Flow force and torque on submerged bodies in lattice-Boltzmann methods via momentum exchange.

PubMed

Giovacchini, Juan P; Ortiz, Omar E

2015-12-01

We review the momentum exchange method to compute the flow force and torque on a submerged body in lattice-Boltzmann methods by presenting an alternative derivation. Our derivation does not depend on a particular implementation of the boundary conditions at the body surface, and it relies on general principles. After the introduction of the momentum exchange method in lattice-Boltzmann methods, some formulations were introduced to compute the fluid force on static and moving bodies. These formulations were introduced in a rather intuitive, ad hoc way. In our derivation, we recover the proposals most frequently used, in some cases with minor corrections, gaining some insight into the two most used formulations. At the end, we present some numerical tests to compare different approaches on a well-known benchmark test that support the correctness of the formulas derived.

Application of a Compact Magnetic Resonance Imaging System with 1.5 T Permanent Magnets to Visualize Release from and the Disintegration of Capsule Formulations in Vitro and in Vivo.

PubMed

Takeshita, Keizo; Okazaki, Shoko; Shinada, Kyosuke; Shibamoto, Yuma

2017-01-01

Although magnetic resonance imaging (MRI) has potential in assessments of formulations, few studies have been conducted because of the size and expense of the instrument. In the present study, the processes of in vitro and in vivo release in a gelatin capsule formulation model were visualized using a compact MRI system with 1.5 T permanent magnets, which is more convenient than the superconducting MRI systems typically used for clinical and experimental purposes. A Gd-chelate of diethylenetriamine-N,N,N',N″,N″-pentaacetic acid, a contrast agent that markedly enhances proton signals via close contact with water, was incorporated into capsule formulations as a marker compound. In vitro experiments could clearly demonstrate the preparation-dependent differences in the release/disintegration of the formulations. In some preparations, the penetration of water into the formulation and generation of bubbles in the capsule were also observed prior to the disintegration of the formulation. When capsule formulations were orally administered to rats, the release of the marker into the stomach and its transit to the duodenum were visualized. These results strongly indicate that the compact MRI system is a powerful tool for pharmaceutical studies.

Compaction dynamics of crunchy granular material

NASA Astrophysics Data System (ADS)

Guillard, François; Golshan, Pouya; Shen, Luming; Valdès, Julio R.; Einav, Itai

2017-06-01

Compaction of brittle porous material leads to a wide variety of densification patterns. Static compaction bands occurs naturally in rocks or bones, and have important consequences in industry for the manufacturing of powder tablets or metallic foams for example. Recently, oscillatory compaction bands have been observed in brittle porous media like snow or cereals. We will discuss the great variety of densification patterns arising during the compaction of puffed rice, including erratic compaction at low velocity, one or several travelling compaction bands at medium velocity and homogeneous compaction at larger velocity. The conditions of existence of each pattern are studied thanks to a numerical spring lattice model undergoing breakage and is mapped to the phase diagram of the patterns based on dimensionless characteristic quantities. This also allows to rationalise the evolution of the compaction behaviour during a single test. Finally, the localisation of compaction bands is linked to the strain rate sensitivity of the material.

Efficient kinetic method for fluid simulation beyond the Navier-Stokes equation.

PubMed

Zhang, Raoyang; Shan, Xiaowen; Chen, Hudong

2006-10-01

We present a further theoretical extension to the kinetic-theory-based formulation of the lattice Boltzmann method of Shan [J. Fluid Mech. 550, 413 (2006)]. In addition to the higher-order projection of the equilibrium distribution function and a sufficiently accurate Gauss-Hermite quadrature in the original formulation, a regularization procedure is introduced in this paper. This procedure ensures a consistent order of accuracy control over the nonequilibrium contributions in the Galerkin sense. Using this formulation, we construct a specific lattice Boltzmann model that accurately incorporates up to third-order hydrodynamic moments. Numerical evidence demonstrates that the extended model overcomes some major defects existing in conventionally known lattice Boltzmann models, so that fluid flows at finite Knudsen number Kn can be more quantitatively simulated. Results from force-driven Poiseuille flow simulations predict the Knudsen's minimum and the asymptotic behavior of flow flux at large Kn.

Formulation and process strategies to minimize coat damage for compaction of coated pellets in a rotary tablet press: A mechanistic view.

PubMed

Xu, Min; Heng, Paul Wan Sia; Liew, Celine Valeria

2016-02-29

Compaction of multiple-unit pellet system (MUPS) tablets has been extensively studied in the past few decades but with marginal success. This study aims to investigate the formulation and process strategies for minimizing pellet coat damage caused by compaction and elucidate the mechanism of damage sustained during the preparation of MUPS tablets in a rotary tablet press. Blends containing ethylcellulose-coated pellets and cushioning agent (spray dried aggregates of micronized lactose and mannitol), were compacted into MUPS tablets in a rotary tablet press. The effects of compaction pressure and dwell time on the physicomechanical properties of resultant MUPS tablets and extent of pellet coat damage were systematically examined. The coated pellets from various locations at the axial and radial peripheral surfaces and core of the MUPS tablets were excavated and assessed for their coat damage individually. Interestingly, for a MUPS tablet formulation which consolidates by plastic deformation, the tablet mechanical strength could be enhanced without exacerbating pellet coat damage by extending the dwell time in the compaction cycle during rotary tableting. However, the increase in compaction pressure led to faster drug release rate. The location of the coated pellets in the MUPS tablet also contributed to the extent of their coat damage, possibly due to uneven force distribution within the compact. To ensure viability of pellet coat integrity, the formation of a continuous percolating network of cushioning agent is critical and the applied compaction pressure should be less than the pellet crushing strength. Copyright © 2015 Elsevier B.V. All rights reserved.

From Discrete Breathers to Many Body Localization and Flatbands

NASA Astrophysics Data System (ADS)

Flach, Sergej

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

The space optical clocks project

NASA Astrophysics Data System (ADS)

Schiller, S.; Tino, G. M.; Lemonde, P.; Sterr, U.; Lisdat, Ch.; Görlitz, A.; Poli, N.; Nevsky, A.; Salomon, C.

2017-11-01

The Space Optical Clocks project aims at operating lattice clocks on the ISS for tests of fundamental physics and for providing high-accuracy comparisons of future terrestrial optical clocks. A pre-phase-A study (2007- 10), funded partially by ESA and DLR, included the implementation of several optical lattice clock systems using Strontium and Ytterbium as atomic species and their characterization. Subcomponents of clock demonstrators with the added specification of transportability and using techniques suitable for later space use, such as all-solid-state lasers, low power consumption, and compact dimensions, have been developed and have been validated. This included demonstration of laser-cooling and magneto-optical trapping of Sr atoms in a compact breadboard apparatus and demonstration of a transportable clock laser with 1 Hz linewidth. With two laboratory Sr lattice clock systems a number of fundamental results were obtained, such as observing atomic resonances with linewidths as low as 3 Hz, non-destructive detection of atom excitation, determination of decoherence effects and reaching a frequency instability of 1×10-16.

