the presence of crossed fields and density gradients

NASA Technical Reports Server (NTRS)

Kaup, D. J.; Hansen, P. J.; Choudhury, S. Roy; Thomas, Gary E.

1986-01-01

The equations for the single-particle orbits in a nonneutral high density plasma in the presence of inhomogeneous crossed fields are obtained. Using these orbits, the linearized Vlasov equation is solved as an expansion in the orbital radii in the presence of inhomogeneities and density gradients. A model distribution function is introduced whose cold-fluid limit is exactly the same as that used in many previous studies of the cold-fluid equations. This model function is used to reduce the linearized Vlasov-Poisson equations to a second-order ordinary differential equation for the linearized electrostatic potential whose eigenvalue is the perturbation frequency.

Model of separation performance of bilinear gradients in scanning format counter-flow gradient electrofocusing techniques.

PubMed

Shameli, Seyed Mostafa; Glawdel, Tomasz; Ren, Carolyn L

2015-03-01

Counter-flow gradient electrofocusing allows the simultaneous concentration and separation of analytes by generating a gradient in the total velocity of each analyte that is the sum of its electrophoretic velocity and the bulk counter-flow velocity. In the scanning format, the bulk counter-flow velocity is varying with time so that a number of analytes with large differences in electrophoretic mobility can be sequentially focused and passed by a single detection point. Studies have shown that nonlinear (such as a bilinear) velocity gradients along the separation channel can improve both peak capacity and separation resolution simultaneously, which cannot be realized by using a single linear gradient. Developing an effective separation system based on the scanning counter-flow nonlinear gradient electrofocusing technique usually requires extensive experimental and numerical efforts, which can be reduced significantly with the help of analytical models for design optimization and guiding experimental studies. Therefore, this study focuses on developing an analytical model to evaluate the separation performance of scanning counter-flow bilinear gradient electrofocusing methods. In particular, this model allows a bilinear gradient and a scanning rate to be optimized for the desired separation performance. The results based on this model indicate that any bilinear gradient provides a higher separation resolution (up to 100%) compared to the linear case. This model is validated by numerical studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A novel pressure variation study on electronic structure, mechanical stability and thermodynamic properties of potassium based fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.

Rotational cavity optomechanics

NASA Astrophysics Data System (ADS)

Wetzel, Wyatt; Rodenburg, B.; Ek, B.; Jha, A. K.; Bhattacharya, M.

2017-04-01

We consider optomechanics based on the exchange of orbital angular momentum between light and matter. Specifically we consider a nanoparticle levitated in an optical ring trap in a cavity. The motion of this particle is probed by an angular lattice created by two co-propagating beams carrying equal but opposite angular momenta. Firstwe consider the case where the lattice is weak, so the nanoparticle can execute complete rotations about the cavity axis. We establishanalytically the existence of a linear regime where accurate Doppler velocimetry can be performed on the nanoparticle, and also describe numerically the dynamics in the nonlinear regime where the velocimetry is no longer accurate. Second, we consider the case where the lattice is strong and the nanoparticle executes torsional motion about the cavity axis. We find the presence of an external torque introduces an instability, but can also be used to tune continuously the linear optomechanical coupling whose strength can be measured by homodyning the cavity output field. This research was supported by the National Science Foundation (NSF) (1454931), the Office of Naval Research (N00014-14-1-0803), and the Research Corporation for Science Advancement (20966).

Linear flavor-wave theory for fully antisymmetric SU(N ) irreducible representations

NASA Astrophysics Data System (ADS)

Kim, Francisco H.; Penc, Karlo; Nataf, Pierre; Mila, Frédéric

2017-11-01

The extension of the linear flavor-wave theory to fully antisymmetric irreducible representations (irreps) of SU (N ) is presented in order to investigate the color order of SU (N ) antiferromagnetic Heisenberg models in several two-dimensional geometries. The square, triangular, and honeycomb lattices are considered with m fermionic particles per site. We present two different methods: the first method is the generalization of the multiboson spin-wave approach to SU (N ) which consists of associating a Schwinger boson to each state on a site. The second method adopts the Read and Sachdev bosons which are an extension of the Schwinger bosons that introduces one boson for each color and each line of the Young tableau. The two methods yield the same dispersing modes, a good indication that they properly capture the semiclassical fluctuations, but the first one leads to spurious flat modes of finite frequency not present in the second one. Both methods lead to the same physical conclusions otherwise: long-range Néel-type order is likely for the square lattice for SU(4) with two particles per site, but quantum fluctuations probably destroy order for more than two particles per site, with N =2 m . By contrast, quantum fluctuations always lead to corrections larger than the classical order parameter for the tripartite triangular lattice (with N =3 m ) or the bipartite honeycomb lattice (with N =2 m ) for more than one particle per site, m >1 , making the presence of color very unlikely except maybe for m =2 on the honeycomb lattice, for which the correction is only marginally larger than the classical order parameter.

Testing of advanced technique for linear lattice and closed orbit correction by modeling its application for iota ring at Fermilab

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

Romanov, A.

Many modern and most future accelerators rely on precise configuration of lattice and trajectory. The Integrable Optics Test Accelerator (IOTA) at Fermilab that is coming to final stages of construction will be used to test advanced approaches of control over particles dynamics. Various experiments planned at IOTA require high flexibility of lattice configuration as well as high precision of lattice and closed orbit control. Dense element placement does not allow to have ideal configuration of diagnostics and correctors for all planned experiments. To overcome this limitations advanced method of lattice an beneficial for other machines. Developed algorithm is based onmore » LOCO approach, extended with various sets of other experimental data, such as dispersion, BPM BPM phase advances, beam shape information from synchrotron light monitors, responses of closed orbit bumps to variations of focusing elements and other. Extensive modeling of corrections for a big number of random seed errors is used to illustrate benefits from developed approach.« less

Mixtures of bosonic and fermionic atoms in optical lattices

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

Albus, Alexander; Dipartimento di Fisica, Universita di Salerno, Via S. Allende, I-84081 Baronissi; Illuminati, Fabrizio

2003-08-01

We discuss the theory of mixtures of bosonic and fermionic atoms in periodic potentials at zero temperature. We derive a general Bose-Fermi Hubbard Hamiltonian in a one-dimensional optical lattice with a superimposed harmonic trapping potential. We study the conditions for linear stability of the mixture and derive a mean-field criterion for the onset of a bosonic superfluid transition. We investigate the ground-state properties of the mixture in the Gutzwiller formulation of mean-field theory, and present numerical studies of finite systems. The bosonic and fermionic density distributions and the onset of quantum phase transitions to demixing and to a bosonic Mott-insulatormore » are studied as a function of the lattice potential strength. The existence is predicted of a disordered phase for mixtures loaded in very deep lattices. Such a disordered phase possessing many degenerate or quasidegenerate ground states is related to a breaking of the mirror symmetry in the lattice.« less

Spectroscopy of the BSM sextet model

NASA Astrophysics Data System (ADS)

Fodor, Zoltan; Holland, Kieran; Kuti, Julius; Nogradi, Daniel; Wong, Chik Him

2018-03-01

As part of our ongoing lattice study of SU(3) gauge theory with two flavors of fermions in the two-index symmetric representation (the sextet model), we present the current status of the pseudoscalar particle spectrum. We use a mixed action approach based on the gradient flow to control lattice artifacts, allowing a simultaneous extrapolation to the chiral and continuum limits. We find strong evidence that the pseudoscalar is a Goldstone boson state, with spontaneously broken chiral symmetry and a non-zero Goldstone decay constant in the chiral limit. In agreement with our study of the gauge coupling β function, we find the sextet model appears to be a near-conformal gauge theory and serves as a prototype of the composite Higgs BSM template.

Linear thermal circulator based on Coriolis forces.

PubMed

Li, Huanan; Kottos, Tsampikos

2015-02-01

We show that the presence of a Coriolis force in a rotating linear lattice imposes a nonreciprocal propagation of the phononic heat carriers. Using this effect we propose the concept of Coriolis linear thermal circulator which can control the circulation of a heat current. A simple model of three coupled harmonic masses on a rotating platform permits us to demonstrate giant circulating rectification effects for moderate values of the angular velocities of the platform.

Linearly chirped fiber Bragg grating response to thermal gradient: from bench tests to the real-time assessment during in vivo laser ablations of biological tissue.

PubMed

Saccomandi, Paola; Varalda, Ambra; Gassino, Riccardo; Tosi, Daniele; Massaroni, Carlo; Caponero, Michele A; Pop, Raoul; Korganbayev, Sanzhar; Perrone, Guido; Diana, Michele; Vallan, Alberto; Costamagna, Guido; Marescaux, Jacques; Schena, Emiliano

2017-09-01

The response of a fiber optic sensor [linearly chirped fiber Bragg grating (LCFBG)] to a linear thermal gradient applied on its sensing length (i.e., 1.5 cm) has been investigated. After these bench tests, we assessed their feasibility for temperature monitoring during thermal tumor treatment. In particular, we performed experiments during ex vivo laser ablation (LA) in pig liver and in vivo thermal ablation in animal models (pigs). We investigated the following: (i) the relationship between the full width at half maximum of the LCFBG spectrum and the temperature difference among the extremities of the LCFBG and (ii) the relationship between the mean spectrum wavelength and the mean temperature acting on the LCFBG sensing area. These relationships showed a linear trend during both bench tests and LA in animal models. Thermal sensitivity was significant although different values were found with regards to bench tests and animal experiments. The linear trend and significant sensitivity allow hypothesizing a future use of this kind of sensor to monitor both temperature gradient and mean temperature within a tissue undergoing thermal treatment. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

The optical spectrum of ternary alloy BBi1-xAsx

NASA Astrophysics Data System (ADS)

Yalcin, Battal G.; Aslan, M.; Ozcan, M. H.; Rahnamaye Aliabad, H. A.

2016-06-01

Among the III-V semiconductors, boron BBi and BAs as well as their alloys have attracted both scientific and technological interest in recent years. We present a calculation of the structural, electronic and optical properties of ternary alloy BBi1-xAsx by means of the WIEN2k software package. The exchange-correlation potential is treated by the generalized gradient approximation (GGA) within the schema of Wu and Cohen. Also, we have used the modified Becke-Johnson (mBJ) formalism to improve the band gap results. All the calculations have been performed after geometry optimization. In this study, we have investigated structural properties such as the lattice constant (a0), bulk modulus (B0) and its pressure derivative (B‧), and calculated the electronic band structures of the studied materials. Accurate calculation of linear optical properties, such as real (ɛ 1) and imaginary (ɛ 2) dielectric functions, reflectivity (R), electron energy loss spectrum, absorption coefficient (α), refractive index (n) and sum rule (Neff) are investigated. Our obtained results for studied binary compounds, BBi and BAs, fairly coincide with other theoretical calculations and experimental measurements. According to the best of our knowledge, no experimental or theoretical data are presently available for the studied ternary alloy BBi1-xAsx (0 < x < 1). The role of electronic band structure calculation with regards to the linear optical properties of BBi1-xAsx is discussed. The effect of the spin-orbit interaction (SOI) is also investigated and found to be quite small.

How mesoscopic staircases condense to macroscopic barriers in confined plasma turbulence

NASA Astrophysics Data System (ADS)

Ashourvan, Arash; Diamond, P. H.

2016-11-01

This Rapid Communication sets forth the mechanism by which mesoscale staircase structures condense to form macroscopic states of enhanced confinement. Density, vorticity, and turbulent potential enstrophy are the variables for this model. Formation of the staircase structures is due to inhomogeneous mixing of (generalized) potential vorticity (PV). Such mixing results in the local sharpening of density and vorticity gradients. When PV gradients steepen, the density staircase structure develops into a lattice of mesoscale "jumps" and "steps," which are, respectively, regions of local gradient steepening and flattening. The jumps then merge and migrate in radius, leading to the emergence of a new macroscale profile structure, so indicating that profile self-organization is a global process, which may be described by a local, but nonlinear model. This work predicts and demonstrates how mesoscale condensation of staircases leads to global states of enhanced confinement.

Influence of smooth temperature variation on hotspot ignition

NASA Astrophysics Data System (ADS)

Reinbacher, Fynn; Regele, Jonathan David

2018-01-01

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H2-air reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. However, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.

Lattice Boltzmann model for simulation of magnetohydrodynamics

NASA Technical Reports Server (NTRS)

Chen, Shiyi; Chen, Hudong; Martinez, Daniel; Matthaeus, William

1991-01-01

A numerical method, based on a discrete Boltzmann equation, is presented for solving the equations of magnetohydrodynamics (MHD). The algorithm provides advantages similar to the cellular automaton method in that it is local and easily adapted to parallel computing environments. Because of much lower noise levels and less stringent requirements on lattice size, the method appears to be more competitive with traditional solution methods. Examples show that the model accurately reproduces both linear and nonlinear MHD phenomena.

Toric Networks, Geometric R-Matrices and Generalized Discrete Toda Lattices

NASA Astrophysics Data System (ADS)

Inoue, Rei; Lam, Thomas; Pylyavskyy, Pavlo

2016-11-01

We use the combinatorics of toric networks and the double affine geometric R-matrix to define a three-parameter family of generalizations of the discrete Toda lattice. We construct the integrals of motion and a spectral map for this system. The family of commuting time evolutions arising from the action of the R-matrix is explicitly linearized on the Jacobian of the spectral curve. The solution to the initial value problem is constructed using Riemann theta functions.

Excitation of transverse dipole and quadrupole modes in a pure ion plasma in a linear Paul trap to study collective processes in intense beams

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

Gilson, Erik P.; Davidson, Ronald C.; Efthimion, Philip C.

Transverse dipole and quadrupole modes have been excited in a one-component cesium ion plasma trapped in the Paul Trap Simulator Experiment (PTSX) in order to characterize their properties and understand the effect of their excitation on equivalent long-distance beam propagation. The PTSX device is a compact laboratory Paul trap that simulates the transverse dynamics of a long, intense charge bunch propagating through an alternating-gradient transport system by putting the physicist in the beam's frame of reference. A pair of arbitrary function generators was used to apply trapping voltage waveform perturbations with a range of frequencies and, by changing which electrodesmore » were driven with the perturbation, with either a dipole or quadrupole spatial structure. The results presented in this paper explore the dependence of the perturbation voltage's effect on the perturbation duration and amplitude. Perturbations were also applied that simulate the effect of random lattice errors that exist in an accelerator with quadrupole magnets that are misaligned or have variance in their field strength. The experimental results quantify the growth in the equivalent transverse beam emittance that occurs due to the applied noise and demonstrate that the random lattice errors interact with the trapped plasma through the plasma's internal collective modes. Coherent periodic perturbations were applied to simulate the effects of magnet errors in circular machines such as storage rings. The trapped one component plasma is strongly affected when the perturbation frequency is commensurate with a plasma mode frequency. The experimental results, which help to understand the physics of quiescent intense beam propagation over large distances, are compared with analytic models.« less

Effects of Co doping on the metamagnetic states of the ferromagnetic fcc Fe-Co alloy.

PubMed

Ortiz-Chi, Filiberto; Aguayo, Aarón; de Coss, Romeo

2013-01-16

The evolution of the metamagnetic states in the ferromagnetic face centered cubic (fcc) Fe(1-x)Co(x) alloy as a function of Co concentration has been studied by means of first-principles calculations. The ground state properties were obtained using the full-potential linear augmented plane wave method and the generalized gradient approximation for the exchange-correlation functional. The alloying was modeled using the virtual crystal approximation and the magnetic states were obtained from the calculations of the total energy as a function of the spin moment, using the fixed spin moment method. For ferromagnetic fcc Fe, the binding-energy curve shows metamagnetic behavior, with two minima corresponding to a small-volume, low-spin (LS) state and a large-volume, high-spin (HS) state, which are separated by a small energy (E(LS) ≲ E(HS)). The evolution of the magnetic moment, the exchange integral (J), and the binding-energy curve is analyzed in the whole range of Co concentrations (x). The magnetic moment corresponding to the HS state decreases monotonically from 2.6 μ(B)/atom in fcc Fe to 1.7 μ(B)/atom in fcc Co. In contrast, the exchange integral for the HS state shows a maximum at around x = 0.45. The thermal dependence of the lattice parameter is evaluated with a method based on statistical mechanics using the binding-energy curve as an effective potential. It is observed that the behavior of the lattice parameter with temperature is tuned by Co doping, from negative thermal expansion in fcc Fe to positive thermal expansion in fcc Co, through the modification of the energetics of the metamagnetic states.

An application of the discrete-time Toda lattice to the progressive algorithm by Lanczos and related problems

NASA Astrophysics Data System (ADS)

Nakamura, Yoshimasa; Sekido, Hiroto

2018-04-01

The finite or the semi-infinite discrete-time Toda lattice has many applications to various areas in applied mathematics. The purpose of this paper is to review how the Toda lattice appears in the Lanczos algorithm through the quotient-difference algorithm and its progressive form (pqd). Then a multistep progressive algorithm (MPA) for solving linear systems is presented. The extended Lanczos parameters can be given not by computing inner products of the extended Lanczos vectors but by using the pqd algorithm with highly relative accuracy in a lower cost. The asymptotic behavior of the pqd algorithm brings us some applications of MPA related to eigenvectors.

Anomalous magnon Nernst effect of topological magnonic materials

NASA Astrophysics Data System (ADS)

Wang, X. S.; Wang, X. R.

2018-05-01

The magnon transport driven by a thermal gradient in a perpendicularly magnetized honeycomb lattice is studied. The system with the nearest-neighbor pseudodipolar interaction and the next-nearest-neighbor Dzyaloshinskii–Moriya interaction has various topologically nontrivial phases. When an in-plane thermal gradient is applied, a transverse in-plane magnon current is generated. This phenomenon is termed as the anomalous magnon Nernst effect that closely resembles the anomalous Nernst effect for an electronic system. The anomalous magnon Nernst coefficient and its sign are determined by the magnon Berry curvature distributions in the momentum space and magnon populations in the magnon bands. We predict a temperature-induced sign reversal in anomalous magnon Nernst effect under certain conditions.

Electric Dipole Moment Results from lattice QCD

NASA Astrophysics Data System (ADS)

Dragos, Jack; Luu, Thomas; Shindler, Andrea; de Vries, Jordy

2018-03-01

We utilize the gradient flow to define and calculate electric dipole moments induced by the strong QCD θ-term and the dimension-6 Weinberg operator. The gradient flow is a promising tool to simplify the renormalization pattern of local operators. The results of the nucleon electric dipole moments are calculated on PACS-CS gauge fields (available from the ILDG) using Nf = 2+1, of discrete size 323×64 and spacing a ≃ 0.09 fm. These gauge fields use a renormalization-group improved gauge action and a nonperturbatively O(a) improved clover quark action at β = 1.90, with cSW = 1.715. The calculation is performed at pion masses of mπ ≃ 411, 701 MeV.

Lattice enumeration for inverse molecular design using the signature descriptor.

PubMed

Martin, Shawn

2012-07-23

We describe an inverse quantitative structure-activity relationship (QSAR) framework developed for the design of molecular structures with desired properties. This framework uses chemical fragments encoded with a molecular descriptor known as a signature. It solves a system of linear constrained Diophantine equations to reorganize the fragments into novel molecular structures. The method has been previously applied to problems in drug and materials design but has inherent computational limitations due to the necessity of solving the Diophantine constraints. We propose a new approach to overcome these limitations using the Fincke-Pohst algorithm for lattice enumeration. We benchmark the new approach against previous results on LFA-1/ICAM-1 inhibitory peptides, linear homopolymers, and hydrofluoroether foam blowing agents. Software implementing the new approach is available at www.cs.otago.ac.nz/homepages/smartin.

Interaction driven quantum Hall effect in artificially stacked graphene bilayers

PubMed Central

Iqbal, Muhammad Zahir; Iqbal, Muhammad Waqas; Siddique, Salma; Khan, Muhammad Farooq; Ramay, Shahid Mahmood; Nam, Jungtae; Kim, Keun Soo; Eom, Jonghwa

2016-01-01

The honeycomb lattice structure of graphene gives rise to its exceptional electronic properties of linear dispersion relation and its chiral nature of charge carriers. The exceptional electronic properties of graphene stem from linear dispersion relation and chiral nature of charge carries, originating from its honeycomb lattice structure. Here, we address the quantum Hall effect in artificially stacked graphene bilayers and single layer graphene grown by chemical vapor deposition. The quantum Hall plateaus started to appear more than 3 T and became clearer at higher magnetic fields up to 9 T. Shubnikov-de Hass oscillations were manifestly observed in graphene bilayers texture. These unusual plateaus may have been due to the layers interaction in artificially stacked graphene bilayers. Our study initiates the understanding of interactions between artificially stacked graphene layers. PMID:27098387

Interaction driven quantum Hall effect in artificially stacked graphene bilayers.

PubMed

Iqbal, Muhammad Zahir; Iqbal, Muhammad Waqas; Siddique, Salma; Khan, Muhammad Farooq; Ramay, Shahid Mahmood; Nam, Jungtae; Kim, Keun Soo; Eom, Jonghwa

2016-04-21

The honeycomb lattice structure of graphene gives rise to its exceptional electronic properties of linear dispersion relation and its chiral nature of charge carriers. The exceptional electronic properties of graphene stem from linear dispersion relation and chiral nature of charge carries, originating from its honeycomb lattice structure. Here, we address the quantum Hall effect in artificially stacked graphene bilayers and single layer graphene grown by chemical vapor deposition. The quantum Hall plateaus started to appear more than 3 T and became clearer at higher magnetic fields up to 9 T. Shubnikov-de Hass oscillations were manifestly observed in graphene bilayers texture. These unusual plateaus may have been due to the layers interaction in artificially stacked graphene bilayers. Our study initiates the understanding of interactions between artificially stacked graphene layers.

Simulation of ion-temperature-gradient turbulence in tokamaks

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

Cohen, B I; Dimits, A M; Kim, C

Results are presented from nonlinear gyrokinetic simulations of toroidal ion temperature gradient (ITG) turbulence and transport. The gyrokinetic simulations are found to yield values of the thermal diffusivity significantly lower than gyrofluid or IFS-PPPL-model predictions. A new phenomenon of nonlinear effective critical gradients larger than the linear instability threshold gradients is observed, and is associated with undamped flux-surface-averaged shear flows. The nonlinear gyrokineic codes have passed extensive validity tests which include comparison against independent linear calculations, a series of nonlinear convergence tests, and a comparison between two independent nonlinear gyrokinetic codes. Our most realistic simulations to date have actual reconstructedmore » equilibria from experiments and a model for dilution by impurity and beam ions. These simulations highlight the need for still more physics to be included in the simulations« less

Using contemporary liquid chromatography theory and technology to improve capillary gradient ion-exchange separations.

PubMed

Wouters, Bert; Broeckhoven, Ken; Wouters, Sam; Bruggink, Cees; Agroskin, Yury; Pohl, Christopher A; Eeltink, Sebastiaan

2014-11-28

The gradient-performance limits of capillary ion chromatography have been assessed at maximum system pressure (34.5 MPa) using capillary columns packed with 4.1 μm macroporous anion-exchange particles coated with 65 nm positively-charged nanobeads. In analogy to the van-Deemter curve, the gradient performance was assessed applying different flow rates, while decreasing the gradient time inversely proportional to the increase in flow rate in order to maintain the same retention properties. The gradient kinetic-performance limits were determined at maximum system pressure, applying tG/t0=5, 10, and 20. In addition, the effect of retention on peak width was assessed in gradient mode for mono-, di-, and trivalent inorganic anions. The peak width of late-eluting ions can be significantly reduced by using concave gradient, resulting in better detection sensitivity. A signal enhancement factor of 8 was measured for a late-eluting ion when applying a concave instead of a linear gradient. For the analysis of a complex anion mixture, a coupled column with a total length of 1.05 m was operated at the kinetic-performance limit applying a linear 250 min gradient (tG/t0=10). The peak capacity varied between 200 and 380 depending on analyte retention, and hence on charge and size of the ion. Copyright © 2014 Elsevier B.V. All rights reserved.

Evidence of a New Instability in Gyrokinetic Simulations of LAPD Plasmas

NASA Astrophysics Data System (ADS)

Terry, P. W.; Pueschel, M. J.; Rossi, G.; Jenko, F.; Told, D.; Carter, T. A.

2015-11-01

Recent experiments at the LArge Plasma Device (LAPD) have focused on structure formation driven by density and temperature gradients. A central difference relative to typical, tokamak-like plasmas stems from the linear geometry and absence of background magnetic shear. At sufficiently high β, strong excitation of parallel (compressional) magnetic fluctuations was observed. Here, linear and nonlinear simulations with the Gene code are used to demonstrate that these findings can be explained through the linear excitation of a Gradient-driven Drift Coupling mode (GDC). This recently-discovered instability, unlike other drift waves, relies on the grad-B drift due to parallel magnetic fluctuations in lieu of a parallel electron response, and can be driven by density or temperature gradients. The linear properties of the GDC for LAPD parameters are studied in detail, and the corresponding turbulence is investigated. It is found that, despite the very large collisionality in the experiment, many properties are recovered fairly well in the simulations. In addition to confirming the existence of the GDC, this opens up interesting questions regarding GDC activity in astrophysical and space plasmas. Supported by USDOE.

Demonstration of a quantum error detection code using a square lattice of four superconducting qubits

PubMed Central

Córcoles, A.D.; Magesan, Easwar; Srinivasan, Srikanth J.; Cross, Andrew W.; Steffen, M.; Gambetta, Jay M.; Chow, Jerry M.

2015-01-01

The ability to detect and deal with errors when manipulating quantum systems is a fundamental requirement for fault-tolerant quantum computing. Unlike classical bits that are subject to only digital bit-flip errors, quantum bits are susceptible to a much larger spectrum of errors, for which any complete quantum error-correcting code must account. Whilst classical bit-flip detection can be realized via a linear array of qubits, a general fault-tolerant quantum error-correcting code requires extending into a higher-dimensional lattice. Here we present a quantum error detection protocol on a two-by-two planar lattice of superconducting qubits. The protocol detects an arbitrary quantum error on an encoded two-qubit entangled state via quantum non-demolition parity measurements on another pair of error syndrome qubits. This result represents a building block towards larger lattices amenable to fault-tolerant quantum error correction architectures such as the surface code. PMID:25923200

Demonstration of a quantum error detection code using a square lattice of four superconducting qubits.

PubMed

Córcoles, A D; Magesan, Easwar; Srinivasan, Srikanth J; Cross, Andrew W; Steffen, M; Gambetta, Jay M; Chow, Jerry M

2015-04-29

The ability to detect and deal with errors when manipulating quantum systems is a fundamental requirement for fault-tolerant quantum computing. Unlike classical bits that are subject to only digital bit-flip errors, quantum bits are susceptible to a much larger spectrum of errors, for which any complete quantum error-correcting code must account. Whilst classical bit-flip detection can be realized via a linear array of qubits, a general fault-tolerant quantum error-correcting code requires extending into a higher-dimensional lattice. Here we present a quantum error detection protocol on a two-by-two planar lattice of superconducting qubits. The protocol detects an arbitrary quantum error on an encoded two-qubit entangled state via quantum non-demolition parity measurements on another pair of error syndrome qubits. This result represents a building block towards larger lattices amenable to fault-tolerant quantum error correction architectures such as the surface code.