Highly Compact Circulators in Square-Lattice Photonic Crystal Waveguides

PubMed Central

Jin, Xin; Ouyang, Zhengbiao; Wang, Qiong; Lin, Mi; Wen, Guohua; Wang, Jingjing

2014-01-01

We propose, demonstrate and investigate highly compact circulators with ultra-low insertion loss in square-lattice- square-rod-photonic-crystal waveguides. Only a single magneto- optical square rod is required to be inserted into the cross center of waveguides, making the structure very compact and ultra efficient. The square rods around the center defect rod are replaced by several right-angled-triangle rods, reducing the insertion loss further and promoting the isolations as well. By choosing a linear-dispersion region and considering the mode patterns in the square magneto-optical rod, the operating mechanism of the circulator is analyzed. By applying the finite-element method together with the Nelder-Mead optimization method, an extremely low insertion loss of 0.02 dB for the transmitted wave and ultra high isolation of 46 dB∼48 dB for the isolated port are obtained. The idea presented can be applied to build circulators in different wavebands, e.g., microwave or Tera-Hertz. PMID:25415417

Highly compact circulators in square-lattice photonic crystal waveguides.

PubMed

Jin, Xin; Ouyang, Zhengbiao; Wang, Qiong; Lin, Mi; Wen, Guohua; Wang, Jingjing

2014-01-01

We propose, demonstrate and investigate highly compact circulators with ultra-low insertion loss in square-lattice- square-rod-photonic-crystal waveguides. Only a single magneto- optical square rod is required to be inserted into the cross center of waveguides, making the structure very compact and ultra efficient. The square rods around the center defect rod are replaced by several right-angled-triangle rods, reducing the insertion loss further and promoting the isolations as well. By choosing a linear-dispersion region and considering the mode patterns in the square magneto-optical rod, the operating mechanism of the circulator is analyzed. By applying the finite-element method together with the Nelder-Mead optimization method, an extremely low insertion loss of 0.02 dB for the transmitted wave and ultra high isolation of 46 dB∼48 dB for the isolated port are obtained. The idea presented can be applied to build circulators in different wavebands, e.g., microwave or Tera-Hertz.

Hybrid bandgap engineering for super-hetero-epitaxial semiconductor materials, and products thereof

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang H. (Inventor); King, Glen C. (Inventor); Elliott, James R. (Inventor)

2012-01-01

"Super-hetero-epitaxial" combinations comprise epitaxial growth of one material on a different material with different crystal structure. Compatible crystal structures may be identified using a "Tri-Unity" system. New bandgap engineering diagrams are provided for each class of combination, based on determination of hybrid lattice constants for the constituent materials in accordance with lattice-matching equations. Using known bandgap figures for previously tested materials, new materials with lattice constants that match desired substrates and have the desired bandgap properties may be formulated by reference to the diagrams and lattice matching equations. In one embodiment, this analysis makes it possible to formulate new super-hetero-epitaxial semiconductor systems, such as systems based on group IV alloys on c-plane LaF.sub.3; group IV alloys on c-plane langasite; Group III-V alloys on c-plane langasite; and group II-VI alloys on c-plane sapphire.

Milli-Biology

DTIC Science & Technology

2011-10-30

techniques can produce nanostructured programmable objects. The length scale of the driving physics limits the size scale of objects in DNA origami ...been working on developing a more compact design for 3D origami , with layers of helices packed on a square lattice, that can be folded successfully...version of the CADnano DNA origami CAD software to support square lattice designs. Achieving a simple and standardized way to create designs with the

Compressibility of binary powder formulations: investigation and evaluation with compaction equations.

PubMed

Gentis, Nicolaos D; Betz, Gabriele

2012-02-01

The purpose of this work was to investigate and evaluate the powder compressibility of binary mixtures containing a well-compressible compound (microcrystalline cellulose) and a brittle active drug (paracetamol and mefenamic acid) and its progression after a drug load increase. Drug concentration range was 0%-100% (m/m) with 10% intervals. The powder formulations were compacted to several relative densities with the Zwick material tester. The compaction force and tensile strength were fitted to several mathematical models that give representative factors for the powder compressibility. The factors k and C (Heckel and modified Heckel equation) showed mostly a nonlinear correlation with increasing drug load. The biggest drop in both factors occurred at far regions and drug load ranges. This outcome is crucial because in binary mixtures the drug load regions with higher changeover of plotted factors could be a hint for an existing percolation threshold. The susceptibility value (Leuenberger equation) showed varying values for each formulation without the expected trend of decrease for higher drug loads. The outcomes of this study showed the main challenges for good formulation design. Thus, we conclude that such mathematical plots are mandatory for a scientific evaluation and prediction of the powder compaction process. Copyright © 2011 Wiley Periodicals, Inc.

Lattice field theory applications in high energy physics

NASA Astrophysics Data System (ADS)

Gottlieb, Steven

2016-10-01

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

Multigroup computation of the temperature-dependent Resonance Scattering Model (RSM) and its implementation

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

Ghrayeb, S. Z.; Ouisloumen, M.; Ougouag, A. M.

2012-07-01

A multi-group formulation for the exact neutron elastic scattering kernel is developed. This formulation is intended for implementation into a lattice physics code. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering, which in turn affect the estimation of core reactivity and burnup characteristics. A computer program has been written to test the formulation for various nuclides. Results of the multi-group code have been verified against the correct analytic scattering kernel. In both cases neutrons were started at various energies and temperatures and the corresponding scattering kernels were tallied.more » (authors)« less

Lattice QCD in rotating frames.

PubMed

Yamamoto, Arata; Hirono, Yuji

2013-08-23

We formulate lattice QCD in rotating frames to study the physics of QCD matter under rotation. We construct the lattice QCD action with the rotational metric and apply it to the Monte Carlo simulation. As the first application, we calculate the angular momenta of gluons and quarks in the rotating QCD vacuum. This new framework is useful to analyze various rotation-related phenomena in QCD.

Basic properties of lattices of cubes, algorithms for their construction, and application capabilities in discrete optimization

NASA Astrophysics Data System (ADS)

Khachaturov, R. V.

2015-01-01

The basic properties of a new type of lattices—a lattice of cubes—are described. It is shown that, with a suitable choice of union and intersection operations, the set of all subcubes of an N-cube forms a lattice, which is called a lattice of cubes. Algorithms for constructing such lattices are described, and the results produced by these algorithms in the case of lattices of various dimensions are illustrated. It is proved that a lattice of cubes is a lattice with supplements, which makes it possible to minimize and maximize supermodular functions on it. Examples of such functions are given. The possibility of applying previously developed efficient optimization algorithms to the formulation and solution of new classes of problems on lattices of cubes.

Lattice analysis for the energy scale of QCD phenomena.

PubMed

Yamamoto, Arata; Suganuma, Hideo

2008-12-12

We formulate a new framework in lattice QCD to study the relevant energy scale of QCD phenomena. By considering the Fourier transformation of link variable, we can investigate the intrinsic energy scale of a physical quantity nonperturbatively. This framework is broadly available for all lattice QCD calculations. We apply this framework for the quark-antiquark potential and meson masses in quenched lattice QCD. The gluonic energy scale relevant for the confinement is found to be less than 1 GeV in the Landau or Coulomb gauge.

Efficient Basis Formulation for (1 +1 )-Dimensional SU(2) Lattice Gauge Theory: Spectral Calculations with Matrix Product States

NASA Astrophysics Data System (ADS)

Bañuls, Mari Carmen; Cichy, Krzysztof; Cirac, J. Ignacio; Jansen, Karl; Kühn, Stefan

2017-10-01

We propose an explicit formulation of the physical subspace for a (1 +1 )-dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

Spontaneous breaking of discrete symmetries in QCD on a small volume

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

Lucini, B.; Patella, A.; Pica, C.

2007-11-20

In a compact space with non-trivial cycles, for sufficiently small values of the compact dimensions, charge conjugation (C), spatial reflection (P) and time reversal (J) are spontaneously broken in QCD. The order parameter for the symmetry breaking is the trace of the Wilson line wrapping around the compact dimension, which acquires an imaginary part in the broken phase. We show that a physical signature for the symmetry breaking is a persistent baryonic current wrapping in the compact directions. The existence of such a current is derived analytically at first order in perturbation theory and confirmed in the non-perturbative regime bymore » lattice simulations.« less

Three-dimensional compact explicit-finite difference time domain scheme with density variation

NASA Astrophysics Data System (ADS)

Tsuchiya, Takao; Maruta, Naoki

2018-07-01

In this paper, the density variation is implemented in the three-dimensional compact-explicit finite-difference time-domain (CE-FDTD) method. The formulation is first developed based on the continuity equation and the equation of motion, which include the density. Some numerical demonstrations are performed for the three-dimensional sound wave propagation in a two density layered medium. The numerical results are compared with the theoretical results to verify the proposed formulation.

Multi-Group Formulation of the Temperature-Dependent Resonance Scattering Model and its Impact on Reactor Core Parameters

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

Ghrayeb, Shadi Z.; Ougouag, Abderrafi M.; Ouisloumen, Mohamed

2014-01-01

A multi-group formulation for the exact neutron elastic scattering kernel is developed. It incorporates the neutron up-scattering effects, stemming from lattice atoms thermal motion and accounts for it within the resulting effective nuclear cross-section data. The effects pertain essentially to resonant scattering off of heavy nuclei. The formulation, implemented into a standalone code, produces effective nuclear scattering data that are then supplied directly into the DRAGON lattice physics code where the effects on Doppler Reactivity and neutron flux are demonstrated. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering,more » which in turn affect the estimation of core reactivity and burnup characteristics. The results show an increase in values of Doppler temperature feedback coefficients up to -10% for UOX and MOX LWR fuels compared to the corresponding values derived using the traditional asymptotic elastic scattering kernel. This paper also summarizes the results done on this topic to date.« less

Direct computational approach to lattice supersymmetric quantum mechanics

NASA Astrophysics Data System (ADS)

Kadoh, Daisuke; Nakayama, Katsumasa

2018-07-01

We study the lattice supersymmetric models numerically using the transfer matrix approach. This method consists only of deterministic processes and has no statistical uncertainties. We improve it by performing a scale transformation of variables such that the Witten index is correctly reproduced from the lattice model, and the other prescriptions are shown in detail. Compared to the precious Monte-Carlo results, we can estimate the effective masses, SUSY Ward identity and the cut-off dependence of the results in high precision. Those kinds of information are useful in improving lattice formulation of supersymmetric models.

High-Order Methods for Computational Fluid Dynamics: A Brief Review of Compact Differential Formulations on Unstructured Grids

NASA Technical Reports Server (NTRS)

Huynh, H. T.; Wang, Z. J.; Vincent, P. E.

2013-01-01

Popular high-order schemes with compact stencils for Computational Fluid Dynamics (CFD) include Discontinuous Galerkin (DG), Spectral Difference (SD), and Spectral Volume (SV) methods. The recently proposed Flux Reconstruction (FR) approach or Correction Procedure using Reconstruction (CPR) is based on a differential formulation and provides a unifying framework for these high-order schemes. Here we present a brief review of recent developments for the FR/CPR schemes as well as some pacing items.

Fractional Talbot field and of finite gratings: compact analytical formulation.

PubMed

Arrizón, V; Rojo-Velázquez, G

2001-06-01

We present a compact analytical formulation for the fractional Talbot effect at the paraxial domain of a finite grating. Our results show that laterally shifted distorted images of the grating basic cell form the Fresnel field at a fractional Talbot plane of the grating. Our formulas give the positions of those images and show that they are given by the convolution of the nondistorted cells (modulated by a quadratic phase factor) with the Fourier transform of the finite-grating pupil.

Weighted Non-linear Compact Schemes for the Direct Numerical Simulation of Compressible, Turbulent Flows

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

Ghosh, Debojyoti; Baeder, James D.

2014-01-21

A new class of compact-reconstruction weighted essentially non-oscillatory (CRWENO) schemes were introduced (Ghosh and Baeder in SIAM J Sci Comput 34(3): A1678–A1706, 2012) with high spectral resolution and essentially non-oscillatory behavior across discontinuities. The CRWENO schemes use solution-dependent weights to combine lower-order compact interpolation schemes and yield a high-order compact scheme for smooth solutions and a non-oscillatory compact scheme near discontinuities. The new schemes result in lower absolute errors, and improved resolution of discontinuities and smaller length scales, compared to the weighted essentially non-oscillatory (WENO) scheme of the same order of convergence. Several improvements to the smoothness-dependent weights, proposed inmore » the literature in the context of the WENO schemes, address the drawbacks of the original formulation. This paper explores these improvements in the context of the CRWENO schemes and compares the different formulations of the non-linear weights for flow problems with small length scales as well as discontinuities. Simplified one- and two-dimensional inviscid flow problems are solved to demonstrate the numerical properties of the CRWENO schemes and its different formulations. Canonical turbulent flow problems—the decay of isotropic turbulence and the shock-turbulence interaction—are solved to assess the performance of the schemes for the direct numerical simulation of compressible, turbulent flows« less

Laser short-pulse heating of an aluminum thin film: Energy transfer in electron and lattice sub-systems

NASA Astrophysics Data System (ADS)

Bin Mansoor, Saad; Sami Yilbas, Bekir

2015-08-01

Laser short-pulse heating of an aluminum thin film is considered and energy transfer in the film is formulated using the Boltzmann equation. Since the heating duration is short and the film thickness is considerably small, thermal separation of electron and lattice sub-systems is incorporated in the analysis. The electron-phonon coupling is used to formulate thermal communication of both sub-systems during the heating period. Equivalent equilibrium temperature is introduced to account for the average energy of all phonons around a local point when they redistribute adiabatically to an equilibrium state. Temperature predictions of the Boltzmann equation are compared with those obtained from the two-equation model. It is found that temperature predictions from the Boltzmann equation differ slightly from the two-equation model results. Temporal variation of equivalent equilibrium temperature does not follow the laser pulse intensity in the electron sub-system. The time occurrence of the peak equivalent equilibrium temperature differs for electron and lattice sub-systems, which is attributed to phonon scattering in the irradiated field in the lattice sub-system. In this case, time shift is observed for occurrence of the peak temperature in the lattice sub-system.

Non-Perturbative Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1997-02-01

We discuss the renormalization of the lattice formulation of the Heavy Quark Effective Theory (LHQET). In addition to wave function and composite operator renormalizations, on the lattice the classical velocity is also renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. We present results of a new, direct lattice simulation of this finite renormalization, and compare the results to the perturbative (one loop) result. The simulation results are obtained with the use of a variationally optimized heavy-light meson operator, using an ensemble of lattices provided by the Fermilab ACP-MAPS collaboration.

An Absorbing Boundary Condition for the Lattice Boltzmann Method Based on the Perfectly Matched Layer

PubMed Central

Najafi-Yazdi, A.; Mongeau, L.