Image-based gradient non-linearity characterization to determine higher-order spherical harmonic coefficients for improved spatial position accuracy in magnetic resonance imaging.

PubMed

Weavers, Paul T; Tao, Shengzhen; Trzasko, Joshua D; Shu, Yunhong; Tryggestad, Erik J; Gunter, Jeffrey L; McGee, Kiaran P; Litwiller, Daniel V; Hwang, Ken-Pin; Bernstein, Matt A

2017-05-01

Spatial position accuracy in magnetic resonance imaging (MRI) is an important concern for a variety of applications, including radiation therapy planning, surgical planning, and longitudinal studies of morphologic changes to study neurodegenerative diseases. Spatial accuracy is strongly influenced by gradient linearity. This work presents a method for characterizing the gradient non-linearity fields on a per-system basis, and using this information to provide improved and higher-order (9th vs. 5th) spherical harmonic coefficients for better spatial accuracy in MRI. A large fiducial phantom containing 5229 water-filled spheres in a grid pattern is scanned with the MR system, and the positions all the fiducials are measured and compared to the corresponding ground truth fiducial positions as reported from a computed tomography (CT) scan of the object. Systematic errors from off-resonance (i.e., B0) effects are minimized with the use of increased receiver bandwidth (±125kHz) and two acquisitions with reversed readout gradient polarity. The spherical harmonic coefficients are estimated using an iterative process, and can be subsequently used to correct for gradient non-linearity. Test-retest stability was assessed with five repeated measurements on a single scanner, and cross-scanner variation on four different, identically-configured 3T wide-bore systems. A decrease in the root-mean-square error (RMSE) over a 50cm diameter spherical volume from 1.80mm to 0.77mm is reported here in the case of replacing the vendor's standard 5th order spherical harmonic coefficients with custom fitted 9th order coefficients, and from 1.5mm to 1mm by extending custom fitted 5th order correction to the 9th order. Minimum RMSE varied between scanners, but was stable with repeated measurements in the same scanner. The results suggest that the proposed methods may be used on a per-system basis to more accurately calibrate MR gradient non-linearity coefficients when compared to vendor standard corrections. Copyright © 2016 Elsevier Inc. All rights reserved.

Limitations of quasilinear transport theory

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

Balescu, R.

1992-01-01

The anomalous fluxes are evaluated in the simplest possible geometric situation: drift waves in a shearless slab geometry, in the presence of density and temperature gradients. It is shown that, within the strict quasilinear framework, the linear transport equations relating the fluxes to the thermodynamic forces have serious limitations. Such a linear relation does not even exist for the ion energy flux. For all the fluxes, the first correction'' has a singularity whose location depends on the relative value of the density gradient and of the ion temperature gradient: its existence seriously restricts the domain of validity of the quasilinearmore » transport theory. The semiempirical quasilinear'' formulas used in the comparisons with experiments are also discussed.« less

High-Beta Electromagnetic Turbulence in LAPD Plasmas

NASA Astrophysics Data System (ADS)

Rossi, G.; Carter, T. A.; Pueschel, M. J.; Jenko, F.; Told, D.; Terry, P. W.

2015-11-01

The introduction of a new LaB6 cathode plasma source in the Large Plasma Device has enabled the study of pressure-gradient-driven turbulence and transport variations at significantly higher plasma β. Density fluctuations are observed to decrease with increasing β while magnetic fluctuations increase. Furthermore, the perpendicular magnetic fluctuations are seen to saturate while parallel (compressional) magnetic fluctuations increase continuously with β. These observations are compared to linear and nonlinear simulations with the GENE code. The results are consistent with the linear excitation of a Gradient-driven Drift Coupling mode (GDC) which relies on grad-B drift due to parallel magnetic fluctuations and can be driven by density or temperature gradients.

Computation of Turbulent Wake Flows in Variable Pressure Gradient

NASA Technical Reports Server (NTRS)

Duquesne, N.; Carlson, J. R.; Rumsey, C. L.; Gatski, T. B.

1999-01-01

Transport aircraft performance is strongly influenced by the effectiveness of high-lift systems. Developing wakes generated by the airfoil elements are subjected to strong pressure gradients and can thicken very rapidly, limiting maximum lift. This paper focuses on the effects of various pressure gradients on developing symmetric wakes and on the ability of a linear eddy viscosity model and a non-linear explicit algebraic stress model to accurately predict their downstream evolution. In order to reduce the uncertainties arising from numerical issues when assessing the performance of turbulence models, three different numerical codes with the same turbulence models are used. Results are compared to available experimental data to assess the accuracy of the computational results.

Experimental study of stochastic noise propagation in SPECT images reconstructed using the conjugate gradient algorithm.

PubMed

Mariano-Goulart, D; Fourcade, M; Bernon, J L; Rossi, M; Zanca, M

2003-01-01

Thanks to an experimental study based on simulated and physical phantoms, the propagation of the stochastic noise in slices reconstructed using the conjugate gradient algorithm has been analysed versus iterations. After a first increase corresponding to the reconstruction of the signal, the noise stabilises before increasing linearly with iterations. The level of the plateau as well as the slope of the subsequent linear increase depends on the noise in the projection data.

a Predator-Prey Model Based on the Fully Parallel Cellular Automata

NASA Astrophysics Data System (ADS)

He, Mingfeng; Ruan, Hongbo; Yu, Changliang

We presented a predator-prey lattice model containing moveable wolves and sheep, which are characterized by Penna double bit strings. Sexual reproduction and child-care strategies are considered. To implement this model in an efficient way, we build a fully parallel Cellular Automata based on a new definition of the neighborhood. We show the roles played by the initial densities of the populations, the mutation rate and the linear size of the lattice in the evolution of this model.

Nonlinearity in the High-Electric-Field Piezoelectricity of Epitaxial BiFeO3 on SrTiO3

DTIC Science & Technology

2012-02-10

Nonlinearity in the high- electric -field piezoelectricity of epitaxial BiFeO3 on SrTiO3 Pice Chen,1 Rebecca J. Sichel-Tissot,1,a) Ji Young Jo,1,b...field linear response in electric fields higher than 150 MV/m. Time-resolved synchrotron x-ray microdiffraction reveals a low-field piezoelectric...decreases throughout the high- electric -field regime, accompanied by increased diffuse scattering, consistent with lattice softening lattice near a field

A first-principles investigation on the effects of magnetism on the Bain transformation of α-phase FeNi systems

NASA Astrophysics Data System (ADS)

Rahman, Gul; Gee Kim, In; Bhadeshia, H. K. D. H.

2012-03-01

The effects of magnetism on the Bain transformation of α-phase FeNi systems are investigated by using the full potential linearized augmented plane wave method based on the generalized gradient approximation. We found that Ni impurity in bcc Fe increases the lattice constant in the ferromagnetic (FM) states, but not in the nonmagnetic (NM) states. The shear modulus, G, and Young's modulus, E, of bcc Fe are also increased by raising the concentration of nickel. All the compositions considered show high shear anisotropy, and the ratio of the bulk to shear modulus is greater than 1.75, implying ductility. The mean sound velocities in the [100] directions are greater than in the [110] directions. The Bain transformation, which is a component of martensitic transformation, has also been studied to reveal that NixFe1-x alloys are elastically unstable in the NM states, but not so in the FM states. The electronic structures explain these results in terms of the density of states at the Fermi level. It is evident that magnetism cannot be neglected when dealing with the Bain transformation in iron and its alloys.

Magnon-phonon interconversion in a dynamically reconfigurable magnetic material

NASA Astrophysics Data System (ADS)

Guerreiro, Sergio C.; Rezende, Sergio M.

2015-12-01

The ferrimagnetic insulator yttrium iron garnet (YIG) is an important material in the field of magnon spintronics, mainly because of its low magnetic losses. YIG also has very low acoustic losses, and for this reason the conversion of a state of magnetic excitation (magnons) into a state of lattice vibration (phonons), or vice versa, broadens its possible applications in spintronics. Since the magnetic parameters can be varied by some external action, the magnon-phonon interconversion can be tuned to perform a desired function. We present a quantum theory of the interaction between magnons and phonons in a ferromagnetic material subject to a dynamic variation of the applied magnetic field. It is shown that when the field gradient at the magnetoelastic crossover region is much smaller than a critical value, an initial elastic excitation can be completely converted into a magnetic excitation, or vice versa. This occurs with conservation of linear momentum and spin angular momentum, implying that phonons created by the conversion of magnons have spin angular momentum and carry spin current. It is shown further that if the system is initially in a quantum coherent state, its coherence properties are maintained regardless of the time dependence of the field.

Electronic, ductile, phase transition and mechanical properties of Lu-monopnictides under high pressures.

PubMed

Gupta, Dinesh C; Bhat, Idris Hamid

2013-12-01

The structural, elastic and electronic properties of lutatium-pnictides (LuN, LuP, LuAs, LuSb, and LuBi) were analyzed by using full-potential linearized augmented plane wave within generalized gradient approximation in the stable rock-salt structure (B1 phase) with space group Fm-3m and high-pressure CsCl structure (B2 phase) with space group Pm-3m. Hubbard-U and spin-orbit coupling were included to predict correctly the semiconducting band gap of LuN. Under compression, these materials undergo first-order structural transitions from B1 to B2 phases at 241, 98, 56.82, 25.2 and 32.3 GPa, respectively. The computed elastic properties show that LuBi is ductile by nature. The electronic structure calculations show that LuN is semiconductor at ambient conditions with an indirect band gap of 1.55 eV while other Lu-pnictides are metallic. It was observed that LuN shows metallization at high pressures. The structural properties, viz, equilibrium lattice constant, bulk modulus and its pressure derivative, transition pressure, equation of state, volume collapse, band gap and elastic moduli, show good agreement with available data.

The structural, electronic and dynamic properties of the L1{sub 2}- type Co{sub 3}Ti alloy

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

Arikan, Nihat; Özduran, Mustafa

2014-10-06

The structural, electronic and dynamic properties of the cubic Co{sub 3}Ti alloy in L1{sub 2} structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed by Perdew–Burke–Ernzerhof (GGA-PBE). The structural properties, including the lattice constant, the bulk modulus and its pressure derivative agree reasonably with the previous results. The density of state (DOS), projected density of state (PDOS) and electronic band structure are also reported. The DOS shows that Co{sub 3}Ti alloy has a metallic character since the energy bands cross the Fermi level. The density of states at Fermi level mainly comesmore » from the Co-3d states. Phonon dispersion curves and their corresponding total densities of states were obtained using a linear response in the framework of the density functional perturbation theory. All computed phonon frequencies are no imaginer and thus, Co{sub 3}Ti alloy is dynamically stable. The zone center phonon modes have been founded to be 9.307, 9.626 and 13.891 THz for Co{sub 3}Ti.« less

Improved alternating gradient transport and focusing of neutral molecules

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

Kalnins, Juris; Lambertson, Glen; Gould, Harvey

2001-12-02

Polar molecules, in strong-field seeking states, can be transported and focused by an alternating sequence of electric field gradients that focus in one transverse direction while defocusing in the other. We show by calculation and numerical simulation, how one may greatly improve the alternating gradient transport and focusing of molecules. We use a new optimized multipole lens design, a FODO lattice beam transport line, and lenses to match the beam transport line to the beam source and the final focus. We derive analytic expressions for the potentials, fields, and gradients that may be used to design these lenses. We describemore » a simple lens optimization procedure and derive the equations of motion for tracking molecules through a beam transport line. As an example, we model a straight beamline that transports a 560 m/s jet-source beam of methyl fluoride molecules 15 m from its source and focuses it to 2 mm diameter. We calculate the beam transport line acceptance and transmission, for a beam with velocity spread, and estimate the transmitted intensity for specified source conditions. Possible applications are discussed.« less

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.

Mobius domain-wall fermions on gradient-flowed dynamical HISQ ensembles

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

Berkowitz, Evan; Bouchard, Chris; Chang, Chia Cheng

Here, we report on salient features of a mixed lattice QCD action using valence M\\"{o}bius domain-wall fermions solved on the dynamicalmore » $$N_f=2+1+1$$ HISQ ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of the valence fermions are shown to be significantly improved by utilizing the gradient-flow scheme to first smear the HISQ configurations. The greater numerical cost of the M\\"{o}bius domain-wall inversions is mitigated by the highly efficient QUDA library optimized for NVIDIA GPU accelerated compute nodes. We have created an interface to this optimized QUDA solver in Chroma. We provide tuned parameters of the action and performance of QUDA using ensembles with the lattice spacings $$a \\simeq \\{0.15, 0.12, 0.09\\}$$ fm and pion masses $$m_\\pi \\simeq \\{310, 220,130\\}$$ MeV. We have additionally generated two new ensembles with $$a\\sim0.12$$ fm and $$m_\\pi\\sim\\{400, 350\\}$$ MeV. With a fixed flow-time of $$t_{gf}=1$$ in lattice units, the residual chiral symmetry breaking of the valence fermions is kept below 10\\% of the light quark mass on all ensembles, $$m_{res} \\lesssim 0.1\\times m_l$$, with moderate values of the fifth dimension $$L_5$$ and a domain-wall height $$M_5 \\leq 1.3$$. As a benchmark calculation, we perform a continuum, infinite volume, physical pion and kaon mass extrapolation of $$F_{K^\\pm}/F_{\\pi^\\pm}$$ and demonstrate our results are independent of flow-time, and consistent with the FLAG determination of this quantity at the level of less than one standard deviation.« less

Mobius domain-wall fermions on gradient-flowed dynamical HISQ ensembles

DOE PAGES

Berkowitz, Evan; Bouchard, Chris; Chang, Chia Cheng; ...

2017-09-25

Here, we report on salient features of a mixed lattice QCD action using valence M\\"{o}bius domain-wall fermions solved on the dynamicalmore » $$N_f=2+1+1$$ HISQ ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of the valence fermions are shown to be significantly improved by utilizing the gradient-flow scheme to first smear the HISQ configurations. The greater numerical cost of the M\\"{o}bius domain-wall inversions is mitigated by the highly efficient QUDA library optimized for NVIDIA GPU accelerated compute nodes. We have created an interface to this optimized QUDA solver in Chroma. We provide tuned parameters of the action and performance of QUDA using ensembles with the lattice spacings $$a \\simeq \\{0.15, 0.12, 0.09\\}$$ fm and pion masses $$m_\\pi \\simeq \\{310, 220,130\\}$$ MeV. We have additionally generated two new ensembles with $$a\\sim0.12$$ fm and $$m_\\pi\\sim\\{400, 350\\}$$ MeV. With a fixed flow-time of $$t_{gf}=1$$ in lattice units, the residual chiral symmetry breaking of the valence fermions is kept below 10\\% of the light quark mass on all ensembles, $$m_{res} \\lesssim 0.1\\times m_l$$, with moderate values of the fifth dimension $$L_5$$ and a domain-wall height $$M_5 \\leq 1.3$$. As a benchmark calculation, we perform a continuum, infinite volume, physical pion and kaon mass extrapolation of $$F_{K^\\pm}/F_{\\pi^\\pm}$$ and demonstrate our results are independent of flow-time, and consistent with the FLAG determination of this quantity at the level of less than one standard deviation.« less

GRAIL Spots Gravity Anomaly

NASA Image and Video Library

2012-12-05

A 300-mile-long linear gravity anomaly on the far side of the moon has been revealed by gravity gradients measured by NASA GRAIL mission. GRAIL data are shown on the left, with red and blue corresponding to stronger gravity gradients.

High-order accurate finite-volume formulations for the pressure gradient force in layered ocean models

NASA Astrophysics Data System (ADS)

Engwirda, Darren; Kelley, Maxwell; Marshall, John

2017-08-01

Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates and/or terrain-following representations.

Gyrokinetic GDC turbulence simulations: confirming a new instability regime in LAPD plasmas

NASA Astrophysics Data System (ADS)

Pueschel, M. J.; Rossi, G.; Told, D.; Terry, P. W.; Jenko, F.; Carter, T. A.

2016-10-01

Recent high-beta experiments at the LArge Plasma Device have found significant parallel magnetic fluctuations in the region of large pressure gradients. Linear gyrokinetic simulations show the dominant instability at these radii to be the gradient-driven drift coupling (GDC) mode, a non-textbook mode driven by pressure gradients and destabilized by the coupling of ExB and grad-B∥ drifts. Unlike in previous studies, the large parallel extent of the device allows for finite-kz versions of this instability in addition to kz = 0 . The locations of maximum linear growth match very well with experimentally observed peaks of B∥ fluctuations. Local nonlinear simulations reproduce many features of the observations fairly well, with the exception of Bperp fluctuations, for which experimental profiles suggest a source unrelated to pressure gradients. In toto, the results presented here show that turbulence and transport in these experiments are driven by the GDC instability, that important characteristics of the linear instability carry over to nonlinear simulations, and - in the context of validation - that the gyrokinetic framework performs surprisingly well far outside its typical area of application, increasing confidence in its predictive abilities. Supported by U.S. DOE.

Gradient optimization and nonlinear control

NASA Technical Reports Server (NTRS)

Hasdorff, L.

1976-01-01

The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.

Adaptive two-regime method: Application to front propagation

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

Robinson, Martin, E-mail: martin.robinson@maths.ox.ac.uk; Erban, Radek, E-mail: erban@maths.ox.ac.uk; Flegg, Mark, E-mail: mark.flegg@monash.edu

2014-03-28

The Adaptive Two-Regime Method (ATRM) is developed for hybrid (multiscale) stochastic simulation of reaction-diffusion problems. It efficiently couples detailed Brownian dynamics simulations with coarser lattice-based models. The ATRM is a generalization of the previously developed Two-Regime Method [Flegg et al., J. R. Soc., Interface 9, 859 (2012)] to multiscale problems which require a dynamic selection of regions where detailed Brownian dynamics simulation is used. Typical applications include a front propagation or spatio-temporal oscillations. In this paper, the ATRM is used for an in-depth study of front propagation in a stochastic reaction-diffusion system which has its mean-field model given in termsmore » of the Fisher equation [R. Fisher, Ann. Eugen. 7, 355 (1937)]. It exhibits a travelling reaction front which is sensitive to stochastic fluctuations at the leading edge of the wavefront. Previous studies into stochastic effects on the Fisher wave propagation speed have focused on lattice-based models, but there has been limited progress using off-lattice (Brownian dynamics) models, which suffer due to their high computational cost, particularly at the high molecular numbers that are necessary to approach the Fisher mean-field model. By modelling only the wavefront itself with the off-lattice model, it is shown that the ATRM leads to the same Fisher wave results as purely off-lattice models, but at a fraction of the computational cost. The error analysis of the ATRM is also presented for a morphogen gradient model.« less

Setting the scale for the CLS 2 + 1 flavor ensembles

DOE PAGES

Bruno, Mattia; Korzec, Tomasz; Schaefer, Stefan

2017-04-12

Here, we present measurements of a combination of the decay constants of the light pseudoscalar mesons and the gradient flow scale t 0 , which allow us to set the scale of the lattices generated by CLS with 2 + 1 flavors of nonperturbatively improved Wilson fermions. Furthermore, we correct for mistunings of the quark masses by measuring the derivatives of observables with respect to the bare quark masses.

Interaction Among Inhomogeneities.

DTIC Science & Technology

1980-12-01

imposed to eigenstrain distribu- tions throughout the inclusion and to the anisotropy of elastic media for matrices. -2- When eigenstrains are of a...introduce any stress field. It is called an impotent inclusion. Such an inclusion exists when an eigenstrain is a gradient of a function which vanishes...Appl. Mech. 44, 591-594 (1977). T. Mura, " Eigenstrains in Lattice Theory," Continuum Models in Discrete Systems, Proc. 2nd Int. Conf., Mont Gabriel

Sb and N Incorporation Interplay in GaAsSbN/GaAs Epilayers near Lattice-Matching Condition for 1.0-1.16-eV Photonic Applications

NASA Astrophysics Data System (ADS)

Braza, V.; Reyes, D. F.; Gonzalo, A.; Utrilla, A. D.; Ben, T.; Ulloa, J. M.; González, D.

2017-05-01

As promising candidates for solar cell and photodetection applications in the range 1.0-1.16 eV, the growth of dilute nitride GaAsSbN alloys lattice matched to GaAs is studied. With this aim, we have taken advantage of the temperature gradient in the molecular beam epitaxy reactor to analyse the impact of temperature on the incorporation of Sb and N species according to the wafer radial composition gradients. The results from the combination of X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopies (EDS) show an opposite rate of incorporation between N and Sb as we move away from the centre of the wafer. A competitive behaviour between Sb and N in order to occupy the group-V position is observed that depends on the growth rate and the substrate temperature. The optical properties obtained by photoluminescence are discussed in the frame of the double-band anticrossing model. The growth conditions define two sets of different parameters for the energy level and the coupling interaction potential of N, which must be taken into account in the search for the optimum compositions 1-1.15-eV photonic applications.

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

Huamg, C. W., E-mail: huang.zw@nsrrc.org.tw; Hwang, C. S., E-mail: cshwang@nsrrc.org.tw; Department of Electrophysics, National Chiao Tung University, Hsinchu 300, Taiwan

The Taiwan Photon Source (TPS) has been successfully commissioned. However, the minimum emittance in the TPS lattice is 1.6 nm rad. In the existing TPS storage ring lattice, it is imperative to reduce the emittance to below 1 nm rad. Therefore, a feasibility study for reducing the effective emittance of the TPS storage ring by using a Robinson wiggler was launched; the reduction is necessary to enhance the photon brilliance. In this study, a permanent-magnet multiperiod Robinson wiggler (MRW) was developed for use instead of the single-period Robinson wiggler. In general, the quadruple field of a combined function magnet inmore » the storage ring is approximately few tesla per meter. According to beam dynamic analysis, we found that it is necessary to adopt a high gradient (40 T/m) combined-function MRW magnet to reduce the emittance effectively. Therefore, a high gradient field strength is required in the combined function MRW magnet. In this study, the quadrupole field strength of the MRW magnet was allowed to be approximately 40 T/m at a magnet gap of 20 mm. The period length of the MRW magnet was 300 mm and the period number was 16. The of MRWs is discussed in regard to the possibility of increasing the photon brilliance from IU22.« less

Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

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

Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.

A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN + r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies andmore » lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.« less

Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

DOE PAGES

Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.; ...

2016-10-12

A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN + r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies andmore » lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.« less

Influence of smooth temperature variation on hotspot ignition

DOE PAGES

Reinbacher, Fynn; Regele, Jonathan David

2017-10-06

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H 2–airmore » reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. Furthermore, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.« less

Influence of smooth temperature variation on hotspot ignition

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

Reinbacher, Fynn; Regele, Jonathan David

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H 2–airmore » reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. Furthermore, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.« less

Avalanches, loading and finite size effects in 2D amorphous plasticity: results from a finite element model

NASA Astrophysics Data System (ADS)

Sandfeld, Stefan; Budrikis, Zoe; Zapperi, Stefano; Fernandez Castellanos, David

2015-02-01

Crystalline plasticity is strongly interlinked with dislocation mechanics and nowadays is relatively well understood. Concepts and physical models of plastic deformation in amorphous materials on the other hand—where the concept of linear lattice defects is not applicable—still are lagging behind. We introduce an eigenstrain-based finite element lattice model for simulations of shear band formation and strain avalanches. Our model allows us to study the influence of surfaces and finite size effects on the statistics of avalanches. We find that even with relatively complex loading conditions and open boundary conditions, critical exponents describing avalanche statistics are unchanged, which validates the use of simpler scalar lattice-based models to study these phenomena.

Development of a new lattice physics code robin for PWR application

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

Zhang, S.; Chen, G.

2013-07-01

This paper presents a description of methodologies and preliminary verification results of a new lattice physics code ROBIN, being developed for PWR application at Shanghai NuStar Nuclear Power Technology Co., Ltd. The methods used in ROBIN to fulfill various tasks of lattice physics analysis are an integration of historical methods and new methods that came into being very recently. Not only these methods like equivalence theory for resonance treatment and method of characteristics for neutron transport calculation are adopted, as they are applied in many of today's production-level LWR lattice codes, but also very useful new methods like the enhancedmore » neutron current method for Dancoff correction in large and complicated geometry and the log linear rate constant power depletion method for Gd-bearing fuel are implemented in the code. A small sample of verification results are provided to illustrate the type of accuracy achievable using ROBIN. It is demonstrated that ROBIN is capable of satisfying most of the needs for PWR lattice analysis and has the potential to become a production quality code in the future. (authors)« less

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

Convergence and contrast in the community structure of Bacteria, Fungi and Archaea along a tropical elevation-climate gradient.

PubMed

Peay, Kabir G; von Sperber, Christian; Cardarelli, Emily; Toju, Hirokazu; Francis, Christopher A; Chadwick, Oliver A; Vitousek, Peter M

2017-05-01

Changes in species richness along climatological gradients have been instrumental in developing theories about the general drivers of biodiversity. Previous studies on microbial communities along climate gradients on mountainsides have revealed positive, negative and neutral richness trends. We examined changes in richness and composition of Fungi, Bacteria and Archaea in soil along a 50-1000 m elevation, 280-3280 mm/yr precipitation gradient in Hawai'i. Soil properties and their drivers are exceptionally well understood along this gradient. All three microbial groups responded strongly to the gradient, with community ordinations being similar along axes of environmental conditions (pH, rainfall) and resource availability (nitrogen, phosphorus). However, the form of the richness-climate relationship varied between Fungi (positive linear), Bacteria (unimodal) and Archaea (negative linear). These differences were related to resource-ecology and limiting conditions for each group, with fungal richness increasing most strongly with soil carbon, ammonia-oxidizing Archaea increasing with nitrogen mineralization rate, and Bacteria increasing with both carbon and pH. Reponses to the gradient became increasingly variable at finer taxonomic scales and within any taxonomic group most individual OTUs occurred in narrow climate-elevation ranges. These results show that microbial responses to climate gradients are heterogeneous due to complexity of underlying environmental changes and the diverse ecologies of microbial taxa. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Jamming and percolation in random sequential adsorption of straight rigid rods on a two-dimensional triangular lattice

NASA Astrophysics Data System (ADS)

Perino, E. J.; Matoz-Fernandez, D. A.; Pasinetti, P. M.; Ramirez-Pastor, A. J.

2017-07-01

Monte Carlo simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of linear k-mers (also known as rods or needles) on a two-dimensional triangular lattice of linear dimension L, considering an isotropic RSA process and periodic boundary conditions. Extensive numerical work has been done to extend previous studies to larger system sizes and longer k-mers, which enables the confirmation of a nonmonotonic size dependence of the percolation threshold and the estimation of a maximum value of k from which percolation would no longer occur. Finally, a complete analysis of critical exponents and universality has been done, showing that the percolation phase transition involved in the system is not affected, having the same universality class of the ordinary random percolation.

A linear lattice model for polyglutamine in CAG-expansion diseases.