2012-01-01

The Lattice Boltzmann Method (LBM) is a well established computational tool for fluid flow simulations. This method has been recently utilized for low Mach number computational aeroacoustics. Robust and nonreflective boundary conditions, similar to those used in Navier-Stokes solvers, are needed for LBM-based aeroacoustics simulations. The goal of the present study was to develop an absorbing boundary condition based on the perfectly matched layer (PML) concept for LBM. The derivation of formulations for both two and three dimensional problems are presented. The macroscopic behavior of the new formulation is discussed. The new formulation was tested using benchmark acoustic problems. The perfectly matched layer concept appears to be very well suited for LBM, and yielded very low acoustic reflection factor. PMID:23526050

Experimenting with Langevin lattice QCD

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

Gavai, R.V.; Potvin, J.; Sanielevici, S.

1987-05-01

We report on the status of our investigations of the effects of systematic errors upon the practical merits of Langevin updating in full lattice QCD. We formulate some rules for the safe use of this updating procedure and some observations on problems which may be common to all approximate fermion algorithms.

Characterization of new functionalized calcium carbonate-polycaprolactone composite material for application in geometry-constrained drug release formulation development.

PubMed

Wagner-Hattler, Leonie; Schoelkopf, Joachim; Huwyler, Jörg; Puchkov, Maxim

2017-10-01

A new mineral-polymer composite (FCC-PCL) performance was assessed to produce complex geometries to aid in development of controlled release tablet formulations. The mechanical characteristics of a developed material such as compactibility, compressibility and elastoplastic deformation were measured. The results and comparative analysis versus other common excipients suggest efficient formation of a complex, stable and impermeable geometries for constrained drug release modifications under compression. The performance of the proposed composite material has been tested by compacting it into a geometrically altered tablet (Tablet-In-Cup, TIC) and the drug release was compared to commercially available product. The TIC device exhibited a uniform surface, showed high physical stability, and showed absence of friability. FCC-PCL composite had good binding properties and good compactibility. It was possible to reveal an enhanced plasticity characteristic of a new material which was not present in the individual components. The presented FCC-PCL composite mixture has the potential to become a successful tool to formulate controlled-release dosage solid forms.

Versatile strain-tuning of modulated long-period magnetic structures

DOE PAGES

Fobes, D. M.; Luo, Yongkang; León-Brito, N.; ...

2017-05-10

In this paper, we report a detailed small-angle neutron scattering (SANS) study of the skyrmion lattice phase of MnSi under compressive and tensile strain. In particular, we demonstrate that tensile strain applied to the skyrmion lattice plane, perpendicular to the magnetic field, acts to destabilize the skyrmion lattice phase. Finally, this experiment was enabled by our development of a versatile strain cell, unique in its ability to select the application of either tensile or compressive strain in-situ by using two independent helium-actuated copper pressure transducers, whose design has been optimized for magnetic SANS on modulated long-period magnetic structures and vortexmore » lattices, and is compact enough to fit in common sample environments such as cryostats and superconducting magnets.« less

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.

Distributing the ERIC Database on SilverPlatter Compact Disc--A Brief Case History.

ERIC Educational Resources Information Center

Brandhorst, Ted

This description of the development of the Education Resources Information Center (ERIC) compact disc by two companies, SilverPlatter and ORI, Inc., provides background information on ERIC and the ERIC database, discusses reasons for choosing to put the ERIC database on compact discs, and describes the formulation of an ERIC CD-ROM team as part of…

Study of particle rearrangement, compression behavior and dissolution properties after melt dispersion of ibuprofen, Avicel and Aerosil

PubMed Central

Mallick, Subrata; Kumar Pradhan, Saroj; Chandran, Muronia; Acharya, Manoj; Digdarsini, Tanmayee; Mohapatra, Rajaram

2011-01-01

Particle rearrangements, compaction under pressure and in vitro dissolution have been evaluated after melt dispersion of ibuprofen, Avicel and Aerosil. The Cooper–Eaton and Kuno equations were utilized for the determination of particle rearrangement and compression behavior from tap density and compact data. Particle rearrangement could be divided into two stages as primary and secondary rearrangement. Transitional tapping between the stages was found to be 20–25 taps in ibuprofen crystalline powder, which was increased up to 45 taps with all formulated powders. Compaction in the rearrangement stages was increased in all the formulations with respect to pure ibuprofen. Significantly increased compaction of ibuprofen under pressure can be achieved using Avicel by melt dispersion technique, which could be beneficial in ibuprofen tablet manufacturing by direct compression. SEM, FTIR and DSC have been utilized for physicochemical characterization of the melt dispersion powder materials. Dissolution of ibuprofen from compacted tablet of physical mixture and melt dispersion particles has also been improved greatly in the following order: Ibc

In-line monitoring of compaction properties on a rotary tablet press during tablet manufacturing of hot-melt extruded amorphous solid dispersions.

PubMed

Grymonpré, W; Verstraete, G; Van Bockstal, P J; Van Renterghem, J; Rombouts, P; De Beer, T; Remon, J P; Vervaet, C

2017-01-30

As the number of applications for polymers in pharmaceutical development is increasing, there is need for fundamental understanding on how such compounds behave during tableting. This research is focussed on the tableting behaviour of amorphous polymers, their solid dispersions and the impact of hot-melt extrusion on the compaction properties of these materials. Soluplus, Kollidon VA 64 and Eudragit EPO were selected as amorphous polymers since these are widely studied carriers for solid dispersions, while Celecoxib was chosen as BCS class II model drug. Neat polymers and physical mixtures (up to 35% drug load) were processed by hot-melt extrusion (HME), milled and sieved to obtain powders with comparable particle sizes as the neat polymer. A novel approach was used for in-line analysis of the compaction properties on a rotary tablet press (Modul P, GEA) using complementary sensors and software (CDAAS, GEA). By combining 'in-die' and 'out-of-die' techniques, it was possible to investigate in a comprehensive way the impact of HME on the tableting behaviour of amorphous polymers and their formulations. The formation of stable glassy solutions altered the formulations towards more fragmentary behaviour under compression which was beneficial for the tabletability. Principal component analysis (PCA) was applied to summarize the behaviour during compaction of the formulations, enabling the selection of Soluplus and Kollidon VA 64 as the most favourable polymers for compaction of glassy solutions. Copyright © 2016 Elsevier B.V. All rights reserved.

Nonreciprocal Localization of Photons

NASA Astrophysics Data System (ADS)

Ramezani, Hamidreza; Jha, Pankaj K.; Wang, Yuan; Zhang, Xiang

2018-01-01

We demonstrate that it is possible to localize photons nonreciprocally in a moving photonic lattice made by spatiotemporally modulating the atomic response, where the dispersion acquires a spectral Doppler shift with respect to the probe direction. A static defect placed in such a moving lattice produces a spatial localization of light in the band gap with a shifting frequency that depends on the direction of incident field with respect to the moving lattice. This phenomenon has an impact not only in photonics but also in broader areas such as condensed matter and acoustics, opening the doors for designing new devices such as compact isolators, circulators, nonreciprocal traps, sensors, unidirectional tunable filters, and possibly even a unidirectional laser.