PubMed

Bennett, Melanie J; Huey-Tubman, Kathryn E; Herr, Andrew B; West, Anthony P; Ross, Scott A; Bjorkman, Pamela J

2002-09-03

Huntington's disease and several other neurological diseases are caused by expanded polyglutamine [poly(Gln)] tracts in different proteins. Mechanisms for expanded (>36 Gln residues) poly(Gln) toxicity include the formation of aggregates that recruit and sequester essential cellular proteins [Preisinger, E., Jordan, B. M., Kazantsev, A. & Housman, D. (1999) Phil. Trans. R. Soc. London B 354, 1029-1034; Chen, S., Berthelier, V., Yang, W. & Wetzel, R. (2001) J. Mol. Biol. 311, 173-182] and functional alterations, such as improper interactions with other proteins [Cummings, C. J. & Zoghbi, H. Y. (2000) Hum. Mol. Genet. 9, 909-916]. Expansion above the "pathologic threshold" ( approximately 36 Gln) has been proposed to induce a conformational transition in poly(Gln) tracts, which has been suggested as a target for therapeutic intervention. Here we show that structural analyses of soluble huntingtin exon 1 fusion proteins with 16 to 46 glutamine residues reveal extended structures with random coil characteristics and no evidence for a global conformational change above 36 glutamines. An antibody (MW1) Fab fragment, which recognizes full-length huntingtin in mouse brain sections, binds specifically to exon 1 constructs containing normal and expanded poly(Gln) tracts, with affinity and stoichiometry that increase with poly(Gln) length. These data support a "linear lattice" model for poly(Gln), in which expanded poly(Gln) tracts have an increased number of ligand-binding sites as compared with normal poly(Gln). The linear lattice model provides a rationale for pathogenicity of expanded poly(Gln) tracts and a structural framework for drug design.

Lattice modeling and application of independent component analysis to high power, long bunch beams in the Los Alamos Proton Storage Ring

NASA Astrophysics Data System (ADS)

Kolski, Jeffrey

The linear lattice properties of the Proton Storage Ring (PSR) at the Los Alamos Neutron Science Center (LANSCE) in Los Alamos, NM were measured and applied to determine a better linear accelerator model. We found that the initial model was deficient in predicting the vertical focusing strength. The additional vertical focusing was located through fundamental understanding of experiment and statistically rigorous analysis. An improved model was constructed and compared against the initial model and measurement at operation set points and set points far away from nominal and was shown to indeed be an enhanced model. Independent component analysis (ICA) is a tool for data mining in many fields of science. Traditionally, ICA is applied to turn-by-turn beam position data as a means to measure the lattice functions of the real machine. Due to the diagnostic setup for the PSR, this method is not applicable. A new application method for ICA is derived, ICA applied along the length of the bunch. The ICA modes represent motions within the beam pulse. Several of the dominate ICA modes are experimentally identified.

Properties of one-dimensional anharmonic lattice solitons

NASA Astrophysics Data System (ADS)

Szeftel, Jacob; Laurent-Gengoux, Pascal; Ilisca, Ernest; Hebbache, Mohamed

2000-12-01

The existence of bell- and kink-shaped solitons moving at constant velocity while keeping a permanent profile is studied in infinite periodic monoatomic chains of arbitrary anharmonicity by taking advantage of the equation of motion being integrable with respect to solitons. A second-order, non-linear differential equation involving advanced and retarded terms must be solved, which is done by implementing a scheme based on the finite element and Newton's methods. If the potential has a harmonic limit, the asymptotic time-decay behaves exponentially and there is a dispersion relation between propagation velocity and decay time. Inversely if the potential has no harmonic limit, the asymptotic regime shows up either as a power-law or faster than exponential. Excellent agreement is achieved with Toda's model. Illustrative examples are also given for the Fermi-Pasta-Ulam and sine-Gordon potentials. Owing to integrability an effective one-body potential is worked out in each case. Lattice and continuum solitons differ markedly from one another as regards the amplitude versus propagation velocity relationship and the asymptotic time behavior. The relevance of the linear stability analysis when applied to solitons propagating in an infinite crystal is questioned. The reasons preventing solitons from arising in a diatomic lattice are discussed.

Nuclear DNA contents of Echinchloa crus-galli and its Gaussian relationships with environments

NASA Astrophysics Data System (ADS)

Li, Dan-Dan; Lu, Yong-Liang; Guo, Shui-Liang; Yin, Li-Ping; Zhou, Ping; Lou, Yu-Xia

2017-02-01

Previous studies on plant nuclear DNA content variation and its relationships with environmental gradients produced conflicting results. We speculated that the relationships between nuclear DNA content of a widely-distributed species and its environmental gradients might be non-linear if it was sampled in a large geographical gradient. Echinochloa crus-galli (L.) P. Beauv. is a worldwide species, but without documents on its intraspecific variation of nuclear DNA content. Our objectives are: 1) to detect intraspecific variation scope of E. crus-galli in its nuclear DNA content, and 2) to testify whether nuclear DNA content of the species changes with environmental gradients following Gaussian models if its populations were sampled in a large geographical gradient. We collected seeds of 36 Chinese populations of E. crus-galli across a wide geographical gradient, and sowed them in a homogeneous field to get their offspring to determine their nuclear DNA content. We analyzed the relationships of nuclear DNA content of these populations with latitude, longitude, and nineteen bioclimatic variables by using Gaussian and linear models. (1) Nuclear DNA content varied from 2.113 to 2.410 pg among 36 Chinese populations of E. crus-galli, with a mean value of 2.256 pg. (2) Gaussian correlations of nuclear DNA content (y) with geographical gradients were detected, with latitude (x) following y = 2.2923*e -(x - 24.9360)2/2*63.79452 (r = 0.546, P < 0.001), and with longitude (x) following y = 2.2933*e -(x - 116.1801)2/2*44.74502 (r = 0.672, P < 0.001). (3) Among the nineteen bioclimatic variables, except temperature isothermality, precipitations of the wettest month, the wettest quarter and the warmest quarter, the others could be better fit with nuclear DNA content by using Gaussian models than by linear models. There exists intra-specific variation among 36 Chinese populations of E. crus-galli, Gaussian models could be applied to fit the correlations of its Nuclear DNA content with geographical and most bioclimatic gradients.

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

Wiedemeier, Heribert, E-mail: wiedeh@rpi.ed

Correlations of computed Schottky constants (K{sub S}=[V''{sub Zn}][V{sub S}{sup ..}]) with structural and thermodynamic properties showed linear dependences of log K{sub S} on the lattice energies for the Zn-, Cd-, Hg-, Mg-, and Sr-chalcogenides and for the Na- and K-halides. These findings suggest a basic relation between the Schottky constants and the lattice energies for these families of compounds from different parts of the Periodic Table, namely, {Delta}H{sub T,L}{sup o}=-(2.303nRT log K{sub S})+2.303nRm{sub b}+2.303nRTi{sub b}. {Delta}H{sub T,L}{sup o} is the experimental (Born-Haber) lattice energy (enthalpy), n is a constant approximately equal to the formal valence (charge) of the material, m{submore » b} and i{sub b} are the slope and intercept, respectively, of the intercept b (of the log K{sub S} versus {Delta}H{sub L}{sup o} linear relation) versus the reciprocal temperature. The results of this work also provide an empirical correlation between the Gibbs free energy of vacancy formation and the lattice energy. - Graphical abstract: For the Zn-chalcogenides, the quantities n and I{sub e} are 2.007 and 650.3 kcal (2722 kJ), respectively. For the other groups of compounds, they are approximately equal to the formal valences and ionization energies of the metals: Log K{sub S{approx}}-(2.303nRT){sup -1} (0.99{Delta}H{sup o}{sub T,L}-I{sub e}).« less

Strain and stability of ultrathin Ge layers in Si/Ge/Si axial heterojunction nanowires

DOE PAGES

Ross, Frances M.; Stach, Eric A.; Wen, Cheng -Yen; ...

2015-02-05

The abrupt heterointerfaces in the Si/Ge materials system presents useful possibilities for electronic device engineering because the band structure can be affected by strain induced by the lattice mismatch. In planar layers, heterointerfaces with abrupt composition changes are difficult to realize without introducing misfit dislocations. However, in catalytically grown nanowires, abrupt heterointerfaces can be fabricated by appropriate choice of the catalyst. Here we grow nanowires containing Si/Ge and Si/Ge/Si structures respectively with sub-1nm thick Ge "quantum wells" and we measure the interfacial strain fields using geometric phase analysis. Narrow Ge layers show radial strains of several percent, with a correspondingmore » dilation in the axial direction. Si/Ge interfaces show lattice rotation and curvature of the lattice planes. We conclude that high strains can be achieved, compared to what is possible in planar layers. In addition, we study the stability of these heterostructures under heating and electron beam irradiation. The strain and composition gradients are supposed to the cause of the instability for interdiffusion.« less

A density-functional study on the electronic and vibrational properties of layered antimony telluride.

PubMed

Stoffel, Ralf P; Deringer, Volker L; Simon, Ronnie E; Hermann, Raphaël P; Dronskowski, Richard

2015-03-04

We present a comprehensive survey of electronic and lattice-dynamical properties of crystalline antimony telluride (Sb2Te3). In a first step, the electronic structure and chemical bonding have been investigated, followed by calculations of the atomic force constants, phonon dispersion relationships and densities of states. Then, (macroscopic) physical properties of Sb2Te3 have been computed, namely, the atomic thermal displacement parameters, the Grüneisen parameter γ, the volume expansion of the lattice, and finally the bulk modulus B. We compare theoretical results from three popular and economic density-functional theory (DFT) approaches: the local density approximation (LDA), the generalized gradient approximation (GGA), and a posteriori dispersion corrections to the latter. Despite its simplicity, the LDA shows excellent performance for all properties investigated-including the Grüneisen parameter, which only the LDA is able to recover with confidence. In the absence of computationally more demanding hybrid DFT methods, the LDA seems to be a good choice for further lattice dynamical studies of Sb2Te3 and related layered telluride materials.

Role of hydrodynamic interactions in dynamics of semi-flexible polyelectrolytes

NASA Astrophysics Data System (ADS)

Kekre, Rahul

Experiments have shown that DNA molecules in capillary electrophoresis migrate across field lines if a pressure gradient is applied simultaneously. We suggest that this migration results from an electrically driven flow field around the polyelectrolyte, which generates additional contributions to the center-of-mass velocity if the overall polymer conformation is asymmetric. Numerical simulations and experiments have demonstrated that confined polymers migrate towards the center of the channel in response to both external forces and uniaxial flows. Yet, migration towards the walls has been observed with combinations of external force and flow. In this work, the kinetic theory for an elastic dumbbell developed by Ma and Graham [Phys. Fluids 17, 083103 (2005)] has been extended to account for the effects of an external body force. Further modifications account for counterion screening within a Debye-Huckel approximation for the specific case of applied electric field. The theory qualitatively reproduces results of both experiments for the migration of neutral polymers and polyelectrolytes. The favorable comparison supports the contention [Long et al., Phys. Rev. Lett. 76, 3858 (1996)] that the hydrodynamic interactions in polyelectrolytes decay algebraically, as 1/r 3, rather than exponentially. A coarse-grained polymer model, without explicit charges, is developed and integrated using Brownian-dynamics simulations in analogy with the kinetic theory. The novel feature of the simulations is the inclusion of hydrodynamic interactions induced by the electric field. This model quantitatively captures experimental observations [Zheng and Yeung, Anal. Chem. 75, 3675 (2003)] of DNA migration under combined electric and pressure-driven flow fields in absence of any adjusted parameters. In addition the model predicts dependence of electrophoretic velocity on the instantaneous length of the polyelectrolyte which has been verified by experiments of Lee et. al. [Electrophoresis 31, 2813 (2010)]. The model also predicts phenomenons that are yet to be verified experimentally. These include decrease in diffusivity and increase in radius of gyration of the polyelectrolyte in high electric fields due to internal dispersion. The resulting change in orientation distribution at high electric fields decreases the extent of migration. Preliminary results from microfluidic experiments are presented in this dissertation demonstrating the saturation of migration. This dissertation also includes comparison of results from lattice-Boltzmann and Brownian dynamics simulations of a linear bead-spring model of DNA for two cases; infinite dilution and confinement. We have systematically varied the parameters that may affect the accuracy of the lattice-Boltzmann simulations, including grid resolution, temperature, polymer mass, periodic boundary size and fluid viscosity. For the case of a single chain Lattice-Boltzmann results for the diffusion coefficient and Rouse mode relaxation times were within 1--2% from those obtained from Brownian-dynamics. Results from both methods are also compared for polymer migration in confined flows driven by a uniform shear or pressure gradient. Center-of-mass distribution obtained from Lattice-Boltzmann simulations agrees quantitatively with Brownian-dynamics results, contradicting previously published results. The mobility matrix for a confined polymer was derived by applying Faxen's correction to the flow-field generated by a point force bounded by two parallel plates. This formulation of the mobility matrix is symmetric and positive-definite for all physically accessible configurations of the polymer.

Novel linear and step-gradient counter-current chromatography for bio-guided isolation and purification of cytotoxic podophyllotoxins from Dysosma versipellis (Hance).

PubMed

Yang, Zhi; Liu, Xiaoman; Wang, Kuiwu; Cao, Xiaoji; Wu, Shihua

2013-03-01

Dysosma versipellis (Hance) is a famous traditional Chinese medicine for the treatment of snakebite, weakness, condyloma accuminata, lymphadenopathy, and tumors for thousands of years. In this work, four podophyllotoxin-like lignans including 4'-demethylpodophyllotoxin (1), α-peltatin (2), podophyllotoxin (3), β-peltatin (4) as major cytotoxic principles of D. versipellis were successfully isolated and purified by several novel linear and step gradient counter-current chromatography methods using the systems of hexane/ethyl acetate/methanol/water (4:6:3:7 and 4:6:4:6, v/v/v/v). Compared with isocratic elution, linear and step-gradient elution can provide better resolution and save more time for the separation of photophyllotoxin and its congeners. Their cytotoxicities were further evaluated and their structures were validated by high-resolution electrospray TOF MS and nuclear magnetic resonance spectra. All components showed potent anticancer activity against human hepatoma cells HepG2. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Single shot trajectory design for region-specific imaging using linear and nonlinear magnetic encoding fields.

PubMed

Layton, Kelvin J; Gallichan, Daniel; Testud, Frederik; Cocosco, Chris A; Welz, Anna M; Barmet, Christoph; Pruessmann, Klaas P; Hennig, Jürgen; Zaitsev, Maxim

2013-09-01

It has recently been demonstrated that nonlinear encoding fields result in a spatially varying resolution. This work develops an automated procedure to design single-shot trajectories that create a local resolution improvement in a region of interest. The technique is based on the design of optimized local k-space trajectories and can be applied to arbitrary hardware configurations that employ any number of linear and nonlinear encoding fields. The trajectories designed in this work are tested with the currently available hardware setup consisting of three standard linear gradients and two quadrupolar encoding fields generated from a custom-built gradient insert. A field camera is used to measure the actual encoding trajectories up to third-order terms, enabling accurate reconstructions of these demanding single-shot trajectories, although the eddy current and concomitant field terms of the gradient insert have not been completely characterized. The local resolution improvement is demonstrated in phantom and in vivo experiments. Copyright © 2012 Wiley Periodicals, Inc.

Impact of a large density gradient on linear and nonlinear edge-localized mode simulations

DOE PAGES

Xi, P. W.; Xu, X. Q.; Xia, T. Y.; ...

2013-09-27

Here, the impact of a large density gradient on edge-localized modes (ELMs) is studied linearly and nonlinearly by employing both two-fluid and gyro-fluid simulations. In two-fluid simulations, the ion diamagnetic stabilization on high-n modes disappears when the large density gradient is taken into account. But gyro-fluid simulations show that the finite Larmor radius (FLR) effect can effectively stabilize high-n modes, so the ion diamagnetic effect alone is not sufficient to represent the FLR stabilizing effect. We further demonstrate that additional gyroviscous terms must be kept in the two-fluid model to recover the linear results from the gyro-fluid model. Nonlinear simulations show that the density variation significantly weakens the E × B shearing at the top of the pedestal and thus leads to more energy loss during ELMs. The turbulence spectrum after an ELM crash is measured and has the relation ofmore » $$P(k_{z})\\propto k_{z}^{-3.3}$$ .« less

Uncertainty based pressure reconstruction from velocity measurement with generalized least squares

NASA Astrophysics Data System (ADS)

Zhang, Jiacheng; Scalo, Carlo; Vlachos, Pavlos

2017-11-01

A method using generalized least squares reconstruction of instantaneous pressure field from velocity measurement and velocity uncertainty is introduced and applied to both planar and volumetric flow data. Pressure gradients are computed on a staggered grid from flow acceleration. The variance-covariance matrix of the pressure gradients is evaluated from the velocity uncertainty by approximating the pressure gradient error to a linear combination of velocity errors. An overdetermined system of linear equations which relates the pressure and the computed pressure gradients is formulated and then solved using generalized least squares with the variance-covariance matrix of the pressure gradients. By comparing the reconstructed pressure field against other methods such as solving the pressure Poisson equation, the omni-directional integration, and the ordinary least squares reconstruction, generalized least squares method is found to be more robust to the noise in velocity measurement. The improvement on pressure result becomes more remarkable when the velocity measurement becomes less accurate and more heteroscedastic. The uncertainty of the reconstructed pressure field is also quantified and compared across the different methods.

An improved silver staining procedure for schizodeme analysis in polyacrylamide gradient gels.

PubMed

Gonçalves, A M; Nehme, N S; Morel, C M

1990-01-01

A simple protocol is described for the silver staining of polyacrylamide gradient gels used for the separation of restriction fragments of kinetoplast DNA [schizodeme analysis of trypanosomatids (Morel et al., 1980)]. The method overcomes the problems of non-uniform staining and strong background color which are frequently encountered when conventional protocols for silver staining of linear gels are applied to gradient gels. The method described has proven to be of general applicability for DNA, RNA and protein separations in gradient gels.

A hybrid linear/nonlinear training algorithm for feedforward neural networks.

PubMed

McLoone, S; Brown, M D; Irwin, G; Lightbody, A

1998-01-01

This paper presents a new hybrid optimization strategy for training feedforward neural networks. The algorithm combines gradient-based optimization of nonlinear weights with singular value decomposition (SVD) computation of linear weights in one integrated routine. It is described for the multilayer perceptron (MLP) and radial basis function (RBF) networks and then extended to the local model network (LMN), a new feedforward structure in which a global nonlinear model is constructed from a set of locally valid submodels. Simulation results are presented demonstrating the superiority of the new hybrid training scheme compared to second-order gradient methods. It is particularly effective for the LMN architecture where the linear to nonlinear parameter ratio is large.

Mode instability in one-dimensional anharmonic lattices: Variational equation approach

NASA Astrophysics Data System (ADS)

Yoshimura, K.

1999-03-01

The stability of normal mode oscillations has been studied in detail under the single-mode excitation condition for the Fermi-Pasta-Ulam-β lattice. Numerical experiments indicate that the mode stability depends strongly on k/N, where k is the wave number of the initially excited mode and N is the number of degrees of freedom in the system. It has been found that this feature does not change when N increases. We propose an average variational equation - approximate version of the variational equation - as a theoretical tool to facilitate a linear stability analysis. It is shown that this strong k/N dependence of the mode stability can be explained from the view point of the linear stability of the relevant orbits. We introduce a low-dimensional approximation of the average variational equation, which approximately describes the time evolution of variations in four normal mode amplitudes. The linear stability analysis based on this four-mode approximation demonstrates that the parametric instability mechanism plays a crucial role in the strong k/N dependence of the mode stability.

Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers

PubMed Central

Cai, Qin; Hsieh, Meng-Juei; Wang, Jun; Luo, Ray

2014-01-01

We implemented and optimized seven finite-difference solvers for the full nonlinear Poisson-Boltzmann equation in biomolecular applications, including four relaxation methods, one conjugate gradient method, and two inexact Newton methods. The performance of the seven solvers was extensively evaluated with a large number of nucleic acids and proteins. Worth noting is the inexact Newton method in our analysis. We investigated the role of linear solvers in its performance by incorporating the incomplete Cholesky conjugate gradient and the geometric multigrid into its inner linear loop. We tailored and optimized both linear solvers for faster convergence rate. In addition, we explored strategies to optimize the successive over-relaxation method to reduce its convergence failures without too much sacrifice in its convergence rate. Specifically we attempted to adaptively change the relaxation parameter and to utilize the damping strategy from the inexact Newton method to improve the successive over-relaxation method. Our analysis shows that the nonlinear methods accompanied with a functional-assisted strategy, such as the conjugate gradient method and the inexact Newton method, can guarantee convergence in the tested molecules. Especially the inexact Newton method exhibits impressive performance when it is combined with highly efficient linear solvers that are tailored for its special requirement. PMID:24723843

Diffusive Public Goods and Coexistence of Cooperators and Cheaters on a 1D Lattice

PubMed Central

Scheuring, István

2014-01-01

Many populations of cells cooperate through the production of extracellular materials. These materials (enzymes, siderophores) spread by diffusion and can be applied by both the cooperator and cheater (non-producer) cells. In this paper the problem of coexistence of cooperator and cheater cells is studied on a 1D lattice where cooperator cells produce a diffusive material which is beneficial to the individuals according to the local concentration of this public good. The reproduction success of a cell increases linearly with the benefit in the first model version and increases non-linearly (saturates) in the second version. Two types of update rules are considered; either the cooperative cell stops producing material before death (death-production-birth, DpB) or it produces the common material before it is selected to die (production-death-birth, pDB). The empty space is occupied by its neighbors according to their replication rates. By using analytical and numerical methods I have shown that coexistence of the cooperator and cheater cells is possible although atypical in the linear version of this 1D model if either DpB or pDB update rule is assumed. While coexistence is impossible in the non-linear model with pDB update rule, it is one of the typical behaviors in case of the non-linear model with DpB update rule. PMID:25025985

Relation of the lunar volcano complexes lying on the identical linear gravity anomaly

NASA Astrophysics Data System (ADS)

Yamamoto, K.; Haruyama, J.; Ohtake, M.; Iwata, T.; Ishihara, Y.

2015-12-01

There are several large-scale volcanic complexes, e.g., Marius Hills, Aristarchus Plateau, Rumker Hills, and Flamsteed area in western Oceanus Procellarum of the lunar nearside. For better understanding of the lunar thermal history, it is important to study these areas intensively. The magmatisms and volcanic eruption mechanisms of these volcanic complexes have been discussed from geophysical and geochemical perspectives using data sets acquired by lunar explorers. In these data sets, precise gravity field data obtained by Gravity Recovery and Interior Laboratory (GRAIL) gives information on mass anomalies below the lunar surface, and useful to estimate location and mass of the embedded magmas. Using GRAIL data, Andrews-Hanna et al. (2014) prepared gravity gradient map of the Moon. They discussed the origin of the quasi-rectangular pattern of narrow linear gravity gradient anomalies located along the border of Oceanus Procellarum and suggested that the underlying dikes played important roles in magma plumbing system. In the gravity gradient map, we found that there are also several small linear gravity gradient anomaly patterns in the inside of the large quasi-rectangular pattern, and that one of the linear anomalies runs through multiple gravity anomalies in the vicinity of Aristarchus, Marius and Flamstead volcano complexes. Our concern is whether the volcanisms of these complexes are caused by common factors or not. To clarify this, we firstly estimated the mass and depth of the embedded magmas as well as the directions of the linear gravity anomalies. The results were interpreted by comparing with the chronological and KREEP distribution maps on the lunar surface. We suggested providing mechanisms of the magma to these regions and finally discussed whether the volcanisms of these multiple volcano complex regions are related with each other or not.

Secondary subharmonic instability of boundary layers with pressure gradient and suction

NASA Technical Reports Server (NTRS)

El-Hady, Nabil M.

1988-01-01

Three-dimensional linear secondary instability is investigated for boundary layers with pressure gradient and suction in the presence of a finite amplitude TS wave. The focus is on principal parametric resonance responsible for a strong growth of subharmonics in a low disturbance environment. Calculations are presented for the effect of pressure gradients and suction on controlling the onset and amplification of the secondary instability.

Gravity Gradient Tensor of Arbitrary 3D Polyhedral Bodies with up to Third-Order Polynomial Horizontal and Vertical Mass Contrasts

NASA Astrophysics Data System (ADS)

Ren, Zhengyong; Zhong, Yiyuan; Chen, Chaojian; Tang, Jingtian; Kalscheuer, Thomas; Maurer, Hansruedi; Li, Yang

2018-03-01

During the last 20 years, geophysicists have developed great interest in using gravity gradient tensor signals to study bodies of anomalous density in the Earth. Deriving exact solutions of the gravity gradient tensor signals has become a dominating task in exploration geophysics or geodetic fields. In this study, we developed a compact and simple framework to derive exact solutions of gravity gradient tensor measurements for polyhedral bodies, in which the density contrast is represented by a general polynomial function. The polynomial mass contrast can continuously vary in both horizontal and vertical directions. In our framework, the original three-dimensional volume integral of gravity gradient tensor signals is transformed into a set of one-dimensional line integrals along edges of the polyhedral body by sequentially invoking the volume and surface gradient (divergence) theorems. In terms of an orthogonal local coordinate system defined on these edges, exact solutions are derived for these line integrals. We successfully derived a set of unified exact solutions of gravity gradient tensors for constant, linear, quadratic and cubic polynomial orders. The exact solutions for constant and linear cases cover all previously published vertex-type exact solutions of the gravity gradient tensor for a polygonal body, though the associated algorithms may differ in numerical stability. In addition, to our best knowledge, it is the first time that exact solutions of gravity gradient tensor signals are derived for a polyhedral body with a polynomial mass contrast of order higher than one (that is quadratic and cubic orders). Three synthetic models (a prismatic body with depth-dependent density contrasts, an irregular polyhedron with linear density contrast and a tetrahedral body with horizontally and vertically varying density contrasts) are used to verify the correctness and the efficiency of our newly developed closed-form solutions. Excellent agreements are obtained between our solutions and other published exact solutions. In addition, stability tests are performed to demonstrate that our exact solutions can safely be used to detect shallow subsurface targets.

The development of computer-aided system for tissue scaffolds (CASTS) system for functionally graded tissue-engineering scaffolds.

PubMed

Sudarmadji, Novella; Chua, Chee Kai; Leong, Kah Fai

2012-01-01

Computer-aided system for tissue scaffolds (CASTS) is an in-house parametric library of polyhedral units that can be assembled into customized tissue scaffolds. Thirteen polyhedral configurations are available to select, depending on the biological and mechanical requirements of the target tissue/organ. Input parameters include the individual polyhedral units and overall scaffold block as well as the scaffold strut diameter. Taking advantage of its repeatability and reproducibility, the scaffold file is then converted into .STL file and fabricated using selective laser sintering, a rapid prototyping system. CASTS seeks to fulfill anatomical, biological, and mechanical requirements of the target tissue/organ. Customized anatomical scaffold shape is achieved through a Boolean operation between the scaffold block and the tissue defect image. Biological requirements, such as scaffold pore size and porosity, are unique for different type of cells. Matching mechanical properties, such as stiffness and strength, between the scaffold and target organ is very important, particularly in the regeneration of load-bearing organ, i.e., bone. This includes mimicking the compressive stiffness variation across the bone to prevent stress shielding and ensuring that the scaffold can withstand the load normally borne by the bone. The stiffness variation is tailored by adjusting the scaffold porosity based on the porosity-stiffness relationship of the CASTS scaffolds. Two types of functional gradients based on the gradient direction include radial and axial/linear gradient. Radial gradient is useful in the case of regenerating a section of long bones while the gradient in linear direction can be used in short or irregular bones. Stiffness gradient in the radial direction is achieved by using cylindrical unit cells arranged in a concentric manner, in which the porosity decreases from the center of the structure toward the outside radius, making the scaffold stiffer at the outer radius and more porous at the center of the scaffold. On the other hand, the linear gradient is accomplished by varying the strut diameter along the gradient direction. The parameters to vary in both gradient types are the strut diameter, the unit cell dimension, and the boundaries between two scaffold regions with different stiffness.