Lattice QCD based on OpenCL

NASA Astrophysics Data System (ADS)

Bach, Matthias; Lindenstruth, Volker; Philipsen, Owe; Pinke, Christopher

2013-09-01

We present an OpenCL-based Lattice QCD application using a heatbath algorithm for the pure gauge case and Wilson fermions in the twisted mass formulation. The implementation is platform independent and can be used on AMD or NVIDIA GPUs, as well as on classical CPUs. On the AMD Radeon HD 5870 our double precision ⁄D implementation performs at 60 GFLOPS over a wide range of lattice sizes. The hybrid Monte Carlo presented reaches a speedup of four over the reference code running on a server CPU.

Preparation and Characterization of Liquisolid Compacts for Improved Dissolution of Telmisartan

PubMed Central

Narra, Nataraj; Rama Rao, Tadikonda

2014-01-01

The objective of the present work was to obtain pH independent and improved dissolution profile for a poorly soluble drug, telmisartan using liquisolid compacts. Liquisolid compacts were prepared using Transcutol HP as vehicle, Avicel PH102 as carrier, and Aerosil 200 as a coating material. The formulations were evaluated for drug excipient interactions, change in crystallinity of drug, flow properties, and general quality control tests of tablets using Fourier transform infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), X-ray diffraction (XRD), angle of repose, and various pharmacopoeial tests. In vitro dissolution studies were performed at three pH conditions (1.2, 4.5 and 7.4). Stability studies were performed at 40°C and 75% RH for three months. The formulation was found to comply with Indian pharmacopoeial limits for tablets. FTIR studies confirmed no interaction between drug and excipients. XRD and DSC studies indicate change/reduction in crystallinity of drug. Dissolution media were selected based on the solubility studies. The optimized formulation showed pH independent release profile with significant improvement (P < 0.005) in dissolution compared to plain drug and conventional marketed formulation. No significant difference was seen in the tablet properties, and drug release profile after storage for 3 months. PMID:25371826

Numerical Simulation of Chemically Reacting Flows

DTIC Science & Technology

2015-09-03

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Spontaneous supersymmetry breaking in two dimensional lattice super QCD

DOE PAGES

Catterall, Simon; Veernala, Aarti

2015-10-02

We report on a non-perturbative study of two dimensional N=(2,2) super QCD. Our lattice formulation retains a single exact supersymmetry at non-zero lattice spacing, and contains N f fermions in the fundamental representation of a U(N c) gauge group. The lattice action we employ contains an additional Fayet-Iliopoulos term which is also invariant under the exact lattice supersymmetry. This work constitutes the first numerical study of this theory which serves as a toy model for understanding some of the issues that are expected to arise in four dimensional super QCD. As a result, we present evidence that the exact supersymmetrymore » breaks spontaneously when N f < N c in agreement with theoretical expectations.« less

Rooting issue for a lattice fermion formulation similar to staggered fermions but without taste mixing

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

Adams, David H.

2008-05-15

To investigate the viability of the 4th root trick for the staggered fermion determinant in a simpler setting, we consider a 2-taste (flavor) lattice fermion formulation with no taste mixing but with exact taste-nonsinglet chiral symmetries analogous to the taste-nonsinglet U(1){sub A} symmetry of staggered fermions. Creutz's objections to the rooting trick apply just as much in this setting. To counter them we show that the formulation has robust would-be zero modes in topologically nontrivial gauge backgrounds, and that these manifest themselves in a viable way in the rooted fermion determinant and also in the disconnected piece of the pseudoscalarmore » meson propagator as required to solve the U(1) problem. Also, our rooted theory is heuristically seen to be in the right universality class for QCD if the same is true for an unrooted mixed fermion action theory.« less

Finite-element lattice Boltzmann simulations of contact line dynamics

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

A New Equivalence Theory Method for Treating Doubly Heterogeneous Fuel - I. Theory

DOE PAGES

Williams, Mark L.; Lee, Deokjung; Choi, Sooyoung

2015-03-04

A new methodology has been developed to treat resonance self-shielding in doubly heterogeneous very high temperature gas-cooled reactor systems in which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. This new method first homogenizes the fuel grain and matrix materials using an analytically derived disadvantage factor from a two-region problem with equivalence theory and intermediate resonance method. This disadvantage factor accounts for spatial self-shielding effects inside each grain within the framework of an infinite array of grains. Then the homogenized fuel compact is self-shielded using a Bondarenko method to accountmore » for interactions between the fuel compact regions in the fuel lattice. In the final form of the equations for actual implementations, the double-heterogeneity effects are accounted for by simply using a modified definition of a background cross section, which includes geometry parameters and cross sections for both the grain and fuel compact regions. With the new method, the doubly heterogeneous resonance self-shielding effect can be treated easily even with legacy codes programmed only for a singly heterogeneous system by simple modifications in the background cross section for resonance integral interpolations. This paper presents a detailed derivation of the new method and a sensitivity study of double-heterogeneity parameters introduced during the derivation. The implementation of the method and verification results for various test cases are presented in the companion paper.« less

On lattice chiral gauge theories

NASA Technical Reports Server (NTRS)

Maiani, L.; Rossi, G. C.; Testa, M.

1991-01-01

The Smit-Swift-Aoki formulation of a lattice chiral gauge theory is presented. In this formulation the Wilson and other non invariant terms in the action are made gauge invariant by the coupling with a nonlinear auxilary scalar field, omega. It is shown that omega decouples from the physical states only if appropriate parameters are tuned so as to satisfy a set of BRST identities. In addition, explicit ghost fields are necessary to ensure decoupling. These theories can give rise to the correct continuum limit. Similar considerations apply to schemes with mirror fermions. Simpler cases with a global chiral symmetry are discussed and it is shown that the theory becomes free at decoupling. Recent numerical simulations agree with those considerations.

Unconventional phases in quantum spin and pseudospin systems in two dimensional and three dimensional lattices

NASA Astrophysics Data System (ADS)

Xu, Cenke

Several examples of quantum spin systems and pseudo spin systems have been studied, and unconventional states of matters and phase transitions have been realized in all these systems under consideration. In the p +/- ip superconductor Josephson lattice and the p--band cold atomic system trapped in optical lattices, novel phases which behave similarly to 1+1 dimensional systems are realized, despite the fact that the real physical systems are in two or three dimensional spaces. For instance, by employing a spin-wave analysis together with a new duality transformation, we establish the existence and stability of a novel gapless "critical phase", which we refer to as a "bond algebraic liquid". This novel critical phase is analogous to the 1+1 dimensional algebraic boson liquid phase. The reason for the novel physics is that there is a quasilocal gauge symmetry in the effective low energy Hamiltonian. In a spin-1 system on the kagome lattice, and a hard-core boson system on the honeycomb lattice, the low energy physics is controlled by two components of compact U(1) gauge symmetries that emerge at low energy. Making use of the confinement nature of the 2+1 dimensional compact gauge theories and the powerful duality between gauge theories and height field theories, the crystalline phase diagrams are studied for both systems, and the transitions to other phases are also considered. These phase diagrams might be accessible in strongly correlated materials, or atomic systems in optical lattices. A novel quantum ground state of matter is realized in a bosonic model on three dimensional fcc lattice with emergent low energy excitations. The novel phase obtained is a stable gapless boson liquid phase, with algebraic boson density correlations. The stability of this phase is protected against the instanton effect and superfluidity by self-duality and large gauge symmetries on both sides of the duality. The gapless collective excitations of this phase closely resemble the graviton, although they have a soft w ˜ k2 dispersion relation. The dynamics of this novel phase is described by a new set of Maxwell's equations.

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

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

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.