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.

Non-linear analysis of wave progagation using transform methods and plates and shells using integral equations

NASA Astrophysics Data System (ADS)

Pipkins, Daniel Scott

Two diverse topics of relevance in modern computational mechanics are treated. The first involves the modeling of linear and non-linear wave propagation in flexible, lattice structures. The technique used combines the Laplace Transform with the Finite Element Method (FEM). The procedure is to transform the governing differential equations and boundary conditions into the transform domain where the FEM formulation is carried out. For linear problems, the transformed differential equations can be solved exactly, hence the method is exact. As a result, each member of the lattice structure is modeled using only one element. In the non-linear problem, the method is no longer exact. The approximation introduced is a spatial discretization of the transformed non-linear terms. The non-linear terms are represented in the transform domain by making use of the complex convolution theorem. A weak formulation of the resulting transformed non-linear equations yields a set of element level matrix equations. The trial and test functions used in the weak formulation correspond to the exact solution of the linear part of the transformed governing differential equation. Numerical results are presented for both linear and non-linear systems. The linear systems modeled are longitudinal and torsional rods and Bernoulli-Euler and Timoshenko beams. For non-linear systems, a viscoelastic rod and Von Karman type beam are modeled. The second topic is the analysis of plates and shallow shells under-going finite deflections by the Field/Boundary Element Method. Numerical results are presented for two plate problems. The first is the bifurcation problem associated with a square plate having free boundaries which is loaded by four, self equilibrating corner forces. The results are compared to two existing numerical solutions of the problem which differ substantially.

Diffusion in Deterministic Interacting Lattice Systems

NASA Astrophysics Data System (ADS)

Medenjak, Marko; Klobas, Katja; Prosen, Tomaž

2017-09-01

We study reversible deterministic dynamics of classical charged particles on a lattice with hard-core interaction. It is rigorously shown that the system exhibits three types of transport phenomena, ranging from ballistic, through diffusive to insulating. By obtaining an exact expressions for the current time-autocorrelation function we are able to calculate the linear response transport coefficients, such as the diffusion constant and the Drude weight. Additionally, we calculate the long-time charge profile after an inhomogeneous quench and obtain diffusive profilewith the Green-Kubo diffusion constant. Exact analytical results are corroborated by Monte Carlo simulations.

Generalized Gilat-Raubenheimer method for density-of-states calculation in photonic crystals

NASA Astrophysics Data System (ADS)

Liu, Boyuan; Johnson, Steven G.; Joannopoulos, John D.; Lu, Ling

2018-04-01

An efficient numerical algorithm is the key for accurate evaluation of density of states (DOS) in band theory. The Gilat-Raubenheimer (GR) method proposed in 1966 is an efficient linear extrapolation method which was limited in specific lattices. Here, using an affine transformation, we provide a new generalization of the original GR method to any Bravais lattices and show that it is superior to the tetrahedron method and the adaptive Gaussian broadening method. Finally, we apply our generalized GR method to compute DOS of various gyroid photonic crystals of topological degeneracies.

Gradient structure and transport coefficients for strong particles

NASA Astrophysics Data System (ADS)

Gabrielli, Davide; Krapivsky, P. L.

2018-04-01

We introduce and study a simple and natural class of solvable stochastic lattice gases. This is the class of strong particles. The name is due to the fact that when they try to jump to an occupied site they succeed in pushing away a pile of particles. For this class of models we explicitly compute the transport coefficients. We also discuss some generalizations and the relations with other classes of solvable models.

Wetting of flat gradient surfaces.

PubMed

Bormashenko, Edward

2018-04-01

Gradient, chemically modified, flat surfaces enable directed transport of droplets. Calculation of apparent contact angles inherent for gradient surfaces is challenging even for atomically flat ones. Wetting of gradient, flat solid surfaces is treated within the variational approach, under which the contact line is free to move along the substrate. Transversality conditions of the variational problem give rise to the generalized Young equation valid for gradient solid surfaces. The apparent (equilibrium) contact angle of a droplet, placed on a gradient surface depends on the radius of the contact line and the values of derivatives of interfacial tensions. The linear approximation of the problem is considered. It is demonstrated that the contact angle hysteresis is inevitable on gradient surfaces. Electrowetting of gradient surfaces is discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

A broadband high-transmission gradient phase discontinuity metasurface

NASA Astrophysics Data System (ADS)

Liu, Yahong; Liu, Congcong; Song, Kun; Li, Meize; Zhao, Xiaopeng

2018-03-01

Metasurfaces have attracted significant attention due to the control of the electromagnetic waves that they enable. In this paper, we demonstrate a high-transmission gradient phase discontinuity metasurface composed of metallic rods and cylindrical dielectric resonators operating at a broadband microwave frequency from 8 GHz to 9.8 GHz, with a fractional bandwidth of 20.2%. The proposed gradient phase discontinuity metasurface can achieve complete 2π transmission phase coverage with π/4 phase intervals by varying the geometric parameters of the dielectric resonators and metallic rods. It is shown that the proposed metasurface can refract a normally incident plane wave to an angle of 30°. The broadband metasurface is flexible, and the refracted angle can be adjusted easily by varying the lattice constant. Besides the broadband anomalous refraction, we also demonstrate the metasurface can produce an interesting vortex and wave-focusing in the wide frequency range from 8 GHz to 9.8 GHz. Finally, we demonstrate that the present metasurface can tailor interference wavefronts to plane wavefronts.

Adaptive control of large space structures using recursive lattice filters

NASA Technical Reports Server (NTRS)

Sundararajan, N.; Goglia, G. L.

1985-01-01

The use of recursive lattice filters for identification and adaptive control of large space structures is studied. Lattice filters were used to identify the structural dynamics model of the flexible structures. This identification model is then used for adaptive control. Before the identified model and control laws are integrated, the identified model is passed through a series of validation procedures and only when the model passes these validation procedures is control engaged. This type of validation scheme prevents instability when the overall loop is closed. Another important area of research, namely that of robust controller synthesis, was investigated using frequency domain multivariable controller synthesis methods. The method uses the Linear Quadratic Guassian/Loop Transfer Recovery (LQG/LTR) approach to ensure stability against unmodeled higher frequency modes and achieves the desired performance.

Stochastic inflation lattice simulations - Ultra-large scale structure of the universe

NASA Technical Reports Server (NTRS)

Salopek, D. S.

1991-01-01

Non-Gaussian fluctuations for structure formation may arise in inflation from the nonlinear interaction of long wavelength gravitational and scalar fields. Long wavelength fields have spatial gradients, a (exp -1), small compared to the Hubble radius, and they are described in terms of classical random fields that are fed by short wavelength quantum noise. Lattice Langevin calculations are given for a toy model with a scalar field interacting with an exponential potential where one can obtain exact analytic solutions of the Fokker-Planck equation. For single scalar field models that are consistent with current microwave background fluctuations, the fluctuations are Gaussian. However, for scales much larger than our observable Universe, one expects large metric fluctuations that are non-Gaussian. This example illuminates non-Gaussian models involving multiple scalar fields which are consistent with current microwave background limits.

Prediction of electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor: an ab-initio study

NASA Astrophysics Data System (ADS)

Mayengbam, Rishikanta; Tripathy, S. K.; Pandey, B. P.

2018-03-01

In this paper, we have investigated the structural, electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor using generalized gradient approximation (GGA) within density functional theory (DFT). We have calculated the optimized lattice constants (a and c) and compared with the available experimental values. The optimized lattice constants have been used to calculate the energy band gap and found to be 1.57 eV. The partial density of states and total density of states have been discussed in detail. The frequency dependent dielectric constant and refractive index have been calculated and plotted in the energy range 0-13 eV. All the above parameters have been compared with the available experimental and theoretical values and found good agreement between them.

Ground states of linear rotor chains via the density matrix renormalization group

NASA Astrophysics Data System (ADS)

Iouchtchenko, Dmitri; Roy, Pierre-Nicholas

2018-04-01

In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting from the placement of dipolar linear rotors in one-dimensional lattices at low temperature has a transition between ordered and disordered phases. We use the density matrix renormalization group (DMRG) to compute ground states of chains of up to 100 rotors and provide further evidence of the phase transition in the form of a diverging entanglement entropy. We also propose two methods and present some first steps toward rotational spectra of such molecular assemblies using DMRG. The present work showcases the power of DMRG in this new context of interacting molecular rotors and opens the door to the study of fundamental questions regarding criticality in systems with continuous degrees of freedom.

Analyses of a heterogeneous lattice hydrodynamic model with low and high-sensitivity vehicles

NASA Astrophysics Data System (ADS)

Kaur, Ramanpreet; Sharma, Sapna

2018-06-01

Basic lattice model is extended to study the heterogeneous traffic by considering the optimal current difference effect on a unidirectional single lane highway. Heterogeneous traffic consisting of low- and high-sensitivity vehicles is modeled and their impact on stability of mixed traffic flow has been examined through linear stability analysis. The stability of flow is investigated in five distinct regions of the neutral stability diagram corresponding to the amount of higher sensitivity vehicles present on road. In order to investigate the propagating behavior of density waves non linear analysis is performed and near the critical point, the kink antikink soliton is obtained by driving mKdV equation. The effect of fraction parameter corresponding to high sensitivity vehicles is investigated and the results indicates that the stability rise up due to the fraction parameter. The theoretical findings are verified via direct numerical simulation.

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

Conformal versus confining scenario in SU(2) with adjoint fermions

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

Del Debbio, L.; Pica, C.; Lucini, B.

2009-10-01

The masses of the lowest-lying states in the meson and in the gluonic sector of an SU(2) gauge theory with two Dirac flavors in the adjoint representation are measured on the lattice at a fixed value of the lattice coupling {beta}=4/g{sub 0}{sup 2}=2.25 for values of the bare fermion mass m{sub 0} that span a range between the quenched regime and the massless limit, and for various lattice volumes. Even for light constituent fermions the lightest glueballs are found to be lighter than the lightest mesons. Moreover, the string tension between two static fundamental sources strongly depends on the massmore » of the dynamical fermions and becomes of the order of the inverse squared lattice linear size before the chiral limit is reached. The implications of these findings for the phase of the theory in the massless limit are discussed and a strategy for discriminating between the (near-)conformal and the confining scenario is outlined.« less

Constrained multi-objective optimization of storage ring lattices

NASA Astrophysics Data System (ADS)

Husain, Riyasat; Ghodke, A. D.

2018-03-01

The storage ring lattice optimization is a class of constrained multi-objective optimization problem, where in addition to low beam emittance, a large dynamic aperture for good injection efficiency and improved beam lifetime are also desirable. The convergence and computation times are of great concern for the optimization algorithms, as various objectives are to be optimized and a number of accelerator parameters to be varied over a large span with several constraints. In this paper, a study of storage ring lattice optimization using differential evolution is presented. The optimization results are compared with two most widely used optimization techniques in accelerators-genetic algorithm and particle swarm optimization. It is found that the differential evolution produces a better Pareto optimal front in reasonable computation time between two conflicting objectives-beam emittance and dispersion function in the straight section. The differential evolution was used, extensively, for the optimization of linear and nonlinear lattices of Indus-2 for exploring various operational modes within the magnet power supply capabilities.

Intra-coil interactions in split gradient coils in a hybrid MRI-LINAC system

NASA Astrophysics Data System (ADS)

Tang, Fangfang; Freschi, Fabio; Sanchez Lopez, Hector; Repetto, Maurizio; Liu, Feng; Crozier, Stuart

2016-04-01

An MRI-LINAC system combines a magnetic resonance imaging (MRI) system with a medical linear accelerator (LINAC) to provide image-guided radiotherapy for targeting tumors in real-time. In an MRI-LINAC system, a set of split gradient coils is employed to produce orthogonal gradient fields for spatial signal encoding. Owing to this unconventional gradient configuration, eddy currents induced by switching gradient coils on and off may be of particular concern. It is expected that strong intra-coil interactions in the set will be present due to the constrained return paths, leading to potential degradation of the gradient field linearity and image distortion. In this study, a series of gradient coils with different track widths have been designed and analyzed to investigate the electromagnetic interactions between coils in a split gradient set. A driving current, with frequencies from 100 Hz to 10 kHz, was applied to study the inductive coupling effects with respect to conductor geometry and operating frequency. It was found that the eddy currents induced in the un-energized coils (hereby-referred to as passive coils) positively correlated with track width and frequency. The magnetic field induced by the eddy currents in the passive coils with wide tracks was several times larger than that induced by eddy currents in the cold shield of cryostat. The power loss in the passive coils increased with the track width. Therefore, intra-coil interactions should be included in the coil design and analysis process.

Orthonormal vector general polynomials derived from the Cartesian gradient of the orthonormal Zernike-based polynomials.

PubMed

Mafusire, Cosmas; Krüger, Tjaart P J

2018-06-01

The concept of orthonormal vector circle polynomials is revisited by deriving a set from the Cartesian gradient of Zernike polynomials in a unit circle using a matrix-based approach. The heart of this model is a closed-form matrix equation of the gradient of Zernike circle polynomials expressed as a linear combination of lower-order Zernike circle polynomials related through a gradient matrix. This is a sparse matrix whose elements are two-dimensional standard basis transverse Euclidean vectors. Using the outer product form of the Cholesky decomposition, the gradient matrix is used to calculate a new matrix, which we used to express the Cartesian gradient of the Zernike circle polynomials as a linear combination of orthonormal vector circle polynomials. Since this new matrix is singular, the orthonormal vector polynomials are recovered by reducing the matrix to its row echelon form using the Gauss-Jordan elimination method. We extend the model to derive orthonormal vector general polynomials, which are orthonormal in a general pupil by performing a similarity transformation on the gradient matrix to give its equivalent in the general pupil. The outer form of the Gram-Schmidt procedure and the Gauss-Jordan elimination method are then applied to the general pupil to generate the orthonormal vector general polynomials from the gradient of the orthonormal Zernike-based polynomials. The performance of the model is demonstrated with a simulated wavefront in a square pupil inscribed in a unit circle.

The U.S. Geological Survey Modular Ground-Water Model - PCGN: A Preconditioned Conjugate Gradient Solver with Improved Nonlinear Control

USGS Publications Warehouse

Naff, Richard L.; Banta, Edward R.

2008-01-01

The preconditioned conjugate gradient with improved nonlinear control (PCGN) package provides addi-tional means by which the solution of nonlinear ground-water flow problems can be controlled as compared to existing solver packages for MODFLOW. Picard iteration is used to solve nonlinear ground-water flow equations by iteratively solving a linear approximation of the nonlinear equations. The linear solution is provided by means of the preconditioned conjugate gradient algorithm where preconditioning is provided by the modi-fied incomplete Cholesky algorithm. The incomplete Cholesky scheme incorporates two levels of fill, 0 and 1, in which the pivots can be modified so that the row sums of the preconditioning matrix and the original matrix are approximately equal. A relaxation factor is used to implement the modified pivots, which determines the degree of modification allowed. The effects of fill level and degree of pivot modification are briefly explored by means of a synthetic, heterogeneous finite-difference matrix; results are reported in the final section of this report. The preconditioned conjugate gradient method is coupled with Picard iteration so as to efficiently solve the nonlinear equations associated with many ground-water flow problems. The description of this coupling of the linear solver with Picard iteration is a primary concern of this document.

Equilibrium and initial linear stability analysis of liquid metal falling film flows in a varying spanwise magnetic field

NASA Astrophysics Data System (ADS)

Gao, D.; Morley, N. B.

2002-12-01

A 2D model for MHD free surface flow in a spanwise field is developed. The model, designed to simulate film flows of liquid metals in future thermo­nuclear fusion reactors, considers an applied spanwise magnetic field with spatial and temporal variation and an applied streamwise external current. A special case - a thin falling film flow in spanwise magnetic field with constant gradient and constant applied external streamwise current, is here investigated in depth to gain insight into the behavior of the MHD film flow. The fully developed flow solution is derived and initial linear stability analysis is performed for this special case. It is seen that the velocity profile is significantly changed due to the presence of the MHD effect, resulting in the free surface analog of the classic M-shape velocity profile seen in developing pipe flows in a field gradient. The field gradient is also seen to destabilize the film flow under most conditions. The effect of external current depends on the relative direction of the field gradient to the current direction. By controlling the magnitude of an external current, it is possible to obtain a linearly stable falling film under these magnetic field conditions. Tables 1, Figs 12, Refs 20.

Theoretical analysis of degradation mechanisms in the formation of morphogen gradients

NASA Astrophysics Data System (ADS)

Bozorgui, Behnaz; Teimouri, Hamid; Kolomeisky, Anatoly B.

2015-07-01

Fundamental biological processes of development of tissues and organs in multicellular organisms are governed by various signaling molecules, which are called morphogens. It is known that spatial and temporal variations in the concentration profiles of signaling molecules, which are frequently referred as morphogen gradients, lead to a cell differentiation via activating specific genes in a concentration-dependent manner. It is widely accepted that the establishment of the morphogen gradients involves multiple biochemical reactions and diffusion processes. One of the critical elements in the formation of morphogen gradients is a degradation of signaling molecules. We develop a new theoretical approach that provides a comprehensive description of the degradation mechanisms. It is based on the idea that the degradation works as an effective potential that drives the signaling molecules away from the source region. Utilizing the method of first-passage processes, the dynamics of the formation of morphogen gradients for various degradation mechanisms is explicitly evaluated. It is found that linear degradation processes lead to a dynamic behavior specified by times to form the morphogen gradients that depend linearly on the distance from the source. This is because the effective potential due to the degradation is quite strong. At the same time, nonlinear degradation mechanisms yield a quadratic scaling in the morphogen gradients formation times since the effective potentials are much weaker. Physical-chemical explanations of these phenomena are presented.

Staging optics considerations for a plasma wakefield acceleration linear collider

NASA Astrophysics Data System (ADS)

Lindstrøm, C. A.; Adli, E.; Allen, J. M.; Delahaye, J. P.; Hogan, M. J.; Joshi, C.; Muggli, P.; Raubenheimer, T. O.; Yakimenko, V.

2016-09-01

Plasma wakefield acceleration offers acceleration gradients of several GeV/m, ideal for a next-generation linear collider. The beam optics requirements between plasma cells include injection and extraction of drive beams, matching the main beam beta functions into the next cell, canceling dispersion as well as constraining bunch lengthening and chromaticity. To maintain a high effective acceleration gradient, this must be accomplished in the shortest distance possible. A working example is presented, using novel methods to correct chromaticity, as well as scaling laws for a high energy regime.

Combining Step Gradients and Linear Gradients in Density.

PubMed

Kumar, Ashok A; Walz, Jenna A; Gonidec, Mathieu; Mace, Charles R; Whitesides, George M

2015-06-16

Combining aqueous multiphase systems (AMPS) and magnetic levitation (MagLev) provides a method to produce hybrid gradients in apparent density. AMPS—solutions of different polymers, salts, or surfactants that spontaneously separate into immiscible but predominantly aqueous phases—offer thermodynamically stable steps in density that can be tuned by the concentration of solutes. MagLev—the levitation of diamagnetic objects in a paramagnetic fluid within a magnetic field gradient—can be arranged to provide a near-linear gradient in effective density where the height of a levitating object above the surface of the magnet corresponds to its density; the strength of the gradient in effective density can be tuned by the choice of paramagnetic salt and its concentrations and by the strength and gradient in the magnetic field. Including paramagnetic salts (e.g., MnSO4 or MnCl2) in AMPS, and placing them in a magnetic field gradient, enables their use as media for MagLev. The potential to create large steps in density with AMPS allows separations of objects across a range of densities. The gradients produced by MagLev provide resolution over a continuous range of densities. By combining these approaches, mixtures of objects with large differences in density can be separated and analyzed simultaneously. Using MagLev to add an effective gradient in density also enables tuning the range of densities captured at an interface of an AMPS by simply changing the position of the container in the magnetic field. Further, by creating AMPS in which phases have different concentrations of paramagnetic ions, the phases can provide different resolutions in density. These results suggest that combining steps in density with gradients in density can enable new classes of separations based on density.

Conjugate gradient based projection - A new explicit methodology for frictional contact

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; Li, Maocheng; Sha, Desong

1993-01-01

With special attention towards the applicability to parallel computation or vectorization, a new and effective explicit approach for linear complementary formulations involving a conjugate gradient based projection methodology is proposed in this study for contact problems with Coulomb friction. The overall objectives are focussed towards providing an explicit methodology of computation for the complete contact problem with friction. In this regard, the primary idea for solving the linear complementary formulations stems from an established search direction which is projected to a feasible region determined by the non-negative constraint condition; this direction is then applied to the Fletcher-Reeves conjugate gradient method resulting in a powerful explicit methodology which possesses high accuracy, excellent convergence characteristics, fast computational speed and is relatively simple to implement for contact problems involving Coulomb friction.

Performance optimization in electric field gradient focusing.

PubMed

Sun, Xuefei; Farnsworth, Paul B; Tolley, H Dennis; Warnick, Karl F; Woolley, Adam T; Lee, Milton L

2009-01-02

Electric field gradient focusing (EFGF) is a technique used to simultaneously separate and concentrate biomacromolecules, such as proteins, based on the opposing forces of an electric field gradient and a hydrodynamic flow. Recently, we reported EFGF devices fabricated completely from copolymers functionalized with poly(ethylene glycol), which display excellent resistance to protein adsorption. However, the previous devices did not provide the predicted linear electric field gradient and stable current. To improve performance, Tris-HCl buffer that was previously doped in the hydrogel was replaced with a phosphate buffer containing a salt (i.e., potassium chloride, KCl) with high mobility ions. The new devices exhibited stable current, good reproducibility, and a linear electric field distribution in agreement with the shaped gradient region design due to improved ion transport in the hydrogel. The field gradient was calculated based on theory to be approximately 5.76 V/cm(2) for R-phycoerythrin when the applied voltage was 500 V. The effect of EFGF separation channel dimensions was also investigated; a narrower focused band was achieved in a smaller diameter channel. The relationship between the bandwidth and channel diameter is consistent with theory. Three model proteins were resolved in an EFGF channel of this design. The improved device demonstrated 14,000-fold concentration of a protein sample (from 2 ng/mL to 27 microg/mL).

Induced electric currents in the Alaska oil pipeline measured by gradient, fluxgate, and SQUID magnetometers

NASA Technical Reports Server (NTRS)

Campbell, W. H.; Zimmerman, J. E.

1979-01-01

The field gradient method for observing the electric currents in the Alaska pipeline provided consistent values for both the fluxgate and SQUID method of observation. These currents were linearly related to the regularly measured electric and magnetic field changes. Determinations of pipeline current were consistent with values obtained by a direct connection, current shunt technique at a pipeline site about 9.6 km away. The gradient method has the distinct advantage of portability and buried- pipe capability. Field gradients due to the pipe magnetization, geological features, or ionospheric source currents do not seem to contribute a measurable error to such pipe current determination. The SQUID gradiometer is inherently sensitive enough to detect very small currents in a linear conductor at 10 meters, or conversely, to detect small currents of one amphere or more at relatively great distances. It is fairly straightforward to achieve imbalance less than one part in ten thousand, and with extreme care, one part in one million or better.

Controlling the column spacing in isothermal magnetic advection to enable tunable heat and mass transfer.

DOE PAGES

Solis, Kyle Jameson; Martin, James E.

2012-11-01

Isothermal magnetic advection is a recently discovered method of inducing highly organized, non-contact flow lattices in suspensions of magnetic particles, using only uniform ac magnetic fields of modest strength. The initiation of these vigorous flows requires neither a thermal gradient nor a gravitational field and so can be used to transfer heat and mass in circumstances where natural convection does not occur. These advection lattices are comprised of a square lattice of antiparallel flow columns. If the column spacing is sufficiently large compared to the column length, and the flow rate within the columns is sufficiently large, then one wouldmore » expect efficient transfer of both heat and mass. Otherwise, the flow lattice could act as a countercurrent heat exchanger and only mass will be efficiently transferred. Although this latter case might be useful for feeding a reaction front without extracting heat, it is likely that most interest will be focused on using IMA for heat transfer. In this paper we explore the various experimental parameters of IMA to determine which of these can be used to control the column spacing. These parameters include the field frequency, strength, and phase relation between the two field components, the liquid viscosity and particle volume fraction. We find that the column spacing can easily be tuned over a wide range, to enable the careful control of heat and mass transfer.« less

Chip-based microtrap arrays for cold polar molecules

NASA Astrophysics Data System (ADS)

Hou, Shunyong; Wei, Bin; Deng, Lianzhong; Yin, Jianping

2017-12-01

Compared to the atomic chip, which has been a powerful platform to perform an astonishing range of applications from rapid Bose-Einstein condensate (BEC) production to the atomic clock, the molecular chip is only in its infant stages. Recently a one-dimensional electric lattice was demonstrated to trap polar molecules on a chip. This excellent work opens up the way to building a molecular chip laboratory. Here we propose a two-dimensional (2D) electric lattice on a chip with concise and robust structure, which is formed by arrays of squared gold wires. Arrays of microtraps that originate in the microsize electrodes offer a steep gradient and thus allow for confining both light and heavy polar molecules. Theoretical analysis and numerical calculations are performed using two types of sample molecules, N D3 and SrF, to justify the possibility of our proposal. The height of the minima of the potential wells is about 10 μm above the surface of the chip and can be easily adjusted in a wide range by changing the voltages applied on the electrodes. These microtraps offer intriguing perspectives for investigating cold molecules in periodic potentials, such as quantum computing science, low-dimensional physics, and some other possible applications amenable to magnetic or optical lattice. The 2D adjustable electric lattice is expected to act as a building block for a future gas-phase molecular chip laboratory.

Models of collective cell spreading with variable cell aspect ratio: a motivation for degenerate diffusion models.

PubMed

Simpson, Matthew J; Baker, Ruth E; McCue, Scott W

2011-02-01

Continuum diffusion models are often used to represent the collective motion of cell populations. Most previous studies have simply used linear diffusion to represent collective cell spreading, while others found that degenerate nonlinear diffusion provides a better match to experimental cell density profiles. In the cell modeling literature there is no guidance available with regard to which approach is more appropriate for representing the spreading of cell populations. Furthermore, there is no knowledge of particular experimental measurements that can be made to distinguish between situations where these two models are appropriate. Here we provide a link between individual-based and continuum models using a multiscale approach in which we analyze the collective motion of a population of interacting agents in a generalized lattice-based exclusion process. For round agents that occupy a single lattice site, we find that the relevant continuum description of the system is a linear diffusion equation, whereas for elongated rod-shaped agents that occupy L adjacent lattice sites we find that the relevant continuum description is connected to the porous media equation (PME). The exponent in the nonlinear diffusivity function is related to the aspect ratio of the agents. Our work provides a physical connection between modeling collective cell spreading and the use of either the linear diffusion equation or the PME to represent cell density profiles. Results suggest that when using continuum models to represent cell population spreading, we should take care to account for variations in the cell aspect ratio because different aspect ratios lead to different continuum models.