Ultrafast observation of lattice dynamics in laser-irradiated gold foils

DOE PAGES

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

2017-02-13

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

Ultrafast observation of lattice dynamics in laser-irradiated gold foils

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

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

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

Mimetic discretization of the Abelian Chern-Simons theory and link invariants

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

Di Bartolo, Cayetano; Grau, Javier; Leal, Lorenzo

A mimetic discretization of the Abelian Chern-Simons theory is presented. The study relies on the formulation of a theory of differential forms in the lattice, including a consistent definition of the Hodge duality operation. Explicit expressions for the Gauss Linking Number in the lattice, which correspond to their continuum counterparts are given. A discussion of the discretization of metric structures in the space of transverse vector densities is presented. The study of these metrics could serve to obtain explicit formulae for knot an link invariants in the lattice.

Mimetic discretization of the Abelian Chern-Simons theory and link invariants

NASA Astrophysics Data System (ADS)

Di Bartolo, Cayetano; Grau, Javier; Leal, Lorenzo

2013-12-01

A mimetic discretization of the Abelian Chern-Simons theory is presented. The study relies on the formulation of a theory of differential forms in the lattice, including a consistent definition of the Hodge duality operation. Explicit expressions for the Gauss Linking Number in the lattice, which correspond to their continuum counterparts are given. A discussion of the discretization of metric structures in the space of transverse vector densities is presented. The study of these metrics could serve to obtain explicit formulae for knot an link invariants in the lattice.

Systematic design of 3D auxetic lattice materials with programmable Poisson's ratio for finite strains

NASA Astrophysics Data System (ADS)

Wang, Fengwen

2018-05-01

This paper presents a systematic approach for designing 3D auxetic lattice materials, which exhibit constant negative Poisson's ratios over large strain intervals. A unit cell model mimicking tensile tests is established and based on the proposed model, the secant Poisson's ratio is defined as the negative ratio between the lateral and the longitudinal engineering strains. The optimization problem for designing a material unit cell with a target Poisson's ratio is formulated to minimize the average lateral engineering stresses under the prescribed deformations. Numerical results demonstrate that 3D auxetic lattice materials with constant Poisson's ratios can be achieved by the proposed optimization formulation and that two sets of material architectures are obtained by imposing different symmetry on the unit cell. Moreover, inspired by the topology-optimized material architecture, a subsequent shape optimization is proposed by parametrizing material architectures using super-ellipsoids. By designing two geometrical parameters, simple optimized material microstructures with different target Poisson's ratios are obtained. By interpolating these two parameters as polynomial functions of Poisson's ratios, material architectures for any Poisson's ratio in the interval of ν ∈ [ - 0.78 , 0.00 ] are explicitly presented. Numerical evaluations show that interpolated auxetic lattice materials exhibit constant Poisson's ratios in the target strain interval of [0.00, 0.20] and that 3D auxetic lattice material architectures with programmable Poisson's ratio are achievable.

New Generation of Superconducting Solenoids for Heavy-Ion Linac Application

NASA Astrophysics Data System (ADS)

Ostroumov, P. N.; Kim, S. H.; Lessner, E. S.; Shepard, K. W.; Laxdal, R. E.

2002-01-01

The beam dynamics of superconducting (SC) heavy-ion linacs operating in the velocity range below 0.4c require a compact accelerating-focusing lattice. The use of SC solenoids together with SC RF resonators within a common cryostat can solve the real-estate problem. The solenoids must have low fringe fields to avoid magnetic-flux capture in the SC RF resonators. Also, incorporating dipole steering coils together with the SC solenoids in one magnet assembly can increase the compactness of the linac lattice. R&D work has been carried out to determine the feasibility of combining the three elements of high solenoid field, low fringe field, and integral dipole field, into one compact package. A 9-Tesla magnet has been initially designed and will be prototyped, with the goal of eventually developing 14-Tesla solenoids of similar design. The most important design issues are: (1) to minimize stray field in the RF cavity region using SC bucking coils and (2) to achieve adequate mechanical stability of the transverse dipole windings in the presence of forces produced by the solenoid/bucking coil assembly. The assembly, including terminals, switches, and protection circuit, are designed to fit inside a 25-cm diameter helium reservoir. The results of the preliminary design of the solenoid, including numerical simulations of the beam dynamics, are reported.

Roll Compaction and Tableting of High Loaded Metformin Formulations Using Efficient Binders.

PubMed

Arndt, Oscar-Rupert; Kleinebudde, Peter

2018-04-23

Metformin has a poor tabletability and flowability. Therefore, metformin is typically wet granulated with a binder before tableting. To save production costs, it would be desirable to implement a roll compaction/dry granulation (RCDG) process for metformin instead of using wet granulation. In order to implement RCDG, the efficiency of dry binders is crucial to ensure a high drug load and suitable properties of dry granules and tablets. This study evaluates dry granules manufactured by RCDG and subsequently tableting of high metformin content formulations (≥ 87.5%). Based on previous results, fine particle grades of hydroxypropylcellulose and copovidone in different fractions were compared as dry binders. The formulations are suitable for RCDG and tableting. Furthermore, results can be connected to in-die and out-of-die compressibility analysis. The addition of 7% of dry binder is a good compromise to generate sufficient mechanical properties on the one hand, but also to save resources and ensure a high metformin content on the other hand. Hydroxypropylcellulose was more efficient in terms of granule size, tensile strength and friability. Three percent croscarmellose was added to reach the specifications of the US Pharmacopeia regarding dissolution. The final formulation has a metformin content of 87.5%. A loss in tabletability does not occur for granules compressed at different specific compaction forces, which displays a robust tensile strength of tablets independent of the granulation process.

The Abelian Higgs model on Optical Lattice?

NASA Astrophysics Data System (ADS)

Meurice, Yannick; Tsai, Shan-Wen; Bazavov, Alexei; Zhang, Jin

2015-03-01

We study the Lattice Gauge Theory of the U(1)-Higgs model in 1+1 dimensions in the strongly coupled regime. We discuss the plaquette corrections to the effective theory where link variables are integrated out. We discuss matching with the second-order perturbation theory effective Hamiltonian for various Bose-Hubbard models. This correspondence can be exploited for building a lattice gauge theory simulator on optical lattices. We propose to implement the quantum rotors which appear in the Hamiltonian formulation using Bose mixtures or p-orbitals. Recent progress on magnetic effects in 2+1 dimensions will be discussed. Supported by the Army Research Office of the Department of Defense under Award Number W911NF-13-1-0119.

Three-dimensional lattice Boltzmann model for compressible flows.

PubMed

Sun, Chenghai; Hsu, Andrew T

2003-07-01

A three-dimensional compressible lattice Boltzmann model is formulated on a cubic lattice. A very large particle-velocity set is incorporated in order to enable a greater variation in the mean velocity. Meanwhile, the support set of the equilibrium distribution has only six directions. Therefore, this model can efficiently handle flows over a wide range of Mach numbers and capture shock waves. Due to the simple form of the equilibrium distribution, the fourth-order velocity tensors are not involved in the formulation. Unlike the standard lattice Boltzmann model, no special treatment is required for the homogeneity of fourth-order velocity tensors on square lattices. The Navier-Stokes equations were recovered, using the Chapman-Enskog method from the Bhatnagar-Gross-Krook (BGK) lattice Boltzmann equation. The second-order discretization error of the fluctuation velocity in the macroscopic conservation equation was eliminated by means of a modified collision invariant. The model is suitable for both viscous and inviscid compressible flows with or without shocks. Since the present scheme deals only with the equilibrium distribution that depends only on fluid density, velocity, and internal energy, boundary conditions on curved wall are easily implemented by an extrapolation of macroscopic variables. To verify the scheme for inviscid flows, we have successfully simulated a three-dimensional shock-wave propagation in a box and a normal shock of Mach number 10 over a wedge. As an application to viscous flows, we have simulated a flat plate boundary layer flow, flow over a cylinder, and a transonic flow over a NACA0012 airfoil cascade.

Loop equations and bootstrap methods in the lattice

DOE PAGES

Anderson, Peter D.; Kruczenski, Martin

2017-06-17

Pure gauge theories can be formulated in terms of Wilson Loops by means of the loop equation. In the large-N limit this equation closes in the expectation value of single loops. In particular, using the lattice as a regulator, it becomes a well defined equation for a discrete set of loops. In this paper we study different numerical approaches to solving this equation.

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.

On the development of a model predicting the recrystallization texture of aluminum using the Taylor model for rolling textures and the coincidence lattice site theory

NASA Astrophysics Data System (ADS)

T, Morimoto; F, Yoshida; A, Yanagida; J, Yanagimoto

2015-04-01

First, hardening model in f.c.c. metals was formulated with collinear interactions slips, Hirth slips and Lomer-Cottrell slips. Using the Taylor and the Sachs rolling texture prediction model, the residual dislocation densities of cold-rolled commercial pure aluminum were estimated. Then, coincidence site lattice grains were investigated from observed cold rolling texture. Finally, on the basis of oriented nucleation theory and coincidence site lattice theory, the recrystallization texture of commercial pure aluminum after low-temperature annealing was predicted.

Microstructural and surface modifications and hydroxyapatite coating of Ti-6Al-4V triply periodic minimal surface lattices fabricated by selective laser melting.

PubMed

Yan, Chunze; Hao, Liang; Hussein, Ahmed; Wei, Qingsong; Shi, Yusheng

2017-06-01

Ti-6Al-4V Gyroid triply periodic minimal surface (TPMS) lattices were manufactured by selective laser melting (SLM). The as-built Ti-6Al-4V lattices exhibit an out-of-equilibrium microstructure with very fine α' martensitic laths. When subjected to the heat treatment of 1050°C for 4h followed by furnace cooling, the lattices show a homogenous and equilibrium lamellar α+β microstructure with less dislocation and crystallographic defects compared with the as-built α' martensite. The as-built lattices present very rough strut surfaces bonded with plenty of partially melted metal particles. The sand blasting nearly removed all the bonded metal particles, but created many tiny cracks. The HCl etching eliminated these tiny cracks, and subsequent NaOH etching resulted in many small and shallow micro-pits and develops a sodium titanate hydrogel layer on the surfaces of the lattices. When soaked in simulated body fluid (SBF), the Ti-6Al-4V TPMS lattices were covered with a compact and homogeneous biomimetic hydroxyapatite (HA) layer. This work proposes a new method for making Ti-6Al-4V TPMS lattices with a homogenous and equilibrium microstructure and biomimetic HA coating, which show both tough and bioactive characteristics and can be promising materials usable as bone substitutes. Copyright © 2017 Elsevier B.V. All rights reserved.

Lattice Boltzmann Methods to Address Fundamental Boiling and Two-Phase Problems

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

Uddin, Rizwan

2012-01-01

This report presents the progress made during the fourth (no cost extension) year of this three-year grant aimed at the development of a consistent Lattice Boltzmann formulation for boiling and two-phase flows. During the first year, a consistent LBM formulation for the simulation of a two-phase water-steam system was developed. Results of initial model validation in a range of thermo-dynamic conditions typical for Boiling Water Reactors (BWRs) were shown. Progress was made on several fronts during the second year. Most important of these included the simulation of the coalescence of two bubbles including the surface tension effects. Work during themore » third year focused on the development of a new lattice Boltzmann model, called the artificial interface lattice Boltzmann model (AILB model) for the 3 simulation of two-phase dynamics. The model is based on the principle of free energy minimization and invokes the Gibbs-Duhem equation in the formulation of non-ideal forcing function. This was reported in detail in the last progress report. Part of the efforts during the last (no-cost extension) year were focused on developing a parallel capability for the 2D as well as for the 3D codes developed in this project. This will be reported in the final report. Here we report the work carried out on testing the AILB model for conditions including the thermal effects. A simplified thermal LB model, based on the thermal energy distribution approach, was developed. The simplifications are made after neglecting the viscous heat dissipation and the work done by pressure in the original thermal energy distribution model. Details of the model are presented here, followed by a discussion of the boundary conditions, and then results for some two-phase thermal problems.« less

Natural three-qubit interactions in one-way quantum computing

NASA Astrophysics Data System (ADS)

Tame, M. S.; Paternostro, M.; Kim, M. S.; Vedral, V.

2006-02-01

We address the effects of natural three-qubit interactions on the computational power of one-way quantum computation. A benefit of using more sophisticated entanglement structures is the ability to construct compact and economic simulations of quantum algorithms with limited resources. We show that the features of our study are embodied by suitably prepared optical lattices, where effective three-spin interactions have been theoretically demonstrated. We use this to provide a compact construction for the Toffoli gate. Information flow and two-qubit interactions are also outlined, together with a brief analysis of relevant sources of imperfection.

Multicanonical hybrid Monte Carlo algorithm: Boosting simulations of compact QED

NASA Astrophysics Data System (ADS)

Arnold, G.; Schilling, K.; Lippert, Th.

1999-03-01

We demonstrate that substantial progress can be achieved in the study of the phase structure of four-dimensional compact QED by a joint use of hybrid Monte Carlo and multicanonical algorithms through an efficient parallel implementation. This is borne out by the observation of considerable speedup of tunnelling between the metastable states, close to the phase transition, on the Wilson line. We estimate that the creation of adequate samples (with order 100 flip-flops) becomes a matter of half a year's run time at 2 Gflops sustained performance for lattices of size up to 244.

Compact and portable multiline UV and visible Raman lasers in hydrogen-filled HC-PCF.

PubMed

Wang, Y Y; Couny, F; Light, P S; Mangan, B J; Benabid, F

2010-04-15

We report on the realization of compact UV visible multiline Raman lasers based on two types of hydrogen-filled hollow-core photonic crystal fiber. The first, with a large pitch Kagome lattice structure, offers a broad spectral coverage from near IR through to the much sought after yellow, deep-blue and UV, whereas the other, based on photonic bandgap guidance, presents a pump conversion concentrated in the visible region. The high Raman efficiency achieved through these fibers allows for compact, portable diode-pumped solid-state lasers to be used as pumps. Each discrete component of this laser system exhibits a spectral density several orders of magnitude larger than what is achieved with supercontinuum sources and a narrow linewidth, making it an ideal candidate for forensics and biomedical applications.

Trimming of silicon ring resonator by electron beam induced compaction and strain.