Seafloor Topography Estimation from Gravity Gradient Using Simulated Annealing

NASA Astrophysics Data System (ADS)

Yang, J.; Jekeli, C.; Liu, L.

2017-12-01

Inferring seafloor topography from gravimetry is an indirect yet proven and efficient means to map the ocean floor. Standard techniques rely on an approximate, linear relationship (Parker's formula) between topography and gravity. It has been reported that in the very rugged areas the discrepancies between prediction and ship soundings are very large, partly because the linear term of Parker's infinite series is dominant only in areas where the local topography is small compared with the regional topography. The validity of the linear approximation is therefore in need of analysis. In this study the nonlinear effects caused by terrain are quantified by both numerical tests and an algorithmic approach called coherency. It is shown that the nonlinear effects are more significant at higher frequencies, which suggests that estimation algorithms with nonlinear approximation in the modeled relationship between gravity gradient and topography should be developed in preparation for future high-resolution gravity gradient missions. The simulated annealing (SA) method is such an optimization technique that can process nonlinear inverse problems, and is used to estimate the seafloor topography parameters in a forward model by minimizing the difference between the observed and forward-computed vertical gravity gradients. Careful treatments like choosing suitable truncation distance, padding the vicinity of the study area with a known topography model, and using the relative cost function, are considered to improve the estimation accuracy. This study uses the gravity gradient, which is more sensitive to topography at short wavelengths than gravity anomaly. The gravity gradient data are derived from satellite altimetry, but the SA has no restrictions on data distribution, as required in Parker's infinite series model, thus enabling the use of airborne gravity gradient data, whose survey trajectories are irregular. The SA method is tested in an area of Guyots (E 156°-158° in longitude, N 20°-22° in latitude). Comparison between the estimation and ship sounding shows that half of the discrepancy is within 110 m, which improves the result from standard techniques by 32%.

The Rényi entanglement entropy of a general quantum dimer model at the RK point: a highly efficient algorithm.

PubMed

Pei, Jiquan; Han, Steve; Liao, Haijun; Li, Tao

2014-01-22

A highly efficient and simple-to-implement Monte Carlo algorithm is proposed for the evaluation of the Rényi entanglement entropy (REE) of the quantum dimer model (QDM) at the Rokhsar-Kivelson (RK) point. It makes possible the evaluation of REE at the RK point to the thermodynamic limit for a general QDM. We apply the algorithm to a QDM defined on the triangular and the square lattice in two dimensions and the simple and the face centered cubic (fcc) lattice in three dimensions. We find the REE on all these lattices follows perfect linear scaling in the thermodynamic limit, apart from an even-odd oscillation in the case of the square lattice. We also evaluate the topological entanglement entropy (TEE) with both a subtraction and an extrapolation procedure. We find the QDMs on both the triangular and the fcc lattice exhibit robust Z2 topological order. The expected TEE of ln2 is clearly demonstrated in both cases. Our large scale simulation also proves the recently proposed extrapolation procedure in cylindrical geometry to be a highly reliable way to extract the TEE of a topologically ordered system.

Kinetic water-bag model of global collisional drift waves and ion temperature gradient instabilities in cylindrical geometry

NASA Astrophysics Data System (ADS)

Gravier, E.; Plaut, E.

2013-04-01

Collisional drift waves and ion temperature gradient (ITG) instabilities are studied using a linear water-bag kinetic model [P. Morel et al., Phys. Plasmas 14, 112109 (2007)]. An efficient spectral method, already validated in the case of drift waves instabilities [E. Gravier et al., Eur. Phys. J. D 67, 7 (2013)], allows a fast solving of the global linear problem in cylindrical geometry. The comparison between the linear ITG instability properties thus computed and the ones given by the COLUMBIA experiment [R. G. Greaves et al., Plasma Phys. Controlled Fusion 34, 1253 (1992)] shows a qualitative agreement. Moreover, the transition between collisional drift waves and ITG instabilities is studied theoretically as a function of the ion temperature profile.

Noise tolerant dendritic lattice associative memories

NASA Astrophysics Data System (ADS)

Ritter, Gerhard X.; Schmalz, Mark S.; Hayden, Eric; Tucker, Marc

2011-09-01

Linear classifiers based on computation over the real numbers R (e.g., with operations of addition and multiplication) denoted by (R, +, x), have been represented extensively in the literature of pattern recognition. However, a different approach to pattern classification involves the use of addition, maximum, and minimum operations over the reals in the algebra (R, +, maximum, minimum) These pattern classifiers, based on lattice algebra, have been shown to exhibit superior information storage capacity, fast training and short convergence times, high pattern classification accuracy, and low computational cost. Such attributes are not always found, for example, in classical neural nets based on the linear inner product. In a special type of lattice associative memory (LAM), called a dendritic LAM or DLAM, it is possible to achieve noise-tolerant pattern classification by varying the design of noise or error acceptance bounds. This paper presents theory and algorithmic approaches for the computation of noise-tolerant lattice associative memories (LAMs) under a variety of input constraints. Of particular interest are the classification of nonergodic data in noise regimes with time-varying statistics. DLAMs, which are a specialization of LAMs derived from concepts of biological neural networks, have successfully been applied to pattern classification from hyperspectral remote sensing data, as well as spatial object recognition from digital imagery. The authors' recent research in the development of DLAMs is overviewed, with experimental results that show utility for a wide variety of pattern classification applications. Performance results are presented in terms of measured computational cost, noise tolerance, classification accuracy, and throughput for a variety of input data and noise levels.

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

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

Buda, I. G.; Lane, C.; Barbiellini, B.

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functionalmore » for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.« less

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

DOE PAGES

Buda, I. G.; Lane, C.; Barbiellini, B.; ...

2017-03-23

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functionalmore » for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.« 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.

Radiative albedo from a linearly fibered half-space

NASA Astrophysics Data System (ADS)

Grzesik, J. A.

2018-05-01

A growing acceptance of fiber-reinforced composite materials imparts some relevance to exploring the effects which a predominantly linear scattering lattice may have upon interior radiative transport. Indeed, a central feature of electromagnetic wave propagation within such a lattice, if sufficiently dilute, is ray confinement to cones whose half-angles are set by that between lattice and the incident ray. When such propagation is subordinated to a viewpoint of an unpolarized intensity transport, one arrives at a somewhat simplified variant of the Boltzmann equation with spherical scattering demoted to its cylindrical counterpart. With a view to initiating a hopefully wider discussion of such phenomena, we follow through in detail the half-space albedo problem. This is done first along canonical lines that harness the Wiener-Hopf technique, and then once more in a discrete ordinates setting via flux decomposition along the eigenbasis of the underlying attenuation/scattering matrix. Good agreement is seen to prevail. We further suggest that the Case singular eigenfunction apparatus could likewise be evolved here in close analogy to its original, spherical scattering model. A cursory contact with related problems in the astrophysical literature suggests, in addition, that the basic physical fidelity of our scalar radiative transfer equation (RTE) remains open to improvement by passage to a (4×1) Stokes vector, (4×4) matricial setting.

One- and two-dimensional gap solitons and dynamics in the PT-symmetric lattice potential and spatially-periodic momentum modulation

NASA Astrophysics Data System (ADS)

Chen, Yong; Yan, Zhenya; Li, Xin

2018-02-01

The influence of spatially-periodic momentum modulation on beam dynamics in parity-time (PT) symmetric optical lattice is systematically investigated in the one- and two-dimensional nonlinear Schrödinger equations. In the linear regime, we demonstrate that the momentum modulation can alter the first and second PT thresholds of the classical lattice, periodically or regularly change the shapes of the band structure, rotate and split the diffraction patterns of beams leading to multiple refraction and emissions. In the Kerr-nonlinear regime for one-dimension (1D) case, a large family of fundamental solitons within the semi-infinite gap can be found to be stable, even beyond the second PT threshold; it is shown that the momentum modulation can shrink the existing range of fundamental solitons and not change their stability. For two-dimension (2D) case, most solitons with higher intensities are relatively unstable in their existing regions which are narrower than those in 1D case, but we also find stable fundamental solitons corroborated by linear stability analysis and direct beam propagation. More importantly, the momentum modulation can also utterly change the direction of the transverse power flow and control the energy exchange among gain or loss regions.

High gradient RF test results of S-band and C-band cavities for medical linear accelerators

NASA Astrophysics Data System (ADS)

Degiovanni, A.; Bonomi, R.; Garlasché, M.; Verdú-Andrés, S.; Wegner, R.; Amaldi, U.

2018-05-01

TERA Foundation has proposed and designed hadrontherapy facilities based on novel linacs, i.e. high gradient linacs which accelerate either protons or light ions. The overall length of the linac, and therefore its cost, is almost inversely proportional to the average accelerating gradient. With the scope of studying the limiting factors for high gradient operation and to optimize the linac design, TERA, in collaboration with the CLIC Structure Development Group, has conducted a series of high gradient experiments. The main goals were to study the high gradient behavior and to evaluate the maximum gradient reached in 3 and 5.7 GHz structures to direct the design of medical accelerators based on high gradient linacs. This paper summarizes the results of the high power tests of 3.0 and 5.7 GHz single-cell cavities.

Linearly exact parallel closures for slab geometry

NASA Astrophysics Data System (ADS)

Ji, Jeong-Young; Held, Eric D.; Jhang, Hogun

2013-08-01

Parallel closures are obtained by solving a linearized kinetic equation with a model collision operator using the Fourier transform method. The closures expressed in wave number space are exact for time-dependent linear problems to within the limits of the model collision operator. In the adiabatic, collisionless limit, an inverse Fourier transform is performed to obtain integral (nonlocal) parallel closures in real space; parallel heat flow and viscosity closures for density, temperature, and flow velocity equations replace Braginskii's parallel closure relations, and parallel flow velocity and heat flow closures for density and temperature equations replace Spitzer's parallel transport relations. It is verified that the closures reproduce the exact linear response function of Hammett and Perkins [Phys. Rev. Lett. 64, 3019 (1990)] for Landau damping given a temperature gradient. In contrast to their approximate closures where the vanishing viscosity coefficient numerically gives an exact response, our closures relate the heat flow and nonvanishing viscosity to temperature and flow velocity (gradients).

Acceleration of the direct reconstruction of linear parametric images using nested algorithms.

PubMed

Wang, Guobao; Qi, Jinyi

2010-03-07

Parametric imaging using dynamic positron emission tomography (PET) provides important information for biological research and clinical diagnosis. Indirect and direct methods have been developed for reconstructing linear parametric images from dynamic PET data. Indirect methods are relatively simple and easy to implement because the image reconstruction and kinetic modeling are performed in two separate steps. Direct methods estimate parametric images directly from raw PET data and are statistically more efficient. However, the convergence rate of direct algorithms can be slow due to the coupling between the reconstruction and kinetic modeling. Here we present two fast gradient-type algorithms for direct reconstruction of linear parametric images. The new algorithms decouple the reconstruction and linear parametric modeling at each iteration by employing the principle of optimization transfer. Convergence speed is accelerated by running more sub-iterations of linear parametric estimation because the computation cost of the linear parametric modeling is much less than that of the image reconstruction. Computer simulation studies demonstrated that the new algorithms converge much faster than the traditional expectation maximization (EM) and the preconditioned conjugate gradient algorithms for dynamic PET.

Drift and Behavior of E. coli Cells

NASA Astrophysics Data System (ADS)

Micali, Gabriele; Colin, Rémy; Sourjik, Victor; Endres, Robert G.

2017-12-01

Chemotaxis of the bacterium Escherichia coli is well understood in shallow chemical gradients, but its swimming behavior remains difficult to interpret in steep gradients. By focusing on single-cell trajectories from simulations, we investigated the dependence of the chemotactic drift velocity on attractant concentration in an exponential gradient. While maxima of the average drift velocity can be interpreted within analytical linear-response theory of chemotaxis in shallow gradients, limits in drift due to steep gradients and finite number of receptor-methylation sites for adaptation go beyond perturbation theory. For instance, we found a surprising pinning of the cells to the concentration in the gradient at which cells run out of methylation sites. To validate the positions of maximal drift, we recorded single-cell trajectories in carefully designed chemical gradients using microfluidics.

Erosion of cohesive soil layers above underground conduits

NASA Astrophysics Data System (ADS)

Luu, Li-Hua; Philippe, Pierre; Noury, Gildas; Perrin, Jérôme; Brivois, Olivier

2017-06-01

Using a recently developed 2D numerical modelling that combines Discrete Element (DEM) and Lattice Boltzmann methods (LBM), we simulate the destabilisation by an hydraulic gradient of a cohesive granular soil clogging the top of an underground conduit. We aim to perform a multi-scale study that relates the grain scale behavior to the macroscopic erosion process. In particular, we study the influence of the flow conditions and the inter-particle contact forces intensity on the erosion kinetic.

Gradient Flow and Scale Setting on MILC HISQ Ensembles

DOE PAGES

Bazavov, A.; Bernard, C.; Brown, N.; ...

2016-05-25

We report on a scale determination with gradient-flow techniques on the N f = 2 + 1 + 1 HISQ ensembles generated by the MILC collaboration. The ensembles include four lattice spacings, ranging from approximately 0.15 to 0.06 fm, and both physical and unphysical values of the quark masses. The scales p √t 0/a and w 0/a and their tree-level improvements,√t 0;imp and w 0;imp, are computed on each ensemble using Symanzik ow and the cloverleaf definition of the energy density E. Using a combination of continuum chiral perturbation theory and a Taylor-series ansatz for the lattice-spacing and strong-coupling dependence,more » the results are simultaneously extrapolated to the continuum and interpolated to physical quark masses. We also determine the scales p t 0 = 0:1416( +8 -5) fm and w 0 = 0:1717( +12 -11) fm, where the errors are sums, in quadrature, of statistical and all systematic errors. The precision of w 0 and √t 0 is comparable to or more precise than the best previous estimates, respectively. We also find the continuum mass-dependence of w 0 that will be useful for estimating the scales of other ensembles. Furthermore, we estimate the integrated autocorrelation length of . For long flow times, the autocorrelation length of appears to be comparable to or smaller than that of the topological charge.« less

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

NASA Astrophysics Data System (ADS)

Ba, Yan; Liu, Haihu; Li, Qing; Kang, Qinjun; Sun, Jinju

2016-08-01

In this paper we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multirelaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulated with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike and bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.

Linear shoaling of free-surface waves in multi-layer non-hydrostatic models

NASA Astrophysics Data System (ADS)

Bai, Yefei; Cheung, Kwok Fai

2018-01-01

The capability to describe shoaling over sloping bottom is fundamental to modeling of coastal wave transformation. The linear shoaling gradient provides a metric to measure this property in non-hydrostatic models with layer-integrated formulations. The governing equations in Boussinesq form facilitate derivation of the linear shoaling gradient, which is in the form of a [ 2 P + 2 , 2 P ] expansion of the water depth parameter kd with P equal to 1 for a one-layer model and (4 N - 4) for an N-layer model. The expansion reproduces the analytical solution from Airy wave theory at the shallow water limit and maintains a reasonable approximation up to kd = 1.2 and 2 for the one and two-layer models. Additional layers provide rapid and monotonic convergence of the shoaling gradient into deep water. Numerical experiments of wave propagation over a plane slope illustrate manifestation of the shoaling errors through the transformation processes from deep to shallow water. Even though outside the zone of active wave transformation, shoaling errors from deep to intermediate water are cumulative to produce appreciable impact to the wave amplitude in shallow water.

Towards a better understanding of critical gradients and near-marginal turbulence in burning plasma conditions

NASA Astrophysics Data System (ADS)

Holland, C.; Candy, J.; Howard, N. T.

2017-10-01

Developing accurate predictive transport models of burning plasma conditions is essential for confident prediction and optimization of next step experiments such as ITER and DEMO. Core transport in these plasmas is expected to be very small in gyroBohm-normalized units, such that the plasma should lie close to the critical gradients for onset of microturbulence instabilities. We present recent results investigating the scaling of linear critical gradients of ITG, TEM, and ETG modes as a function of parameters such as safety factor, magnetic shear, and collisionality for nominal conditions and geometry expected in ITER H-mode plasmas. A subset of these results is then compared against predictions from nonlinear gyrokinetic simulations, to quantify differences between linear and nonlinear thresholds. As part of this study, linear and nonlinear results from both GYRO and CGYRO codes will be compared against each other, as well as to predictions from the quasilinear TGLF model. Challenges arising from near-marginal turbulence dynamics are addressed. This work was supported by the US Department of Energy under US DE-SC0006957.

Quantifying the Energy Efficiency of Object Recognition and Optical Flow

DTIC Science & Technology

2014-03-28

other linear solvers, such as conjugate- gradient (CG), preconditioned conjugate-gradient (PCG), and red-black Gauss Seidel (RB). We have also... Seidel , and conjugate gradient solvers. We are interested in the energy it takes to get a given solution quality. In Figure 6, we plot the quality of...in terms of Joules. Conversely, our implementation of red-black Gauss Seidel proves to be very inefficient when we consider Joules instead of just

Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation

NASA Astrophysics Data System (ADS)

Khoromskaia, Venera; Khoromskij, Boris N.

2014-12-01

Our recent method for low-rank tensor representation of sums of the arbitrarily positioned electrostatic potentials discretized on a 3D Cartesian grid reduces the 3D tensor summation to operations involving only 1D vectors however retaining the linear complexity scaling in the number of potentials. Here, we introduce and study a novel tensor approach for fast and accurate assembled summation of a large number of lattice-allocated potentials represented on 3D N × N × N grid with the computational requirements only weakly dependent on the number of summed potentials. It is based on the assembled low-rank canonical tensor representations of the collected potentials using pointwise sums of shifted canonical vectors representing the single generating function, say the Newton kernel. For a sum of electrostatic potentials over L × L × L lattice embedded in a box the required storage scales linearly in the 1D grid-size, O(N) , while the numerical cost is estimated by O(NL) . For periodic boundary conditions, the storage demand remains proportional to the 1D grid-size of a unit cell, n = N / L, while the numerical cost reduces to O(N) , that outperforms the FFT-based Ewald-type summation algorithms of complexity O(N3 log N) . The complexity in the grid parameter N can be reduced even to the logarithmic scale O(log N) by using data-sparse representation of canonical N-vectors via the quantics tensor approximation. For justification, we prove an upper bound on the quantics ranks for the canonical vectors in the overall lattice sum. The presented approach is beneficial in applications which require further functional calculus with the lattice potential, say, scalar product with a function, integration or differentiation, which can be performed easily in tensor arithmetics on large 3D grids with 1D cost. Numerical tests illustrate the performance of the tensor summation method and confirm the estimated bounds on the tensor ranks.

The Dropout Learning Algorithm

PubMed Central

Baldi, Pierre; Sadowski, Peter

2014-01-01

Dropout is a recently introduced algorithm for training neural network by randomly dropping units during training to prevent their co-adaptation. A mathematical analysis of some of the static and dynamic properties of dropout is provided using Bernoulli gating variables, general enough to accommodate dropout on units or connections, and with variable rates. The framework allows a complete analysis of the ensemble averaging properties of dropout in linear networks, which is useful to understand the non-linear case. The ensemble averaging properties of dropout in non-linear logistic networks result from three fundamental equations: (1) the approximation of the expectations of logistic functions by normalized geometric means, for which bounds and estimates are derived; (2) the algebraic equality between normalized geometric means of logistic functions with the logistic of the means, which mathematically characterizes logistic functions; and (3) the linearity of the means with respect to sums, as well as products of independent variables. The results are also extended to other classes of transfer functions, including rectified linear functions. Approximation errors tend to cancel each other and do not accumulate. Dropout can also be connected to stochastic neurons and used to predict firing rates, and to backpropagation by viewing the backward propagation as ensemble averaging in a dropout linear network. Moreover, the convergence properties of dropout can be understood in terms of stochastic gradient descent. Finally, for the regularization properties of dropout, the expectation of the dropout gradient is the gradient of the corresponding approximation ensemble, regularized by an adaptive weight decay term with a propensity for self-consistent variance minimization and sparse representations. PMID:24771879

Continuously controlled optical band gap in oxide semiconductor thin films

DOE PAGES

Herklotz, Andreas; Rus, Stefania Florina; Ward, Thomas Zac

2016-02-02

The optical band gap of the prototypical semiconducting oxide SnO 2 is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. In conclusion,more » charge density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.« less

The Effect of Hydraulic Gradient and Pattern of Conduit Systems on Tracing Tests: Bench-Scale Modeling.

PubMed

Mohammadi, Zargham; Gharaat, Mohammad Javad; Field, Malcolm

2018-03-13

Tracer breakthrough curves provide valuable information about the traced media, especially in inherently heterogeneous karst aquifers. In order to study the effect of variations in hydraulic gradient and conduit systems on breakthrough curves, a bench scale karst model was constructed. The bench scale karst model contains both matrix and a conduit. Eight tracing tests were conducted under a wide range of hydraulic gradients from 1 to greater than 5 for branchwork and network-conduit systems. Sampling points at varying distances from the injection point were utilized. Results demonstrate that mean tracer velocities, tracer mass recovery and linear rising slope of the breakthrough curves were directly controlled by hydraulic gradient. As hydraulic gradient increased, both one half the time for peak concentration and one fifth the time for peak concentration decreased. The results demonstrate the variations in one half the time for peak concentration and one fifth the time for peak concentration of the descending limb for different sampling points under differing hydraulic gradients are mainly controlled by the interactions of advection with dispersion. The results are discussed from three perspectives: different conduit systems, different hydraulic-gradient conditions, and different sampling points. The research confirmed the undeniable role of hydrogeological setting (i.e., hydraulic gradient and conduit system) on the shape of the breakthrough curve. The extracted parameters (mobile-fluid velocity, tracer-mass recovery, linear rising limb, one half the time for peak concentration, and one fifth the time for peak concentration) allow for differentiating hydrogeological settings and enhance interpretations the tracing tests in karst aquifers. © 2018, National Ground Water Association.

Intra-coil interactions in split gradient coils in a hybrid MRI-LINAC system.

PubMed

Tang, Fangfang; Freschi, Fabio; Sanchez Lopez, Hector; Repetto, Maurizio; Liu, Feng; Crozier, Stuart

2016-04-01

An MRI-LINAC system combines a magnetic resonance imaging (MRI) system with a medical linear accelerator (LINAC) to provide image-guided radiotherapy for targeting tumors in real-time. In an MRI-LINAC system, a set of split gradient coils is employed to produce orthogonal gradient fields for spatial signal encoding. Owing to this unconventional gradient configuration, eddy currents induced by switching gradient coils on and off may be of particular concern. It is expected that strong intra-coil interactions in the set will be present due to the constrained return paths, leading to potential degradation of the gradient field linearity and image distortion. In this study, a series of gradient coils with different track widths have been designed and analyzed to investigate the electromagnetic interactions between coils in a split gradient set. A driving current, with frequencies from 100 Hz to 10 kHz, was applied to study the inductive coupling effects with respect to conductor geometry and operating frequency. It was found that the eddy currents induced in the un-energized coils (hereby-referred to as passive coils) positively correlated with track width and frequency. The magnetic field induced by the eddy currents in the passive coils with wide tracks was several times larger than that induced by eddy currents in the cold shield of cryostat. The power loss in the passive coils increased with the track width. Therefore, intra-coil interactions should be included in the coil design and analysis process. Copyright © 2016 Elsevier Inc. All rights reserved.

Lattice Symmetry and Identification-The Fundamental Role of Reduced Cells in Materials Characterization.

PubMed

Mighell, A D

2001-01-01

In theory, physical crystals can be represented by idealized mathematical lattices. Under appropriate conditions, these representations can be used for a variety of purposes such as identifying, classifying, and understanding the physical properties of materials. Critical to these applications is the ability to construct a unique representation of the lattice. The vital link that enabled this theory to be realized in practice was provided by the 1970 paper on the determination of reduced cells. This seminal paper led to a mathematical approach to lattice analysis initially based on systematic reduction procedures and the use of standard cells. Subsequently, the process evolved to a matrix approach based on group theory and linear algebra that offered a more abstract and powerful way to look at lattices and their properties. Application of the reduced cell to both database work and laboratory research at NIST was immediately successful. Currently, this cell and/or procedures based on reduction are widely and routinely used by the general scientific community: (i) for calculating standard cells for the reporting of crystalline materials, (ii) for classifying materials, (iii) in crystallographic database work (iv) in routine x-ray and neutron diffractometry, and (v) in general crystallographic research. Especially important is its use in symmetry determination and in identification. The focus herein is on the role of the reduced cell in lattice symmetry determination.

Lattice Symmetry and Identification—The Fundamental Role of Reduced Cells in Materials Characterization

PubMed Central

Mighell, Alan D.

2001-01-01

In theory, physical crystals can be represented by idealized mathematical lattices. Under appropriate conditions, these representations can be used for a variety of purposes such as identifying, classifying, and understanding the physical properties of materials. Critical to these applications is the ability to construct a unique representation of the lattice. The vital link that enabled this theory to be realized in practice was provided by the 1970 paper on the determination of reduced cells. This seminal paper led to a mathematical approach to lattice analysis initially based on systematic reduction procedures and the use of standard cells. Subsequently, the process evolved to a matrix approach based on group theory and linear algebra that offered a more abstract and powerful way to look at lattices and their properties. Application of the reduced cell to both database work and laboratory research at NIST was immediately successful. Currently, this cell and/or procedures based on reduction are widely and routinely used by the general scientific community: (i) for calculating standard cells for the reporting of crystalline materials, (ii) for classifying materials, (iii) in crystallographic database work (iv) in routine x-ray and neutron diffractometry, and (v) in general crystallographic research. Especially important is its use in symmetry determination and in identification. The focus herein is on the role of the reduced cell in lattice symmetry determination. PMID:27500059

Conjugate Gradient Algorithms For Manipulator Simulation

NASA Technical Reports Server (NTRS)

Fijany, Amir; Scheid, Robert E.

1991-01-01

Report discusses applicability of conjugate-gradient algorithms to computation of forward dynamics of robotic manipulators. Rapid computation of forward dynamics essential to teleoperation and other advanced robotic applications. Part of continuing effort to find algorithms meeting requirements for increased computational efficiency and speed. Method used for iterative solution of systems of linear equations.

Generalized modification in the lattice Bhatnagar-Gross-Krook model for incompressible Navier-Stokes equations and convection-diffusion equations.

PubMed

Yang, Xuguang; Shi, Baochang; Chai, Zhenhua

2014-07-01

In this paper, two modified lattice Boltzmann Bhatnagar-Gross-Krook (LBGK) models for incompressible Navier-Stokes equations and convection-diffusion equations are proposed via the addition of correction terms in the evolution equations. Utilizing this modification, the value of the dimensionless relaxation time in the LBGK model can be kept in a proper range, and thus the stability of the LBGK model can be improved. Although some gradient operators are included in the correction terms, they can be computed efficiently using local computational schemes such that the present LBGK models still retain the intrinsic parallelism characteristic of the lattice Boltzmann method. Numerical studies of the steady Poiseuille flow and unsteady Womersley flow show that the modified LBGK model has a second-order convergence rate in space, and the compressibility effect in the common LBGK model can be eliminated. In addition, to test the stability of the present models, we also performed some simulations of the natural convection in a square cavity, and we found that the results agree well with those reported in the previous work, even at a very high Rayleigh number (Ra = 10(12)).

Lattice Boltzmann simulations of heat transfer in fully developed periodic incompressible flows

NASA Astrophysics Data System (ADS)

Wang, Zimeng; Shang, Helen; Zhang, Junfeng

2017-06-01

Flow and heat transfer in periodic structures are of great interest for many applications. In this paper, we carefully examine the periodic features of fully developed periodic incompressible thermal flows, and incorporate them in the lattice Boltzmann method (LBM) for flow and heat transfer simulations. Two numerical approaches, the distribution modification (DM) approach and the source term (ST) approach, are proposed; and they can both be used for periodic thermal flows with constant wall temperature (CWT) and surface heat flux boundary conditions. However, the DM approach might be more efficient, especially for CWT systems since the ST approach requires calculations of the streamwise temperature gradient at all lattice nodes. Several example simulations are conducted, including flows through flat and wavy channels and flows through a square array with circular cylinders. Results are compared to analytical solutions, previous studies, and our own LBM calculations using different simulation techniques (i.e., the one-module simulation vs. the two-module simulation, and the DM approach vs. the ST approach) with good agreement. These simple, however, representative simulations demonstrate the accuracy and usefulness of our proposed LBM methods for future thermal periodic flow simulations.

From Networks to Time Series

NASA Astrophysics Data System (ADS)

Shimada, Yutaka; Ikeguchi, Tohru; Shigehara, Takaomi

2012-10-01

In this Letter, we propose a framework to transform a complex network to a time series. The transformation from complex networks to time series is realized by the classical multidimensional scaling. Applying the transformation method to a model proposed by Watts and Strogatz [Nature (London) 393, 440 (1998)], we show that ring lattices are transformed to periodic time series, small-world networks to noisy periodic time series, and random networks to random time series. We also show that these relationships are analytically held by using the circulant-matrix theory and the perturbation theory of linear operators. The results are generalized to several high-dimensional lattices.

A lattice hydrodynamic model based on delayed feedback control considering the effect of flow rate difference

NASA Astrophysics Data System (ADS)

Wang, Yunong; Cheng, Rongjun; Ge, Hongxia

2017-08-01

In this paper, a lattice hydrodynamic model is derived considering not only the effect of flow rate difference but also the delayed feedback control signal which including more comprehensive information. The control method is used to analyze the stability of the model. Furthermore, the critical condition for the linear steady traffic flow is deduced and the numerical simulation is carried out to investigate the advantage of the proposed model with and without the effect of flow rate difference and the control signal. The results are consistent with the theoretical analysis correspondingly.

A new lattice hydrodynamic model based on control method considering the flux change rate and delay feedback signal

NASA Astrophysics Data System (ADS)

Qin, Shunda; Ge, Hongxia; Cheng, Rongjun

2018-02-01

In this paper, a new lattice hydrodynamic model is proposed by taking delay feedback and flux change rate effect into account in a single lane. The linear stability condition of the new model is derived by control theory. By using the nonlinear analysis method, the mKDV equation near the critical point is deduced to describe the traffic congestion. Numerical simulations are carried out to demonstrate the advantage of the new model in suppressing traffic jam with the consideration of flux change rate effect in delay feedback model.

An exact solution for the steady state phase distribution in an array of oscillators coupled on a hexagonal lattice

NASA Technical Reports Server (NTRS)

Pogorzelski, Ronald J.

2004-01-01

When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.

Minimally doubled fermions at one loop

NASA Astrophysics Data System (ADS)

Capitani, Stefano; Weber, Johannes; Wittig, Hartmut

2009-10-01

Minimally doubled fermions have been proposed as a cost-effective realization of chiral symmetry at non-zero lattice spacing. Using lattice perturbation theory at one loop, we study their renormalization properties. Specifically, we investigate the consequences of the breaking of hyper-cubic symmetry, which is a typical feature of this class of fermionic discretizations. Our results for the quark self-energy indicate that the four-momentum undergoes a renormalization which is linearly divergent. We also compute renormalization factors for quark bilinears, construct the conserved vector and axial-vector currents and verify that at one loop the renormalization factors of the latter are equal to one.

Stochastic series expansion simulation of the t -V model

NASA Astrophysics Data System (ADS)

Wang, Lei; Liu, Ye-Hua; Troyer, Matthias

2016-04-01

We present an algorithm for the efficient simulation of the half-filled spinless t -V model on bipartite lattices, which combines the stochastic series expansion method with determinantal quantum Monte Carlo techniques widely used in fermionic simulations. The algorithm scales linearly in the inverse temperature, cubically with the system size, and is free from the time-discretization error. We use it to map out the finite-temperature phase diagram of the spinless t -V model on the honeycomb lattice and observe a suppression of the critical temperature of the charge-density-wave phase in the vicinity of a fermionic quantum critical point.

Development and implementation of an 84-channel matrix gradient coil.

PubMed

Littin, Sebastian; Jia, Feng; Layton, Kelvin J; Kroboth, Stefan; Yu, Huijun; Hennig, Jürgen; Zaitsev, Maxim

2018-02-01

Design, implement, integrate, and characterize a customized coil system that allows for generating spatial encoding magnetic fields (SEMs) in a highly-flexible fashion. A gradient coil with a high number of individual elements was designed. Dimensions of the coil were chosen to mimic a whole-body gradient system, scaled down to a head insert. Mechanical shape and wire layout of each element were optimized to increase the local gradient strength while minimizing eddy current effects and simultaneously considering manufacturing constraints. Resulting wire layout and mechanical design is presented. A prototype matrix gradient coil with 12 × 7 = 84 elements consisting of two element types was realized and characterized. Measured eddy currents are <1% of the original field. The coil is shown to be capable of creating nonlinear, and linear SEMs. In a DSV of 0.22 m gradient strengths between 24 mT∕m and 78 mT∕m could be realized locally with maximum currents of 150 A. Initial proof-of-concept imaging experiments using linear and nonlinear encoding fields are demonstrated. A shielded matrix gradient coil setup capable of generating encoding fields in a highly-flexible manner was designed and implemented. The presented setup is expected to serve as a basis for validating novel imaging techniques that rely on nonlinear spatial encoding fields. Magn Reson Med 79:1181-1191, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Gradient-Induced Voltages on 12-Lead ECGs during High Duty-Cycle MRI Sequences and a Method for Their Removal considering Linear and Concomitant Gradient Terms

PubMed Central

Zhang, Shelley HuaLei; Ho Tse, Zion Tsz; Dumoulin, Charles L.; Kwong, Raymond Y.; Stevenson, William G.; Watkins, Ronald; Ward, Jay; Wang, Wei; Schmidt, Ehud J.

2015-01-01

Purpose To restore 12-lead ECG signal fidelity inside MRI by removing magnetic-field gradient induced-voltages during high gradient-duty-cycle sequences. Theory and Methods A theoretical equation was derived, providing first- and second-order electrical fields induced at individual ECG electrode as a function of gradient fields. Experiments were performed at 3T on healthy volunteers, using a customized acquisition system which captured full amplitude and frequency response of ECGs, or a commercial recording system. The 19 equation coefficients were derived by linear regression of data from accelerated sequences, and used to compute induced-voltages in real-time during full-resolution sequences to remove ECG artifacts. Restored traces were evaluated relative to ones acquired without imaging. Results Measured induced-voltages were 0.7V peak-to-peak during balanced Steady-State Free Precession (bSSFP) with heart at the isocenter. Applying the equation during gradient echo sequencing, three-dimensional fast spin echo and multi-slice bSSFP imaging restored nonsaturated traces and second-order concomitant terms showed larger contributions in electrodes farther from the magnet isocenter. Equation coefficients are evaluated with high repeatability (ρ = 0.996) and are subject, sequence, and slice-orientation dependent. Conclusion Close agreement between theoretical and measured gradient-induced voltages allowed for real-time removal. Prospective estimation of sequence-periods where large induced-voltages occur may allow hardware removal of these signals. PMID:26101951

Transverse ac-driven and geometric ratchet effects for vortices in conformal crystal pinning arrays

DOE PAGES

Reichhardt, Charles; Reichhardt, Cynthia Jane Olsen

2016-02-11

A conformal pinning array is created by taking a conformal transformation of a uniform hexagonal lattice to create a structure in which the sixfold ordering of the original lattice is preserved but which has a spatial gradient in the pinning site density. With a series of conformal arrays it is possible to create asymmetric substrates, and it was previously shown that when an ac drive is applied parallel to the asymmetry direction, a pronounced ratchet effect occurs with a net dc flow of vortices in the same direction as the ac drive. Here, in this article, we show that whenmore » the ac drive is applied perpendicular to the substrate asymmetry direction, it is possible to realize a transverse ratchet effect where a net dc flow of vortices is generated perpendicular to the ac drive. The conformal transverse ratchet effect is distinct from previous versions of transverse ratchets in that it occurs due to the generation of non-Gaussian transverse vortex velocity fluctuations by the plastic motion of vortices, so that the system behaves as a noise correlation ratchet. The transverse ratchet effect is much more pronounced in the conformal arrays than in random gradient arrays and is absent in square gradient arrays due the different nature of the vortex flow in each geometry. We show that a series of reversals can occur in the transverse ratchet effect due to changes in the vortex flow across the pinning gradient as a function of vortex filling, pinning strength, and ac amplitude. We also consider the case where a dc drive applied perpendicular to the substrate asymmetry direction generates a net flow of vortices perpendicular to the dc drive, producing what is known as a geometric or drift ratchet that again arises due to non-Gaussian dynamically generated fluctuations. The drift ratchet is more efficient than the ac driven ratchet and also exhibits a series of reversals for varied parameters. Lastly, our results should be general to a wide class of systems undergoing nonequilibrium dynamics on conformal substrates, such as colloidal particles on optical traps.« less

Understanding Lymphatic Valve Function via Computational Modeling

NASA Astrophysics Data System (ADS)

Wolf, Ki; Nepiyushchikh, Zhanna; Razavi, Mohammad; Dixon, Brandon; Alexeev, Alexander

2017-11-01

The lymphatic system is a crucial part to the circulatory system with many important functions, such as transport of interstitial fluid, fatty acid, and immune cells. Lymphatic vessels' contractile walls and valves allow lymph flow against adverse pressure gradients and prevent back flow. Yet, the effect of lymphatic valves' geometric and mechanical properties to pumping performance and lymphatic dysfunctions like lymphedema is not well understood. Our coupled fluid-solid computational model based on lattice Boltzmann model and lattice spring model investigates the dynamics and effectiveness of lymphatic valves in resistance minimization, backflow prevention, and viscoelastic response under different geometric and mechanical properties, suggesting the range of lymphatic valve parameters with effective pumping performance. Our model also provides more physiologically relevant relations of the valve response under varied conditions to a lumped parameter model of the lymphatic system giving an integrative insight into lymphatic system performance, including its failure due to diseases. NSF CMMI-1635133.

Diffusive and martensitic nucleation kinetics in solid-solid transitions of colloidal crystals

NASA Astrophysics Data System (ADS)

Peng, Yi; Li, Wei; Wang, Feng; Still, Tim; Yodh, Arjun G.; Han, Yilong

2017-05-01

Solid-solid transitions between crystals follow diffusive nucleation, or various diffusionless transitions, but these kinetics are difficult to predict and observe. Here we observed the rich kinetics of transitions from square lattices to triangular lattices in tunable colloidal thin films with single-particle dynamics by video microscopy. Applying a small pressure gradient in defect-free regions or near dislocations markedly transform the diffusive nucleation with an intermediate-stage liquid into a martensitic generation and oscillation of dislocation pairs followed by a diffusive nucleus growth. This transformation is neither purely diffusive nor purely martensitic as conventionally assumed but a combination thereof, and thus presents new challenges to both theory and the empirical criterion of martensitic transformations. We studied how pressure, density, grain boundary, triple junction and interface coherency affect the nucleus growth, shape and kinetic pathways. These novel microscopic kinetics cast new light on control solid-solid transitions and microstructural evolutions in polycrystals.

Incommensurate to commensurate antiferromagnetism in CeRhAl 4 Si 2 : An Al 27 NMR study

DOE PAGES

Sakai, Hironori; Hattori, T.; Tokunaga, Y.; ...

2016-01-04

27Al nuclear magnetic resonance (NMR) experiments have been performed on a single crystal of CeRhAl 4Si 2, which is an antiferromagnetic Kondo-lattice compound with successive antiferromagnetic transitions of T N1 = 14 K and T N2 = 9 K at zero external field. In the paramagnetic state, the Knight shifts, quadrupolar frequency, and asymmetric parameter of electrical field gradient on the Al sites have been determined, which have local orthorhombic symmetry. The transferred hyperfine coupling constants are also determined. Here, analysis of the NMR spectra indicates that a commensurate antiferromagnetic structure exists below T N2, but an incommensurate modulation ofmore » antiferromagnetic moments is present in the antiferromagnetic state between T N1 and T N2. The spin-lattice relaxation rate suggests that the 4f electrons behave as local moments at temperatures above T N1.« less

First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

NASA Astrophysics Data System (ADS)

Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

2018-04-01

Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

Hadron spectrum of quenched QCD on a 32{sup 3} {times} 64 lattice

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

Kim, Seyong; Sinclair, D.K.

1992-10-01

Preliminary results from a hadron spectrum calculation of quenched Quantumchromodynamics on a 32{sup 3} {times} 64 lattice at {beta} = 6.5 are reported. The hadron spectrum calculation is done with staggered quarks of masses, m{sub q}a = 0.001, 0.005 and 0.0025. We use two different sources in order to be able to extract the {Delta} mass in addition to the usual local light hadron masses. The numerical simulation is executed on the Intel Touchstone Delta computer. The peak speed of the Delta for a 16 {times} 32 mesh configuration is 41 Gflops for 32 bit precision. The sustained speed formore » our updating code is 9.5 Gflops. A multihit metropolis algorithm combined with an over-relaxation method is used in the updating and the conjugate gradient method is employed for Dirac matrix inversion. Configurations are stored every 1000 sweeps.« less

Hadron spectrum of quenched QCD on a 32[sup 3] [times] 64 lattice

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

Kim, Seyong; Sinclair, D.K.

1992-10-01

Preliminary results from a hadron spectrum calculation of quenched Quantumchromodynamics on a 32[sup 3] [times] 64 lattice at [beta] = 6.5 are reported. The hadron spectrum calculation is done with staggered quarks of masses, m[sub q]a = 0.001, 0.005 and 0.0025. We use two different sources in order to be able to extract the [Delta] mass in addition to the usual local light hadron masses. The numerical simulation is executed on the Intel Touchstone Delta computer. The peak speed of the Delta for a 16 [times] 32 mesh configuration is 41 Gflops for 32 bit precision. The sustained speed formore » our updating code is 9.5 Gflops. A multihit metropolis algorithm combined with an over-relaxation method is used in the updating and the conjugate gradient method is employed for Dirac matrix inversion. Configurations are stored every 1000 sweeps.« less

Diffusive and martensitic nucleation kinetics in solid-solid transitions of colloidal crystals

PubMed Central

Peng, Yi; Li, Wei; Wang, Feng; Still, Tim; Yodh, Arjun G.; Han, Yilong

2017-01-01

Solid–solid transitions between crystals follow diffusive nucleation, or various diffusionless transitions, but these kinetics are difficult to predict and observe. Here we observed the rich kinetics of transitions from square lattices to triangular lattices in tunable colloidal thin films with single-particle dynamics by video microscopy. Applying a small pressure gradient in defect-free regions or near dislocations markedly transform the diffusive nucleation with an intermediate-stage liquid into a martensitic generation and oscillation of dislocation pairs followed by a diffusive nucleus growth. This transformation is neither purely diffusive nor purely martensitic as conventionally assumed but a combination thereof, and thus presents new challenges to both theory and the empirical criterion of martensitic transformations. We studied how pressure, density, grain boundary, triple junction and interface coherency affect the nucleus growth, shape and kinetic pathways. These novel microscopic kinetics cast new light on control solid–solid transitions and microstructural evolutions in polycrystals. PMID:28504246

Effects of S and N doping on the structural, magnetic and electronic properties of rutile CrO2

NASA Astrophysics Data System (ADS)

Xie, You; Zhou, An-Ning; Sun, Kai-Gang; Zhang, Ya-Ting; Huo, Yi-Ping; Wang, Su-Fang; Zhang, Jian-Min

2016-05-01

Magnetic and electronic properties of S- and N-doped CrO2 are studied by using the first-principle projector augmented wave potential within the generalized gradient approximation. The optimized lattice constants for CrO2 agree well with the previous work. With increasing S doping (N doping), the lattice constants of CrO2-xSx (CrO2-xNx) (x=0.5, 1 and 1.5) all increase (decrease), While these compounds remain the tetragonal structure. CrO1.5S0.5, CrO1.5N0.5 and CrON compounds remain the half-metallicity, while the band gap is determined by different factors. It is also found that the change of the total magnetic moment with equivalent atom S doping in CrO2 compound is small except for x=1.

Sensitivity of airborne fluorosensor measurements to linear vertical gradients in chlorophyll concentration

NASA Technical Reports Server (NTRS)

Venable, D. D.; Punjabi, A. R.; Poole, L. R.

1984-01-01

A semianalytic Monte Carlo radiative transfer simulation model for airborne laser fluorosensors has been extended to investigate the effects of inhomogeneities in the vertical distribution of phytoplankton concentrations in clear seawater. Simulation results for linearly varying step concentrations of chlorophyll are presented. The results indicate that statistically significant differences can be seen under certain conditions in the water Raman-normalized fluorescence signals between nonhomogeneous and homogeneous cases. A statistical test has been used to establish ranges of surface concentrations and/or verticl gradients in which calibration by surface samples would by inappropriate, and the results are discussed.

Ab initio electronic structure calculations for metallic intermediate band formation in photovoltaic materials

NASA Astrophysics Data System (ADS)

Wahnón, P.; Tablero, C.

2002-04-01

A metallic isolated band in the middle of the band gap of several III-V semiconductors has been predicted as photovoltaic materials with the possibility of providing substantially enhanced efficiencies. We have investigated the electronic band structures and lattice constants of GanAsmM and GanPmM with M=Sc, Ti, V, and Cr, to identify whether this isolated band is likely to exist by means of accurate calculations. For this task, we use the SIESTA program, an ab initio periodic density-functional method, fully self consistent in the local-density approximation. Norm-conserving, nonlocal pseudopotentials and confined linear combination of atomic orbitals have been used. We have carried out a case study of GanAsmTi and GanPmTi energy-band structure including analyses of the effect of the basis set, fine k-point mesh to ensure numerical convergence, structural parameters, and generalized gradient approximation for exchange and correlation corrections. We find the isolated intermediate band when one Ti atom replaces the position of one As (or P) atom in the crystal structure. For this kind of compound we show that the intermediate band relative position inside the band gap and width are sensitive to the dynamic relaxation of the crystal and the size of the basis set.

Effects of local adaptation and interspecific competition on species' responses to climate change.

PubMed

Bocedi, Greta; Atkins, Katherine E; Liao, Jishan; Henry, Roslyn C; Travis, Justin M J; Hellmann, Jessica J

2013-09-01

Local adaptation and species interactions have been shown to affect geographic ranges; therefore, we need models of climate impact that include both factors. To identify possible dynamics of species when including these factors, we ran simulations of two competing species using an individual-based, coupled map-lattice model using a linear climatic gradient that varies across latitude and is warmed over time. Reproductive success is governed by an individual's adaptation to local climate as well as its location relative to global constraints. In exploratory experiments varying the strength of adaptation and competition, competition reduces genetic diversity and slows range change, although the two species can coexist in the absence of climate change and shift in the absence of competitors. We also found that one species can drive the other to extinction, sometimes long after climate change ends. Weak selection on local adaptation and poor dispersal ability also caused surfing of cooler-adapted phenotypes from the expanding margin backwards, causing loss of warmer-adapted phenotypes. Finally, geographic ranges can become disjointed, losing centrally-adapted genotypes. These initial results suggest that the interplay between local adaptation and interspecific competition can significantly influence species' responses to climate change, in a way that demands future research. © 2013 New York Academy of Sciences.

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1-x ternary alloys

NASA Astrophysics Data System (ADS)

Oumelaz, F.; Nemiri, O.; Boumaza, A.; Ghemid, S.; Meradji, H.; Bin Omran, S.; El Haj Hassan, F.; Rai, D. P.; Khenata, R.

2018-06-01

In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1-x ternary alloys. Our calculations are performed with the WIEN2k code based on density functional theory using the full-potential linearized augmented plane wave method. For the electron exchange-correlation potential, a generalized gradient approximation within Wu-Cohen scheme is considered. The recently developed Tran-Blaha modified Becke-Johnson potential has also been used to improve the underestimated band gap. The structural properties, including the lattice constants, the bulk moduli and their pressure derivatives are in very good agreement with the available experimental data and theoretical results. Several structural phase transitions were studied here to establish the stable structure and to predict the phase transition under hydrostatic pressure. The computed transition pressure (Pt) of the material of our interest from the zinc blende (B3) to the rock salt (B1) phase has been determined and found to agree well with the experimental and theoretical data. The calculated band structure shows that GaSb binary compound and the ternary alloys are direct band gap semiconductors. Optical parameters such as the dielectric constants and the refractive indices are calculated and analyzed. The thermodynamic results are also interpreted and analyzed.

Engel-Vosko GGA calculations of the structural, electronic and optical properties of LiYO2

NASA Astrophysics Data System (ADS)

Muhammad, Nisar; Khan, Afzal; Haidar Khan, Shah; Sajjaj Siraj, Muhammad; Shah, Syed Sarmad Ali; Murtaza, Ghulam

2017-09-01

Structural, electronic and optical properties of lithium yttrium oxide (LiYO2) are investigated using density functional theory (DFT). These calculations are based on full potential linearized augmented plane wave (FP-LAPW) method implemented by WIEN2k. The generalized gradient approximation (GGA) is used as an exchange correlation potential with Perdew-Burk-Ernzerhof (PBE) and Engel-Vosko (EV) as exchange correlation functional. The structural properties are calculated with PBE-GGA as it gives the equilibrium lattice constants very close to the experimental values. While, the band structure and optical properties are calculated with EV-GGA obtain much closer results to their experimental values. Our calculations confirm LiYO2 as large indirect band gap semiconductor having band gap of 5.23 eV exhibiting the characteristics of ultrawide band gap materials showing the properties like higher critical breakdown field, higher temperature operation and higher radiation tolerance. In this article, we report the density of states (DOS) in terms of contribution from s, p, and d-states of the constituent atoms, the band structure, the electronic structure, and the frequency-dependent optical properties of LiYO2. The optical properties presented in this article reveal LiYO2 a suitable candidate for the field of optoelectronic and optical devices.

High gradient RF test results of S-band and C-band cavities for medical linear accelerators

DOE PAGES

Degiovanni, A.; Bonomi, R.; Garlasche, M.; ...

2018-02-09

TERA Foundation has proposed and designed hadrontherapy facilities based on novel linacs, i.e. high gradient linacs which accelerate either protons or light ions. The overall length of the linac, and therefore its cost, is almost inversely proportional to the average accelerating gradient. With the scope of studying the limiting factors for high gradient operation and to optimize the linac design, TERA, in collaboration with the CLIC Structure Development Group, has conducted a series of high gradient experiments. The main goals were to study the high gradient behavior and to evaluate the maximum gradient reached in 3 and 5.7 GHz structuresmore » to direct the design of medical accelerators based on high gradient linacs. Lastly, this paper summarizes the results of the high power tests of 3.0 and 5.7 GHz single-cell cavities.« less

High gradient RF test results of S-band and C-band cavities for medical linear accelerators

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

Degiovanni, A.; Bonomi, R.; Garlasche, M.

TERA Foundation has proposed and designed hadrontherapy facilities based on novel linacs, i.e. high gradient linacs which accelerate either protons or light ions. The overall length of the linac, and therefore its cost, is almost inversely proportional to the average accelerating gradient. With the scope of studying the limiting factors for high gradient operation and to optimize the linac design, TERA, in collaboration with the CLIC Structure Development Group, has conducted a series of high gradient experiments. The main goals were to study the high gradient behavior and to evaluate the maximum gradient reached in 3 and 5.7 GHz structuresmore » to direct the design of medical accelerators based on high gradient linacs. Lastly, this paper summarizes the results of the high power tests of 3.0 and 5.7 GHz single-cell cavities.« less

Role of turbulence regime on determining the local density gradient

DOE PAGES

Wang, X.; Mordijck, Saskia; Doyle, E. J.; ...

2017-11-16

In this study we show that the local density gradient in the plasma core depends on the calculated mode-frequency of the most unstable linear mode and reaches a maximum when this frequency is close to zero. Previous theoretical and experimental work on AUG has shown that the ratio of electron to ion temperature, and as such the frequency of the dominant linear gyrokinetic mode, affects the local density gradient close to ρ = 0.3 [1, 2]. On DIII-D we find that by adding Electron Cyclotron Heating (ECH), we modify the dominant unstable linear gyro kinetic mode from an Ion Temperaturemore » Gradient (ITG) mode to a Trapped Electron Mode (TEM), which means that the frequency of the dominant mode changes sign (from the ion to the electron direction). Local density peaking around mid-radius increases by 50% right around the cross-over between the ITG and TEM regimes. By comparing how the particle flux changes, through the derivative of the electron density, n e, with respect to time, ∂n e/∂t, we find that the particle flux also exhibits the same trend versus mode frequency. As a result, we find that the changes in local particle transport are inversely proportional to the changes in electron density, indicating that the changes are driven by a change in thermo-diffusive pinch.« less

Algorithm for ion beam figuring of low-gradient mirrors.

PubMed

Jiao, Changjun; Li, Shengyi; Xie, Xuhui

2009-07-20

Ion beam figuring technology for low-gradient mirrors is discussed. Ion beam figuring is a noncontact machining technique in which a beam of high-energy ions is directed toward a target workpiece to remove material in a predetermined and controlled fashion. Owing to this noncontact mode of material removal, problems associated with tool wear and edge effects, which are common in conventional contact polishing processes, are avoided. Based on the Bayesian principle, an iterative dwell time algorithm for planar mirrors is deduced from the computer-controlled optical surfacing (CCOS) principle. With the properties of the removal function, the shaping process of low-gradient mirrors can be approximated by the linear model for planar mirrors. With these discussions, the error surface figuring technology for low-gradient mirrors with a linear path is set up. With the near-Gaussian property of the removal function, the figuring process with a spiral path can be described by the conventional linear CCOS principle, and a Bayesian-based iterative algorithm can be used to deconvolute the dwell time. Moreover, the selection criterion of the spiral parameter is given. Ion beam figuring technology with a spiral scan path based on these methods can be used to figure mirrors with non-axis-symmetrical errors. Experiments on SiC chemical vapor deposition planar and Zerodur paraboloid samples are made, and the final surface errors are all below 1/100 lambda.

Kinetic water-bag model of global collisional drift waves and ion temperature gradient instabilities in cylindrical geometry

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

Gravier, E.; Plaut, E.

2013-04-15

Collisional drift waves and ion temperature gradient (ITG) instabilities are studied using a linear water-bag kinetic model [P. Morel et al., Phys. Plasmas 14, 112109 (2007)]. An efficient spectral method, already validated in the case of drift waves instabilities [E. Gravier et al., Eur. Phys. J. D 67, 7 (2013)], allows a fast solving of the global linear problem in cylindrical geometry. The comparison between the linear ITG instability properties thus computed and the ones given by the COLUMBIA experiment [R. G. Greaves et al., Plasma Phys. Controlled Fusion 34, 1253 (1992)] shows a qualitative agreement. Moreover, the transition betweenmore » collisional drift waves and ITG instabilities is studied theoretically as a function of the ion temperature profile.« less

Expressions of the fundamental equation of gradient elution and a numerical solution of these equations under any gradient profile.

PubMed

Nikitas, P; Pappa-Louisi, A

2005-09-01

The original work carried out by Freiling and Drake in gradient liquid chromatography is rewritten in the current language of reversed-phase liquid chromatography. This allows for the rigorous derivation of the fundamental equation for gradient elution and the development of two alternative expressions of this equation, one of which is free from the constraint that the holdup time must be constant. In addition, the above derivation results in a very simple numerical solution of the various equations of gradient elution under any gradient profile. The theory was tested using eight catechol-related solutes in mobile phases modified with methanol, acetonitrile, or 2-propanol. It was found to be a satisfactory prediction of solute gradient retention behavior even if we used a simple linear description for the isocratic elution of these solutes.

Radar observations of density gradients, electric fields, and plasma irregularities near polar cap patches in the context of the gradient-drift instability

NASA Astrophysics Data System (ADS)

Lamarche, Leslie J.; Makarevich, Roman A.

2017-03-01

We present observations of plasma density gradients, electric fields, and small-scale plasma irregularities near a polar cap patch made by the Super Dual Auroral Radar Network radar at Rankin Inlet (RKN) and the northern face of Resolute Bay Incoherent Scatter Radar (RISR-N). RKN echo power and occurrence are analyzed in the context of gradient-drift instability (GDI) theory, with a particular focus on the previously uninvestigated 2-D dependencies on wave propagation, electric field, and gradient vectors, with the latter two quantities evaluated directly from RISR-N measurements. It is shown that higher gradient and electric field components along the wave vector generally lead to the higher observed echo occurrence, which is consistent with the expected higher GDI growth rate, but the relationship with echo power is far less straightforward. The RKN echo power increases monotonically as the predicted linear growth rate approaches zero from negative values but does not continue this trend into positive growth rate values, in contrast with GDI predictions. The observed greater consistency of echo occurrence with GDI predictions suggests that GDI operating in the linear regime can control basic plasma structuring, but measured echo strength may be affected by other processes and factors, such as multistep or nonlinear processes or a shear-driven instability.

Fully kinetic Biermann battery and associated generation of pressure anisotropy

NASA Astrophysics Data System (ADS)

Schoeffler, K. M.; Loureiro, N. F.; Silva, L. O.

2018-03-01

The dynamical evolution of a fully kinetic, collisionless system with imposed background density and temperature gradients is investigated analytically. The temperature gradient leads to the generation of temperature anisotropy, with the temperature along the gradient becoming larger than that in the direction perpendicular to it. This causes the system to become unstable to pressure anisotropy driven instabilities, dominantly to the electron Weibel instability. When both density and temperature gradients are present and nonparallel to each other, we obtain a Biermann-like linear-in-time magnetic field growth. Accompanying particle-in-cell numerical simulations are shown to confirm our analytical results.

A fast random walk algorithm for computing the pulsed-gradient spin-echo signal in multiscale porous media.

PubMed

Grebenkov, Denis S

2011-02-01

A new method for computing the signal attenuation due to restricted diffusion in a linear magnetic field gradient is proposed. A fast random walk (FRW) algorithm for simulating random trajectories of diffusing spin-bearing particles is combined with gradient encoding. As random moves of a FRW are continuously adapted to local geometrical length scales, the method is efficient for simulating pulsed-gradient spin-echo experiments in hierarchical or multiscale porous media such as concrete, sandstones, sedimentary rocks and, potentially, brain or lungs. Copyright © 2010 Elsevier Inc. All rights reserved.

The effects of thermal gradients on the Mars Observer Camera primary mirror

NASA Technical Reports Server (NTRS)

Applewhite, Roger W.; Telkamp, Arthur R.

1992-01-01

The paper discusses the effect of thermal gradients on the optical performance of the primary mirror of Mars Observer Camera (MOC), which will be launched on the Mars Observer spacecraft in September 1992. It was found that mild temperature gradients can have a large effect on the mirror surface figure, even for relatively low coefficient-of-thermal-expansion materials. However, in the case of the MOC primary mirror, it was found that the radius of curvature (ROC) of the reflective surface of the mirror changed in a nearly linear fashion with the radial temperature gradient, with little additional aberration. A solid-state ROC controller using the thermal gradient effect was implemented and verified.

Altered myofilament structure and function in dogs with Duchenne muscular dystrophy cardiomyopathy

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

Ait Mou, Younss; Lacampagne, Alain; Irving, Thomas

Aim Duchenne Muscular Dystrophy (DMD) is associated with progressive depressed left ventricular (LV) function. However, DMD effects on myofilament structure and function are poorly understood. Golden Retriever Muscular Dystrophy (GRMD) is a dog model of DMD recapitulating the human form of DMD. Objective The objective of this study is to evaluate myofilament structure and function alterations in GRMD model with spontaneous cardiac failure. Methods and results We have employed synchrotron X-rays diffraction to evaluate myofilament lattice spacing at various sarcomere lengths (SL) on permeabilized LV myocardium. We found a negative correlation between SL and lattice spacing in both sub-epicardium (EPI)more » and sub-endocardium (ENDO) LV layers in control dog hearts. In the ENDO of GRMD hearts this correlation is steeper due to higher lattice spacing at short SL (1.9 μm). Furthermore, cross-bridge cycling indexed by the kinetics of tension redevelopment (ktr) was faster in ENDO GRMD myofilaments at short SL. We measured post-translational modifications of key regulatory contractile proteins. S-glutathionylation of cardiac Myosin Binding Protein-C (cMyBP-C) was unchanged and PKA dependent phosphorylation of the cMyBP-C was significantly reduced in GRMD ENDO tissue and more modestly in EPI tissue. Conclusions We found a gradient of contractility in control dogs' myocardium that spreads across the LV wall, negatively correlated with myofilament lattice spacing. Chronic stress induced by dystrophin deficiency leads to heart failure that is tightly associated with regional structural changes indexed by increased myofilament lattice spacing, reduced phosphorylation of regulatory proteins and altered myofilament contractile properties in GRMD dogs.« less

Quantification of local strain distributions in nanoscale strained SiGe FinFET structures

NASA Astrophysics Data System (ADS)

Mochizuki, Shogo; Murray, Conal E.; Madan, Anita; Pinto, Teresa; Wang, Yun-Yu; Li, Juntao; Weng, Weihao; Jagannathan, Hemanth; Imai, Yasuhiko; Kimura, Shigeru; Takeuchi, Shotaro; Sakai, Akira

2017-10-01

Strain within nanoscale strained SiGe FinFET structures has been investigated using a combination of X-ray diffraction and transmission electron microscopy-based nanobeam diffraction (NBD) techniques to reveal the evolution of the stress state within the FinFETs. Reciprocal space maps collected using high-resolution X-ray diffraction exhibited distinct features corresponding to the SiGe fin width, pitch, and lattice deformation and were analyzed to quantify the state of stress within the fins. Although the majority of the SiGe fin volume exhibited a uniaxial stress state due to elastic relaxation of the transverse in-plane stress, NBD measurements confirmed a small interaction region near the SOI interface that is mechanically constrained by the underlying substrate. We have quantitatively characterized the evolution of the fin stress state from biaxial to uniaxial as a function of fin aspect ratio and Ge fraction and confirmed that the fins obey elastic deformation based on a model that depends on the relative difference between the equilibrium Si and SiGe lattice constants and relative fraction of in-plane stress transverse to the SiGe fins. Spatially resolved, nanobeam X-ray diffraction measurements conducted near the SiGe fin edge indicate the presence of additional elastic relaxation from a uniaxial stress state to a fully relaxed state at the fin edge. Mapping of the lattice deformation within 500 nm of this fin edge by NBD revealed large gradients, particularly at the top corner of the fin. The values of the volume averaged lattice deformation obtained by nanoXRD and NBD are qualitatively consistent. Furthermore, the modulation of strain at the fin edge obtained by quantitative analysis of the nanoXRD results agrees with the lattice deformation profile obtained by NBD.

Assessing the role of the Kelvin-Helmholtz instability at the QCD cosmological transition

NASA Astrophysics Data System (ADS)

Mourão Roque, V. R. C.; Lugones, G.

2018-03-01

We performed numerical simulations with the PLUTO code in order to analyze the non-linear behavior of the Kelvin-Helmholtz instability in non-magnetized relativistic fluids. The relevance of the instability at the cosmological QCD phase transition was explored using an equation of state based on lattice QCD results with the addition of leptons. The results of the simulations were compared with the theoretical predictions of the linearized theory. For small Mach numbers up to Ms ~ 0.1 we find that both results are in good agreement. However, for higher Mach numbers, non-linear effects are significant. In particular, many initial conditions that look stable according to the linear analysis are shown to be unstable according to the full calculation. Since according to lattice calculations the cosmological QCD transition is a smooth crossover, violent fluid motions are not expected. Thus, in order to assess the role of the Kelvin-Helmholtz instability at the QCD epoch, we focus on simulations with low shear velocity and use monochromatic as well as random perturbations to trigger the instability. We find that the Kelvin-Helmholtz instability can strongly amplify turbulence in the primordial plasma and as a consequence it may increase the amount of primordial gravitational radiation. Such turbulence may be relevant for the evolution of the Universe at later stages and may have an impact in the stochastic gravitational wave background.

In Vitro Polarization of Colonoids to Create an Intestinal Stem Cell Compartment

PubMed Central

Attayek, Peter J.; Ahmad, Asad A.; Wang, Yuli; Williamson, Ian; Sims, Christopher E.; Magness, Scott T.; Allbritton, Nancy L.

2016-01-01

The polarity of proliferative and differentiated cellular compartments of colonic crypts is believed to be specified by gradients of key mitogens and morphogens. Indirect evidence demonstrates a tight correlation between Wnt- pathway activity and the basal-luminal patterning; however, to date there has been no direct experimental manipulation demonstrating that a chemical gradient of signaling factors can produce similar patterning under controlled conditions. In the current work, colonic organoids (colonoids) derived from cultured, multicellular organoid fragments or single stem cells were exposed in culture to steep linear gradients of two Wnt-signaling ligands, Wnt-3a and R-spondin1. The use of a genetically engineered Sox9-Sox9EGFP:CAGDsRED reporter gene mouse model and EdU-based labeling enabled crypt patterning to be quantified in the developing colonoids. Colonoids derived from multicellular fragments cultured for 5 days under a Wnt-3a or a combined Wnt-3a and R-spondin1 gradient were highly polarized with proliferative cells localizing to the region of the higher morphogen concentration. In a Wnt-3a gradient, Sox9EGFP polarization was 7.3 times greater than that of colonoids cultured in the absence of a gradient; and the extent of EdU polarization was 2.2 times greater than that in the absence of a gradient. Under a Wnt-3a/R-spondin1 gradient, Sox9EGFP polarization was 8.2 times greater than that of colonoids cultured in the absence of a gradient while the extent of EdU polarization was 10 times greater than that in the absence of a gradient. Colonoids derived from single stem cells cultured in Wnt-3a/R-spondin1 gradients were most highly polarized demonstrated by a Sox9EGFP polarization 20 times that of colonoids grown in the absence of a gradient. This data provides direct evidence that a linear gradient of Wnt signaling factors applied to colonic stem cells is sufficient to direct patterning of the colonoid unit in culture. PMID:27100890

Payload specialist Merbold performing experiment in Spacelab

NASA Image and Video Library

1983-11-28

STS009-13-699 (28 Nov - 8 Dec 1983) --? Ulf Merbold, Spacelab 1 payload specialist, carries out one of the experiments using the gradient heating facility on the materials science double rack facility in the busy science module aboard the Earth-orbiting Space Shuttle Columbia. Representing the European Space Agency, Dr. Merbold comes from Max-Planck Institute in Stuttgart, the Federal Republic of Germany. He is a specialist in crystal lattice defects and low temperature physics. The photograph was made with a 35mm camera.

Interactions between Canopy Structure and Herbaceous Biomass along Environmental Gradients in Moist Forest and Dry Miombo Woodland of Tanzania.

PubMed

Shirima, Deo D; Pfeifer, Marion; Platts, Philip J; Totland, Ørjan; Moe, Stein R

2015-01-01

We have limited understanding of how tropical canopy foliage varies along environmental gradients, and how this may in turn affect forest processes and functions. Here, we analyse the relationships between canopy leaf area index (LAI) and above ground herbaceous biomass (AGBH) along environmental gradients in a moist forest and miombo woodland in Tanzania. We recorded canopy structure and herbaceous biomass in 100 permanent vegetation plots (20 m × 40 m), stratified by elevation. We quantified tree species richness, evenness, Shannon diversity and predominant height as measures of structural variability, and disturbance (tree stumps), soil nutrients and elevation as indicators of environmental variability. Moist forest and miombo woodland differed substantially with respect to nearly all variables tested. Both structural and environmental variables were found to affect LAI and AGBH, the latter being additionally dependent on LAI in moist forest but not in miombo, where other factors are limiting. Combining structural and environmental predictors yielded the most powerful models. In moist forest, they explained 76% and 25% of deviance in LAI and AGBH, respectively. In miombo woodland, they explained 82% and 45% of deviance in LAI and AGBH. In moist forest, LAI increased non-linearly with predominant height and linearly with tree richness, and decreased with soil nitrogen except under high disturbance. Miombo woodland LAI increased linearly with stem density, soil phosphorous and nitrogen, and decreased linearly with tree species evenness. AGBH in moist forest decreased with LAI at lower elevations whilst increasing slightly at higher elevations. AGBH in miombo woodland increased linearly with soil nitrogen and soil pH. Overall, moist forest plots had denser canopies and lower AGBH compared with miombo plots. Further field studies are encouraged, to disentangle the direct influence of LAI on AGBH from complex interrelationships between stand structure, environmental gradients and disturbance in African forests and woodlands.

Tight-binding tunneling amplitude of an optical lattice

NASA Astrophysics Data System (ADS)

Arzamasovs, Maksims; Liu, Bo

2017-11-01

The particle in a periodic potential is an important topic in an undergraduate quantum mechanics curriculum and a stepping stone on the way to more advanced topics, such as courses on interacting electrons in crystalline solids, and graduate-level research in solid-state and condensed matter physics. The interacting many-body phenomena are usually described in terms of the second quantized lattice Hamiltonians which treat single-particle physics on the level of tight-binding approximation and add interactions on top of it. The aim of this paper is to show how the tight-binding tunneling amplitude can be related to the strength of the periodic potential for the case of a cosine potential used in the burgeoning field of ultracold atoms. We show how to approach the problem of computing the tunneling amplitude of a deep lattice using the JWKB (Jeffreys-Wentzel-Kramers-Brillouin, also known as semiclassical) approximation. We also point out that care should be taken when applying the method of the linear combination of atomic orbitals (LCAO) in an optical lattice context. A summary of the exact solution in terms of Mathieu functions is also given.

Nonlinear instabilities of multi-site breathers in Klein-Gordon lattices

DOE PAGES

Cuevas-Maraver, Jesus; Kevrekidis, Panayotis G.; Pelinovsky, Dmitry E.

2016-08-01

Here, we explore the possibility of multi-site breather states in a nonlinear Klein–Gordon lattice to become nonlinearly unstable, even if they are found to be spectrally stable. The mechanism for this nonlinear instability is through the resonance with the wave continuum of a multiple of an internal mode eigenfrequency in the linearization of excited breather states. For the nonlinear instability, the internal mode must have its Krein signature opposite to that of the wave continuum. This mechanism is not only theoretically proposed, but also numerically corroborated through two concrete examples of the Klein–Gordon lattice with a soft (Morse) and amore » hard (Φ 4) potential. Compared to the case of the nonlinear Schrödinger lattice, the Krein signature of the internal mode relative to that of the wave continuum may change depending on the period of the multi-site breather state. For the periods for which the Krein signatures of the internal mode and the wave continuum coincide, multi-site breather states are observed to be nonlinearly stable.« less

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

Influence of air humidity and the distance from the source on negative air ion concentration in indoor air.

PubMed

Wu, Chih Cheng; Lee, Grace W M; Yang, Shinhao; Yu, Kuo-Pin; Lou, Chia Ling

2006-10-15

Although negative air ionizer is commonly used for indoor air cleaning, few studies examine the concentration gradient of negative air ion (NAI) in indoor environments. This study investigated the concentration gradient of NAI at various relative humidities and distances form the source in indoor air. The NAI was generated by single-electrode negative electric discharge; the discharge was kept at dark discharge and 30.0 kV. The NAI concentrations were measured at various distances (10-900 cm) from the discharge electrode in order to identify the distribution of NAI in an indoor environment. The profile of NAI concentration was monitored at different relative humidities (38.1-73.6% RH) and room temperatures (25.2+/-1.4 degrees C). Experimental results indicate that the influence of relative humidity on the concentration gradient of NAI was complicated. There were four trends for the relationship between NAI concentration and relative humidity at different distances from the discharge electrode. The changes of NAI concentration with an increase in relative humidity at different distances were quite steady (10-30 cm), strongly declining (70-360 cm), approaching stability (420-450 cm) and moderately increasing (560-900 cm). Additionally, the regression analysis of NAI concentrations and distances from the discharge electrode indicated a logarithmic linear (log-linear) relationship; the distance of log-linear tendency (lambda) decreased with an increase in relative humidity such that the log-linear distance of 38.1% RH was 2.9 times that of 73.6% RH. Moreover, an empirical curve fit based on this study for the concentration gradient of NAI generated by negative electric discharge in indoor air was developed for estimating the NAI concentration at different relative humidities and distances from the source of electric discharge.

Reversed magnetic shear suppression of electron-scale turbulence on NSTX

NASA Astrophysics Data System (ADS)

Yuh, Howard Y.; Levinton, F. M.; Bell, R. E.; Hosea, J. C.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E.; Smith, D. R.; Domier, C. W.; Luhmann, N. C.; Park, H. K.

2009-11-01

Electron thermal internal transport barriers (e-ITBs) are observed in reversed (negative) magnetic shear NSTX discharges^1. These e-ITBs can be created with either neutral beam heating or High Harmonic Fast Wave (HHFW) RF heating. The e-ITB location occurs at the location of minimum magnetic shear determined by Motional Stark Effect (MSE) constrained equilibria. Statistical studies show a threshold condition in magnetic shear for e-ITB formation. High-k fluctuation measurements at electron turbulence wavenumbers^3 have been made under several different transport regimes, including a bursty regime that limits temperature gradients at intermediate magnetic shear. The growth rate of fluctuations has been calculated immediately following a change in the local magnetic shear, resulting in electron temperature gradient relaxation. Linear gyrokinetic simulation results for NSTX show that while measured electron temperature gradients exceed critical linear thresholds for ETG instability, growth rates can remain low under reversed shear conditions up to high electron temperatures gradients. ^1H. Yuh, et. al., PoP 16, 056120 ^2D.R. Smith, E. Mazzucato et al., RSI 75, 3840 ^3E. Mazzucato, D.R. Smith et al., PRL 101, 075001

High-efficiency tri-band quasi-continuous phase gradient metamaterials based on spoof surface plasmon polaritons

PubMed Central

Li, Yongfeng; Ma, Hua; Wang, Jiafu; Pang, Yongqiang; Zheng, Qiqi; Chen, Hongya; Han, Yajuan; Zhang, Jieqiu; Qu, Shaobo

2017-01-01

A high-efficiency tri-band quasi-continuous phase gradient metamaterial is designed and demonstrated based on spoof surface plasmon polaritons (SSPPs). High-efficiency polarizaiton conversion transmission is firstly achieved via tailoring phase differece between the transmisive SSPP and the space wave in orthogonal directions. As an example, a tri-band circular-to-circular (CTC) polarization conversion metamateiral (PCM) was designed by a nonlinearly dispersive phase difference. Using such PCM unit cell, a tri-band quasi-continuous phase gradient metamaterial (PGM) was then realized by virtue of the Pancharatnam-Berry phase. The distribution of the cross-polarization transmission phase along the x-direction is continuous except for two infinitely small intervals near the phases 0° and 360°, and thus the phase gradient has definition at any point along the x-direction. The simulated normalized polarization conversion transmission spectrums together with the electric field distributions for circularly polarized wave and linearly polarized wave demonstrated the high-efficiency anomalous refraction of the quasi-continuous PGM. The experimental verification for the linearly polarized incidence was also provided. PMID:28079185

X-ray absorption microtomography (microCT) and small beam diffraction mapping of sea urchin teeth.

PubMed

Stock, S R; Barss, J; Dahl, T; Veis, A; Almer, J D

2002-07-01

Two noninvasive X-ray techniques, laboratory X-ray absorption microtomography (microCT) and X-ray diffraction mapping, were used to study teeth of the sea urchin Lytechinus variegatus. MicroCT revealed low attenuation regions at near the tooth's stone part and along the carinar process-central prism boundary; this latter observation appears to be novel. The expected variation of Mg fraction x in the mineral phase (calcite, Ca(1-x)Mg(x)CO(3)) cannot account for all of the linear attenuation coefficient decrease in the two zones: this suggested that soft tissue is localized there. Transmission diffraction mapping (synchrotron X-radiation, 80.8 keV, 0.1 x 0.1mm(2) beam area, 0.1mm translation grid, image plate area detector) simultaneously probed variations in 3-D and showed that the crystal elements of the "T"-shaped tooth were very highly aligned. Diffraction patterns from the keel (adaxial web) and from the abaxial flange (containing primary plates and the stone part) differed markedly. The flange contained two populations of identically oriented crystal elements with lattice parameters corresponding to x=0.13 and x=0.32. The keel produced one set of diffraction spots corresponding to the lower x. The compositions were more or less equivalent to those determined by others for camarodont teeth, and the high Mg phase is expected to be disks of secondary mineral epitaxially related to the underlying primary mineral element. Lattice parameter gradients were not noted in the keel or flange. Taken together, the microCT and diffraction results indicated that there was a band of relatively high protein content, of up to approximately 0.25 volume fraction, in the central part of the flange and paralleling its adaxial and abaxial faces. X-ray microCT and microdiffraction data used in conjunction with protein distribution data will be crucial for understanding the properties of various biocomposites and their mechanical functions.

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

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

Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.

The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

DOE PAGES

Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.; ...

2017-03-06

The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

Structural optimization with approximate sensitivities

NASA Technical Reports Server (NTRS)

Patnaik, S. N.; Hopkins, D. A.; Coroneos, R.

1994-01-01

Computational efficiency in structural optimization can be enhanced if the intensive computations associated with the calculation of the sensitivities, that is, gradients of the behavior constraints, are reduced. Approximation to gradients of the behavior constraints that can be generated with small amount of numerical calculations is proposed. Structural optimization with these approximate sensitivities produced correct optimum solution. Approximate gradients performed well for different nonlinear programming methods, such as the sequence of unconstrained minimization technique, method of feasible directions, sequence of quadratic programming, and sequence of linear programming. Structural optimization with approximate gradients can reduce by one third the CPU time that would otherwise be required to solve the problem with explicit closed-form gradients. The proposed gradient approximation shows potential to reduce intensive computation that has been associated with traditional structural optimization.

Stacking dependence of carrier transport properties in multilayered black phosphorous

NASA Astrophysics Data System (ADS)

Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.

2016-02-01

We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

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.

Gradient changes in structural condition of the B2 phase of NiTi surface layers after electron-beam treatments

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

Meisner, Ludmila L., E-mail: llm@ispms.tsc.ru, E-mail: egu@ispms.tsc.ru; Gudimova, Ekaterina Yu., E-mail: llm@ispms.tsc.ru, E-mail: egu@ispms.tsc.ru; Ostapenko, Marina G., E-mail: artifact@ispms.tsc.ru

2014-11-14

Structural conditions of the B2 phase of the Ti{sub 49.5}Ni{sub 50.5} alloy surface layers before and after electron-beam treatments (pulse duration τ = 150 μs, number of pulses n = 5, beam energy density E ≤ 20 J/cm{sup 2}) were studied by X-ray diffraction analysis. Analysis of the X-ray patterns demonstrates that surface layers modified by electron beam treatment contain phase with B2{sup surf} structure. It is revealed that the lattice parameter of the B2{sup surf} phase in the surface (modified) layer is also higher than the lattice parameter of the B2 phase in the underlying layer (a{sub B2} = 3.0159±0.0005). Themore » values of lattice parameter of phase B2{sup surf} amounted a{sub B2}{sup surf} = 3.0316±0.0005 Å and a{sub B2}{sup surf} = 3.0252±0.0005 Å, for the specimens after electron-beam treatment at E{sub 1} = 15 J/cm{sup 2} and E{sub 2} = 20 J/cm{sup 2}, respectively. Inflated lattice parameters a{sub B2}{sup surf} are associated with changes in the chemical composition and the presence of residual stresses in the surface region of the samples after electron-beam treatments.« less

Pulsed Laser Techniques to Determine Lattice and Radiative Thermal Conductivity of Deep Planetary Materials at Extreme Pressure-Temperature Conditions

NASA Astrophysics Data System (ADS)

Lobanov, S.; Goncharov, A. F.; Holtgrewe, N.; Konopkova, Z.; McWilliams, R. S.

2017-12-01

Thermal conductivity of deep planetary materials determines the planetary heat transport mode and properties (e.g. magnetic field) and can be used to decipher the planetary thermal history. Due to the lack of direct measurements of the lattice and radiative conductivity of the relevant materials at the planetary conditions, the current geodynamical models use theoretical calculations and extrapolations of the available experimental data. Here we describe our pulsed laser techniques that enable direct measurements of the lattice and radiative lattice conductivity of the Earth's mantle and core materials and also of noble gases and simple molecules present in the interiors of giant planets (e.g. hydrogen). Flash heating laser techniques working in a pump-probe mode that include time resolved two-side radiative and thermoreflection temperature probes employ various laser and photo-detector configurations, which provide a measure of the thermal fluxes propagating through the samples confined in the diamond anvil cell cavity. A supercontinuum ultra-bright broadband laser source empower accurate measurements of the optical properties of planetary materials used to extract the radiative conductivity. Finite element calculations serve to extract the temperature and pressure dependent thermal conductivity and temperature gradients across the sample. We report thermal conductivity measurements of the Earth's minerals (postperovskite, bridgmanite, ferropericlase) and their assemblies (pyrolite) and core materials (Fe and alloys with Si and O) at the realistic deep Earth's pressure temperature conditions. We thank J.-F.Lin, M. Murakami, J. Badro for contributing to this work.

A fourth gradient to overcome slice dependent phase effects of voxel-sized coils in planar arrays.

PubMed

Bosshard, John C; Eigenbrodt, Edwin P; McDougall, Mary P; Wright, Steven M

2010-01-01

The signals from an array of densely spaced long and narrow receive coils for MRI are complicated when the voxel size is of comparable dimension to the coil size. The RF coil causes a phase gradient across each voxel, which is dependent on the distance from the coil, resulting in a slice dependent shift of k-space. A fourth gradient coil has been implemented and used with the system's gradient set to create a gradient field which varies with slice. The gradients are pulsed together to impart a slice dependent phase gradient to compensate for the slice dependent phase due to the RF coils. However the non-linearity in the fourth gradient which creates the desired slice dependency also results in a through-slice phase ramp, which disturbs normal slice refocusing and leads to additional signal cancelation and reduced field of view. This paper discusses the benefits and limitations of using a fourth gradient coil to compensate for the phase due to RF coils.

Conjugate heat and mass transfer in the lattice Boltzmann equation method.

PubMed

Li, Like; Chen, Chen; Mei, Renwei; Klausner, James F

2014-04-01

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.

Conjugate heat and mass transfer in the lattice Boltzmann equation method

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

Li, LK; Chen, C; Mei, RW

2014-04-22

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer inmore » porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.« less

Linear signatures in nonlinear gyrokinetics: interpreting turbulence with pseudospectra

DOE PAGES

Hatch, D. R.; Jenko, F.; Navarro, A. Banon; ...

2016-07-26

A notable feature of plasma turbulence is its propensity to retain features of the underlying linear eigenmodes in a strongly turbulent state—a property that can be exploited to predict various aspects of the turbulence using only linear information. In this context, this work examines gradient-driven gyrokinetic plasma turbulence through three lenses—linear eigenvalue spectra, pseudospectra, and singular value decomposition (SVD). We study a reduced gyrokinetic model whose linear eigenvalue spectra include ion temperature gradient driven modes, stable drift waves, and kinetic modes representing Landau damping. The goal is to characterize in which ways, if any, these familiar ingredients are manifest inmore » the nonlinear turbulent state. This pursuit is aided by the use of pseudospectra, which provide a more nuanced view of the linear operator by characterizing its response to perturbations. We introduce a new technique whereby the nonlinearly evolved phase space structures extracted with SVD are linked to the linear operator using concepts motivated by pseudospectra. Using this technique, we identify nonlinear structures that have connections to not only the most unstable eigenmode but also subdominant modes that are nonlinearly excited. The general picture that emerges is a system in which signatures of the linear physics persist in the turbulence, albeit in ways that cannot be fully explained by the linear eigenvalue approach; a non-modal treatment is necessary to understand key features of the turbulence.« less

Near-monodisperse sodium polymethacrylates: characterization by linear salt gradient anion-exchange chromatography

PubMed

Freydank; Krasia; Tiddy; Patrickios

2000-05-01

A family of six near-monodisperse homopolymers of sodium methacrylate (Mn = 1100, 3200, 5500, 7200, 14100, and 21000) is characterized by linear salt gradient anion-exchange chromatography. Although the retention times depend on the initial and final salt concentrations of the gradient, they are almost independent of the molecular weight of poly(sodium methacrylate). This suggests that anion-exchange chromatography is incapable of resolving mixtures of a given polyelectrolyte to their components of various molecular weights, and it is therefore impossible to identify the polydispersity of such a sample using this method. The independence of the retention times from molecular weight is also predicted by a theory based on stoichiometric mass-action ion-exchange. Using this theory and our experimental retention times, the equilibrium anion-exchange constant and the corresponding Gibbs free energy of anion-exchange of the monomer repeat unit are calculated to be around 2.1 and -1.8 kJ/mol, respectively.

Is the bulk mode conversion important in high density helicon plasma?

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

Isayama, Shogo; Hada, Tohru; Shinohara, Shunjiro

2016-06-15

In a high-density helicon plasma production process, a contribution of Trivelpiece-Gould (TG) wave for surface power deposition is widely accepted. The TG wave can be excited either due to an abrupt density gradient near the plasma edge (surface conversion) or due to linear mode conversion from the helicon wave in a density gradient in the bulk region (bulk mode conversion). By numerically solving the boundary value problem of linear coupling between the helicon and the TG waves in a background with density gradient, we show that the efficiency of the bulk mode conversion strongly depends on the dissipation included inmore » the plasma, and the bulk mode conversion is important when the dissipation is small. Also, by performing FDTD simulation, we show the time evolution of energy flux associated with the helicon and the TG waves.« less

Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2).

PubMed

Schütz, Martin

2015-06-07

We describe theory and implementation of oscillator strengths, orbital-relaxed first-order properties, and nuclear gradients for the local algebraic diagrammatic construction scheme through second order. The formalism is derived via time-dependent linear response theory based on a second-order unitary coupled cluster model. The implementation presented here is a modification of our previously developed algorithms for Laplace transform based local time-dependent coupled cluster linear response (CC2LR); the local approximations thus are state specific and adaptive. The symmetry of the Jacobian leads to considerable simplifications relative to the local CC2LR method; as a result, a gradient evaluation is about four times less expensive. Test calculations show that in geometry optimizations, usually very similar geometries are obtained as with the local CC2LR method (provided that a second-order method is applicable). As an exemplary application, we performed geometry optimizations on the low-lying singlet states of chlorophyllide a.

Beam-driven acceleration in ultra-dense plasma media

DOE PAGES

Shin, Young-Min

2014-09-15

Accelerating parameters of beam-driven wakefield acceleration in an extremely dense plasma column has been analyzed with the dynamic framed particle-in-cell plasma simulator, and compared with analytic calculations. In the model, a witness beam undergoes a TeV/m scale alternating potential gradient excited by a micro-bunched drive beam in a 10 25 m -3 and 1.6 x 10 28 m -3 plasma column. The acceleration gradient, energy gain, and transformer ratio have been extensively studied in quasi-linear, linear-, and blowout-regimes. The simulation analysis indicated that in the beam-driven acceleration system a hollow plasma channel offers 20 % higher acceleration gradient by enlargingmore » the channel radius (r) from 0.2 Ap to 0.6 .Ap in a blowout regime. This paper suggests a feasibility of TeV/m scale acceleration with a hollow crystalline structure (e.g. nanotubes) of high electron plasma density.« less

Socioeconomic hierarchy and health gradient in Europe: the role of income inequality and of social origins.

PubMed

Chauvel, Louis; Leist, Anja K

2015-11-14

Health inequalities reflect multidimensional inequality (income, education, and other indicators of socioeconomic position) and vary across countries and welfare regimes. To which extent there is intergenerational transmission of health via parental socioeconomic status has rarely been investigated in comparative perspective. The study sought to explore if different measures of stratification produce the same health gradient and to which extent health gradients of income and of social origins vary with level of living and income inequality. A total of 299,770 observations were available from 18 countries assessed in EU-SILC 2005 and 2011 data, which contain information on social origins. Income inequality (Gini) and level of living were calculated from EU-SILC. Logit rank transformation provided normalized inequalities and distributions of income and social origins up to the extremes of the distribution and was used to investigate net comparable health gradients in detail. Multilevel random-slope models were run to post-estimate best linear unbiased predictors (BLUPs) and related standard deviations of residual intercepts (median health) and slopes (income-health gradients) per country and survey year. Health gradients varied across different measures of stratification, with origins and income producing significant slopes after controls. Income inequality was associated with worse average health, but income inequality and steepness of the health gradient were only marginally associated. Linear health gradients suggest gains in health per rank of income and of origins even at the very extremes of the distribution. Intergenerational transmission of status gains in importance in countries with higher income inequality. Countries differ in the association of income inequality and income-related health gradient, and low income inequality may mask health problems of vulnerable individuals with low status. Not only income inequality, but other country characteristics such as familial orientation play a considerable role in explaining steepness of the health gradient.

Lattice cluster theory of associating polymers. I. Solutions of linear telechelic polymer chains.

PubMed

Dudowicz, Jacek; Freed, Karl F

2012-02-14

The lattice cluster theory (LCT) for the thermodynamics of a wide array of polymer systems has been developed by using an analogy to Mayer's virial expansions for non-ideal gases. However, the high-temperature expansion inherent to the LCT has heretofore precluded its application to systems exhibiting strong, specific "sticky" interactions. The present paper describes a reformulation of the LCT necessary to treat systems with both weak and strong, "sticky" interactions. This initial study concerns solutions of linear telechelic chains (with stickers at the chain ends) as the self-assembling system. The main idea behind this extension of the LCT lies in the extraction of terms associated with the strong interactions from the cluster expansion. The generalized LCT for sticky systems reduces to the quasi-chemical theory of hydrogen bonding of Panyioutou and Sanchez when correlation corrections are neglected in the LCT. A diagrammatic representation is employed to facilitate the evaluation of the corrections to the zeroth-order approximation from short range correlations. © 2012 American Institute of Physics

Geometrically induced nonlinear dynamics in one-dimensional lattices

NASA Astrophysics Data System (ADS)

Hamilton, Merle D.; de Alcantara Bonfim, O. F.

2006-03-01

We present a lattice model consisting of a single one-dimensional chain, where the masses are interconnected by linear springs and allowed to move in a horizontal direction only, as in a monorail. In the transverse direction each mass is also attached to two other linear springs, one on each side of the mass. The ends of these springs are kept at fixed positions. The nonlinearity in the model arises from the geometric constraints imposed on the motion of the masses, as well as from the configuration of the springs, where in the transverse direction the springs are either in the extended or compressed state depending on the position of the masses. Under these conditions we show that solitary waves are present in the system. In the long wavelength limit an analytic solution for these nonlinear waves is found. Numerical integrations of the equations of motion in the full system are also performed to analyze the conditions for the existence and stability of the nonlinear waves.

Thermal expansion characteristics of Fe-9Cr-0.12C-0.56Mn-0.24V-1.38W-0.06Ta (wt.%) reduced activation ferritic-martensitic steel

NASA Astrophysics Data System (ADS)

Subramanian, Raju; Tripathy, Haraprasanna; Rai, Arun Kumar; Hajra, Raj Narayan; Saibaba, Saroja; Jayakumar, Tammana; Rajendra Kumar, Ellappan

2015-04-01

The lattice and bulk thermal expansion behavior of an Indian version of reduced activation ferritic-martensitic (INRAFM) steel has been quantified using high temperature X-ray diffraction and dilatometry. The lattice parameter of tempered α-ferrite phase exhibited a smooth quadratic increase with temperature, while that of γ-austenite remained fairly linear up to 1273 K. The results suggest that α-ferrite + Carbides → γ-austenite transformation occurs upon continuous heating in the temperature range, 1146 ⩽ T ⩽ 1173 K. Further, this transformation is found to be accompanied by a reduction in average atomic volume. The mean linear thermal expansion coefficients of tempered α-ferrite and γ-austenite phases are estimated to be about 1.48 × 10-5 and 2.4 × 10-5 K-1 respectively. The magnetic contribution to relative thermal dilatation (Δl/l298)mag is found to be small and negative, as compared to phonon contribution.

Characterization of the International Linear Collider damping ring optics

NASA Astrophysics Data System (ADS)

Shanks, J.; Rubin, D. L.; Sagan, D.

2014-10-01

A method is presented for characterizing the emittance dilution and dynamic aperture for an arbitrary closed lattice that includes guide field magnet errors, multipole errors and misalignments. This method, developed and tested at the Cornell Electron Storage Ring Test Accelerator (CesrTA), has been applied to the damping ring lattice for the International Linear Collider (ILC). The effectiveness of beam based emittance tuning is limited by beam position monitor (BPM) measurement errors, number of corrector magnets and their placement, and correction algorithm. The specifications for damping ring magnet alignment, multipole errors, number of BPMs, and precision in BPM measurements are shown to be consistent with the required emittances and dynamic aperture. The methodology is then used to determine the minimum number of position monitors that is required to achieve the emittance targets, and how that minimum depends on the location of the BPMs. Similarly, the maximum tolerable multipole errors are evaluated. Finally, the robustness of each BPM configuration with respect to random failures is explored.

Vortex lattices in binary mixtures of repulsive superfluids

NASA Astrophysics Data System (ADS)

Mingarelli, Luca; Keaveny, Eric E.; Barnett, Ryan

2018-04-01

We present an extension of the framework introduced in previous work [L. Mingarelli, E. E. Keaveny, and R. Barnett, J. Phys.: Condens. Matter 28, 285201 (2016), 10.1088/0953-8984/28/28/285201] to treat multicomponent systems, showing that new degrees of freedom are necessary in order to obtain the desired boundary conditions. We then apply this extended framework to the coupled Gross-Pitaevskii equations to investigate the ground states of two-component systems with equal masses, thereby extending previous work in the lowest Landau limit [E. J. Mueller and T.-L. Ho, Phys. Rev. Lett. 88, 180403 (2002), 10.1103/PhysRevLett.88.180403] to arbitrary interactions within Gross-Pitaevskii theory. We show that away from the lowest Landau level limit, the predominant vortex lattice consists of two interlaced triangular lattices. Finally, we derive a linear relation which accurately describes the phase boundaries in the strong interacting regimes.

Surface exponents of trails in two dimensions at tricriticality: Computer simulation study

NASA Astrophysics Data System (ADS)

Meirovitch, H.; Chang, I. S.; Shapir, Y.

1989-09-01

Using the scanning simulation method, we study self-attracting trails (with energy ɛ per intersection) terminally attached to an im- penetrable linear boundary on a square lattice at their tricrital collapse transition. Our results for the exponents of the partition functions are γ1=0.634+/-0.025 (one end attached to the surface) and γ11=-0.44+/-0.02 (both ends attached). These values (with 95% significance limits) are within the error bars of the numerical estimates of Seno and Stella [Europhys. Lett. 7, 605 (1989)] for self-avoiding walks (SAW's) at the FTHETA-point on the same lattice. Our results, however, differ significantly from the exact values derived by Duplantier and Saleur for SAW's on a dilute hexagonal lattice at the FTHETA' point. The collapse temperature Tt and the tricritical growth parameter μ are very close to their analytic bounds -ɛ/kBTt=ln3 and μ=3.

Statistics of lattice animals

NASA Astrophysics Data System (ADS)

Hsu, Hsiao-Ping; Nadler, Walder; Grassberger, Peter

2005-07-01

The scaling behavior of randomly branched polymers in a good solvent is studied in two to nine dimensions, modeled by lattice animals on simple hypercubic lattices. For the simulations, we use a biased sequential sampling algorithm with re-sampling, similar to the pruned-enriched Rosenbluth method (PERM) used extensively for linear polymers. We obtain high statistics of animals with up to several thousand sites in all dimension 2⩽d⩽9. The partition sum (number of different animals) and gyration radii are estimated. In all dimensions we verify the Parisi-Sourlas prediction, and we verify all exactly known critical exponents in dimensions 2, 3, 4, and ⩾8. In addition, we present the hitherto most precise estimates for growth constants in d⩾3. For clusters with one site attached to an attractive surface, we verify the superuniversality of the cross-over exponent at the adsorption transition predicted by Janssen and Lyssy.

Correlation between magnetism and “dark stripes” in strained La{sub 1−x}Sr{sub x}CoO{sub 3} epitaxial films (0 ≤ x ≤ 0.1)

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

Lan, Q. Q.; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190; Shen, X.

Using the technique of aberration-corrected scanning transmission electron microscopy, we performed a systematic analysis for the atomic lattice of the strained La{sub 1−x}Sr{sub x}CoO{sub 3} (0 ≤ x ≤ 0.1) epitaxial films, which have drawn a great attention in recent years because of their anomalous magnetism. Superstructures characterized by dark stripes are observed in the lattice image, evolving with combined Sr-doping and lattice strains. Fascinatingly, we found a close relation between the proportion of the Co ions in dark stripes and the saturation magnetization of the film: the latter grows linearly with the former. This result implies that the magnetism could be exclusively ascribedmore » to the Co ions in dark stripes.« less

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

Umbral moonshine and K3 surfaces

DOE PAGES

Cheng, Miranda C. N.; Harrison, Sarah

2015-06-25

Recently, 23 cases of umbral moonshine, relating mock modular forms and finite groups, have been discovered in the context of the 23 even unimodular Niemeier lattices. One of the 23 cases in fact coincides with the so-called Mathieu moonshine, discovered in the context of K3 non-linear sigma models. In this paper we establish a uniform relation between all 23 cases of umbral moonshine and K3 sigma models, and thereby take a first step in placing umbral moonshine into a geometric and physical context. In addition, this is achieved by relating the ADE root systems of the Niemeier lattices to themore » ADE du Val singularities that a K3 surface can develop, and the configuration of smooth rational curves in their resolutions. A geometric interpretation of our results is given in terms of the marking of K3 surfaces by Niemeier lattices.« less

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

DOE PAGES

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

2018-02-14

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

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

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

X-ray driven channeling acceleration in crystals and carbon nanotubes

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

Shin, Young-Min; Still, Dean A.; Shiltsev, Vladimir

2013-12-01

Acceleration of particles channeling in a crystal by means of diffracted x-rays via Bormann anomalous transmission was conceived for heavy ions and muons by Tajima and Cavenago [Phys. Rev. Lett. 59, 1440 (1987)], which potentially offers an appreciably high field gradient on the order of GV/cm. The theoretical model of the high gradient acceleration has been studied in two kinds of atomic structure, crystals and carbon nanotubes (CNTs), with analytic calculations and electromagnetic eigenmode simulations. A range of acceleration gradients and cutoffs of the x-ray power (the lowest power limit to overcome the Bremsstrahlung radiation losses) are characterized in termsmore » of the lattice constants, unit cell sizes, and photon energies. The parametric analysis indicates that the required x-ray power can be reduced to an order of megawatt by replacing crystals with CNTs. Eventually, the equivalent dielectric approximation of a multi-wall nanotube shows that 250–810 MeV muons can be synchronously coupled with x-rays of 0.65–1.32 keV in the accelerating structure.« less

Bragg gravity-gradiometer using the 1S0–3P1 intercombination transition of 88Sr

NASA Astrophysics Data System (ADS)

del Aguila, R. P.; Mazzoni, T.; Hu, L.; Salvi, L.; Tino, G. M.; Poli, N.

2018-04-01

We present a gradiometer based on matter-wave interference of alkaline-earth-metal atoms, namely 88Sr. The coherent manipulation of the atomic external degrees of freedom is obtained by large-momentum-transfer Bragg diffraction, driven by laser fields detuned away from the narrow 1S0–3P1 intercombination transition. We use a well-controlled artificial gradient, realized by changing the relative frequencies of the Bragg pulses during the interferometer sequence, in order to characterize the sensitivity of the gradiometer. The sensitivity reaches 1.5 × 10‑5 s‑2 for an interferometer time of 20 ms, limited only by geometrical constraints. We observed extremely low sensitivity of the gradiometric phase to magnetic field gradients, approaching a value 104 times lower than the sensitivity of alkali-atom based gradiometers, limited by the interferometer sensitivity. An efficient double-launch technique employing accelerated red vertical lattices from a single magneto-optical trap cloud is also demonstrated. These results highlight strontium as an ideal candidate for precision measurements of gravity gradients, with potential application in future precision tests of fundamental physics.

Visualization of an endogenous retinoic acid gradient across embryonic development.

PubMed

Shimozono, Satoshi; Iimura, Tadahiro; Kitaguchi, Tetsuya; Higashijima, Shin-Ichi; Miyawaki, Atsushi

2013-04-18

In vertebrate development, the body plan is determined by primordial morphogen gradients that suffuse the embryo. Retinoic acid (RA) is an important morphogen involved in patterning the anterior-posterior axis of structures, including the hindbrain and paraxial mesoderm. RA diffuses over long distances, and its activity is spatially restricted by synthesizing and degrading enzymes. However, gradients of endogenous morphogens in live embryos have not been directly observed; indeed, their existence, distribution and requirement for correct patterning remain controversial. Here we report a family of genetically encoded indicators for RA that we have termed GEPRAs (genetically encoded probes for RA). Using the principle of fluorescence resonance energy transfer we engineered the ligand-binding domains of RA receptors to incorporate cyan-emitting and yellow-emitting fluorescent proteins as fluorescence resonance energy transfer donor and acceptor, respectively, for the reliable detection of ambient free RA. We created three GEPRAs with different affinities for RA, enabling the quantitative measurement of physiological RA concentrations. Live imaging of zebrafish embryos at the gastrula and somitogenesis stages revealed a linear concentration gradient of endogenous RA in a two-tailed source-sink arrangement across the embryo. Modelling of the observed linear RA gradient suggests that the rate of RA diffusion exceeds the spatiotemporal dynamics of embryogenesis, resulting in stability to perturbation. Furthermore, we used GEPRAs in combination with genetic and pharmacological perturbations to resolve competing hypotheses on the structure of the RA gradient during hindbrain formation and somitogenesis. Live imaging of endogenous concentration gradients across embryonic development will allow the precise assignment of molecular mechanisms to developmental dynamics and will accelerate the application of approaches based on morphogen gradients to tissue engineering and regenerative medicine.

Non-Linear Nitrogen Cycling and Ecosystem Calcium Depletion Along a Temperate Forest Soil Nitrogen Gradient

NASA Astrophysics Data System (ADS)

Sinkhorn, E. R.; Perakis, S. S.; Compton, J. E.; Cromack, K.; Bullen, T. D.

2007-12-01

Understanding how N availability influences base cation stores is critical for assessing long-term ecosystem sustainability. Indices of nitrogen (N) availability and the distribution of nutrients in plant biomass, soil, and soil water were examined across ten Douglas-fir (Pseudotsuga menziesii) stands spanning a three-fold soil N gradient (0-10 cm: 0.21 - 0.69% N, 0-100 cm: 9.2 - 28.8 Mg N ha-1) in the Oregon Coast Range. This gradient is largely the consequence of historical inputs from N2-fixing red alder stands that can add 100-200 kg N ha-1 yr-1 to the ecosystem for decades. Annual net N mineralization and litterfall N return displayed non-linear relationships with soil N, increasing initially, and then decreasing as N-richness increased. In contrast, nitrate leaching from deep soils increased linearly across the soil N gradient and ranged from 0.074 to 30 kg N ha-1 yr-1. Soil exchangeable Ca, Mg, and K pools to 1 m depth were negatively related to nitrate losses across sites. Ca was the only base cation exhibiting concentration decreases in both plant and soil pools across the soil N gradient, and a greater proportion of total available ecosystem Ca was sequestered in aboveground plant biomass at high N, low Ca sites. Our work supports a hierarchical model of coupled N-Ca cycles across gradients of soil N enrichment, with microbial production of mobile nitrate anions leading to depletion of readily available Ca at the ecosystem scale, and plant sequestration promoting Ca conservation as Ca supply diminishes. The preferential storage of Ca in aboveground biomass at high N and low Ca sites, while critical for sustaining plant productivity, may also predispose forests to Ca depletion in areas managed for intensive biomass removal. Long-term N enrichment of temperate forest soils appears capable of sustaining an open N cycle and key symptoms of N-saturation for multiple decades after the cessation of elevated N inputs.

Bibliography on Cold Regions Science and Technology. Volume 40, Part 1, 1986

DTIC Science & Technology

1986-12-01

witer migration in an unaaturated frozen soil, morin clay, waa determined in horizontally cloaed »oil columns under linear temperature gradients...Peninsula At both ice fronts there is signiPcant tidal height energy in the first seven tidal species, indicating strong non- linear interaction, not all...dry soil weight, and increases with the increase in the molality linearly because of the linear freezing point depression. The curves of the

Peak-Seeking Control Using Gradient and Hessian Estimates

NASA Technical Reports Server (NTRS)

Ryan, John J.; Speyer, Jason L.

2010-01-01

A peak-seeking control method is presented which utilizes a linear time-varying Kalman filter. Performance function coordinate and magnitude measurements are used by the Kalman filter to estimate the gradient and Hessian of the performance function. The gradient and Hessian are used to command the system toward a local extremum. The method is naturally applied to multiple-input multiple-output systems. Applications of this technique to a single-input single-output example and a two-input one-output example are presented.

Consistently inconsistent drivers of microbial diversity and abundance at macroecological scales.

PubMed

Hendershot, John Nicholas; Read, Quentin D; Henning, Jeremiah A; Sanders, Nathan J; Classen, Aimée T

2017-07-01

Macroecology seeks to understand broad-scale patterns in the diversity and abundance of organisms, but macroecologists typically study aboveground macroorganisms. Belowground organisms regulate numerous ecosystem functions, yet we lack understanding of what drives their diversity. Here, we examine the controls on belowground diversity along latitudinal and elevational gradients. We performed a global meta-analysis of 325 soil communities across 20 studies conducted along temperature and soil pH gradients. Belowground taxa, whether bacterial or fungal, observed along a given gradient of temperature or soil pH were equally likely to show a linear increase, linear decrease, humped pattern, trough-shaped pattern, or no pattern in diversity along the gradient. Land-use intensity weakly affected the diversity-temperature relationship, but no other factor did so. Our study highlights disparities among diversity patterns of soil microbial communities. Belowground diversity may be controlled by the associated climatic and historical contexts of particular gradients, by factors not typically measured in community-level studies, or by processes operating at scales that do not match the temporal and spatial scales under study. Because these organisms are responsible for a suite of key processes, understanding the drivers of their distribution and diversity is fundamental to understanding the functioning of ecosystems. © 2017 by the Ecological Society of America.

Prediction of the retention of s-triazines in reversed-phase high-performance liquid chromatography under linear gradient-elution conditions.

PubMed

D'Archivio, Angelo Antonio; Maggi, Maria Anna; Ruggieri, Fabrizio

2014-08-01

In this paper, a multilayer artificial neural network is used to model simultaneously the effect of solute structure and eluent concentration profile on the retention of s-triazines in reversed-phase high-performance liquid chromatography under linear gradient elution. The retention data of 24 triazines, including common herbicides and their metabolites, are collected under 13 different elution modes, covering the following experimental domain: starting acetonitrile volume fraction ranging between 40 and 60% and gradient slope ranging between 0 and 1% acetonitrile/min. The gradient parameters together with five selected molecular descriptors, identified by quantitative structure-retention relationship modelling applied to individual separation conditions, are the network inputs. Predictive performance of this model is evaluated on six external triazines and four unseen separation conditions. For comparison, retention of triazines is modelled by both quantitative structure-retention relationships and response surface methodology, which describe separately the effect of molecular structure and gradient parameters on the retention. Although applied to a wider variable domain, the network provides a performance comparable to that of the above "local" models and retention times of triazines are modelled with accuracy generally better than 7%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Soliton matter in the two-dimensional linear sigma model

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

Dodd, L.R.; Lohe, M.A.; Rossi, M.

1987-10-01

We consider a one-dimensional model of nuclear matter where the quark clusters are described by solutions of the sigma model on a linear lattice in the self-consistent mean field approximation. Exact expressions are given for the baglike solutions confined to a finite interval, corresponding in the infinite interval limit to the free solitons previously found by Campbell and Liao. Periodic, self-consistent solutions which satisfy Bloch's theorem are constructed. Their energies and associated quark sigma field distributions are calculated numerically as functions of the baryon spacing, and compared with those of the uniform quark plasma. The predicted configuration of the groundmore » state depends critically on the assumed manner of filling the lowest band of quark single-particle levels, and on the density. In the absence of additional repulsive forces in the model, we find that the high density massless quark plasma is energetically favored and that there is a smooth transition from the baglike state to a uniform plasma with nonvanishing sigma field at comparatively large lattice constants 2dapprox. =10m/sub q//sup -1/ (m/sub q/ is the quark mass). If dilute filling of the entire band is employed, the clustered state is stable and a first order phase transition can occur for a range of much smaller lattice spacings 2dapprox. =4m/sub q//sup -1/. .AE« less