PubMed

Schrauwen, J; Van Thourhout, D; Baets, R

2008-03-17

Silicon is becoming the preferable platform for future integrated components, mostly due to the mature and reliable fabrication capabilities of electronics industry. Nevertheless, even the most advanced fabrication technologies suffer from non-uniformity on wafer scale and on chip scale, causing variations in the critical dimensions of fabricated components. This is an important issue since photonic circuits, and especially cavities such as ring resonators, are extremely sensitive to these variations. In this paper we present a way to circumvent these problems by trimming using electron beam induced compaction of oxide in silicon on insulator. Volume compaction of the oxide cladding causes both changes in the refractive index and creates strain in the silicon lattice. We demonstrate a resonance wavelength red shift 4.91 nm in a silicon ring resonator.

S-Layer Protein-Based Biosensors.

PubMed

Schuster, Bernhard

2018-04-11

The present paper highlights the application of bacterial surface (S-) layer proteins as versatile components for the fabrication of biosensors. One technologically relevant feature of S-layer proteins is their ability to self-assemble on many surfaces and interfaces to form a crystalline two-dimensional (2D) protein lattice. The S-layer lattice on the surface of a biosensor becomes part of the interface architecture linking the bioreceptor to the transducer interface, which may cause signal amplification. The S-layer lattice as ultrathin, highly porous structure with functional groups in a well-defined special distribution and orientation and an overall anti-fouling characteristics can significantly raise the limit in terms of variety and the ease of bioreceptor immobilization, compactness of bioreceptor molecule arrangement, sensitivity, specificity, and detection limit for many types of biosensors. The present paper discusses and summarizes examples for the successful implementation of S-layer lattices on biosensor surfaces in order to give a comprehensive overview on the application potential of these bioinspired S-layer protein-based biosensors.

Effect of fermentation media on the production, efficacy and storage stability of Metarhizium brunneum microsclerotia formulated as a prototype granule

USDA-ARS?s Scientific Manuscript database

New liquid fermentation techniques for the production of the bioinsecticidal fungus Metarhizium brunneum strain F-52 have resulted in the formation of microsclerotia (MS), a compact, melonized-hyphal structure capable of surviving desiccation and formulation as dry granules. When rehydrated, these M...

Quantum Stress: Density Functional Theory Formulation and Physical Manifestation

NASA Astrophysics Data System (ADS)

Hu, Hao; Liu, Feng

2012-02-01

The concept of ``quantum stress (QS)'' is introduced and formulated within density functional theory (DFT), to underlie extrinsic electronic effects on the stress state of solids and thin films in the absence of lattice strain. An explicit expression of QS (σ^Q) is derived in relation to the deformation potential of electronic states (ξ) and the variation of electron density (δn), σ^Q=ξ(δn), as a quantum analog of classical Hook's law. Two distinct QS manifestations are demonstrated quantitatively by DFT calculations: (1) in the form of bulk stress induced by charge carriers; and (2) in the form of surface stress induced by quantum confinement. QS has broad implications in physical phenomena and technological applications that are based on coupling of electronic structure with lattice strain.

{ital R}-matrix theory, formal Casimirs and the periodic Toda lattice

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

Morosi, C.; Pizzocchero, L.

The nonunitary {ital r}-matrix theory and the associated bi- and triHamiltonian schemes are considered. The language of Poisson pencils and of their formal Casimirs is applied in this framework to characterize the biHamiltonian chains of integrals of motion, pointing out the role of the Schur polynomials in these constructions. This formalism is subsequently applied to the periodic Toda lattice. Some different algebraic settings and Lax formulations proposed in the literature for this system are analyzed in detail, and their full equivalence is exploited. In particular, the equivalence between the loop algebra approach and the method of differential-difference operators is illustrated;more » moreover, two alternative Lax formulations are considered, and appropriate reduction algorithms are found in both cases, allowing us to derive the multiHamiltonian formalism from {ital r}-matrix theory. The systems of integrals for the periodic Toda lattice known after Flaschka and H{acute e}non, and their functional relations, are recovered through systematic application of the previously outlined schemes. {copyright} {ital 1996 American Institute of Physics.}« less

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.

Convergence of the chiral expansion in two-flavor lattice QCD.

PubMed

Noaki, J; Aoki, S; Chiu, T W; Fukaya, H; Hashimoto, S; Hsieh, T H; Kaneko, T; Matsufuru, H; Onogi, T; Shintani, E; Yamada, N

2008-11-14

We test the convergence property of the chiral perturbation theory using a lattice QCD calculation of pion mass and decay constant with two dynamical quark flavors. The lattice calculation is performed using the overlap fermion formulation, which realizes exact chiral symmetry at finite lattice spacing. By comparing various expansion prescriptions, we find that the chiral expansion is well saturated at the next-to-leading order for pions lighter than approximately 450 MeV. Better convergence behavior is found, in particular, for a resummed expansion parameter xi, with which the lattice data in the pion mass region 290-750 MeV can be fitted well with the next-to-next-to-leading order formulas. We obtain the results in two-flavor QCD for the low energy constants l[over ]_{3} and l[over ]_{4} as well as the pion decay constant, the chiral condensate, and the average up and down quark mass.

Cellular automaton formulation of passive scalar dynamics

NASA Technical Reports Server (NTRS)

Chen, Hudong; Matthaeus, William H.

1987-01-01

Cellular automata modeling of the advection of a passive scalar in a two-dimensional flow is examined in the context of discrete lattice kinetic theory. It is shown that if the passive scalar is represented by tagging or 'coloring' automation particles a passive advection-diffusion equation emerges without use of perturbation expansions. For the specific case of the hydrodynamic lattice gas model of Frisch et al. (1986), the diffusion coefficient is calculated by perturbation.

Strangeness S =-1 hyperon-nucleon interactions: Chiral effective field theory versus lattice QCD

NASA Astrophysics Data System (ADS)

Song, Jing; Li, Kai-Wen; Geng, Li-Sheng

2018-06-01

Hyperon-nucleon interactions serve as basic inputs to studies of hypernuclear physics and dense (neutron) stars. Unfortunately, a precise understanding of these important quantities has lagged far behind that of the nucleon-nucleon interaction due to lack of high-precision experimental data. Historically, hyperon-nucleon interactions are either formulated in quark models or meson exchange models. In recent years, lattice QCD simulations and chiral effective field theory approaches start to offer new insights from first principles. In the present work, we contrast the state-of-the-art lattice QCD simulations with the latest chiral hyperon-nucleon forces and show that the leading order relativistic chiral results can already describe the lattice QCD data reasonably well. Given the fact that the lattice QCD simulations are performed with pion masses ranging from the (almost) physical point to 700 MeV, such studies provide a useful check on both the chiral effective field theory approaches as well as lattice QCD simulations. Nevertheless more precise lattice QCD simulations are eagerly needed to refine our understanding of hyperon-nucleon interactions.

Fast algorithms for chiral fermions in 2 dimensions

NASA Astrophysics Data System (ADS)

Hyka (Xhako), Dafina; Osmanaj (Zeqirllari), Rudina

2018-03-01

In lattice QCD simulations the formulation of the theory in lattice should be chiral in order that symmetry breaking happens dynamically from interactions. In order to guarantee this symmetry on the lattice one uses overlap and domain wall fermions. On the other hand high computational cost of lattice QCD simulations with overlap or domain wall fermions remains a major obstacle of research in the field of elementary particles. We have developed the preconditioned GMRESR algorithm as fast inverting algorithm for chiral fermions in U(1) lattice gauge theory. In this algorithm we used the geometric multigrid idea along the extra dimension.The main result of this work is that the preconditioned GMRESR is capable to accelerate the convergence 2 to 12 times faster than the other optimal algorithms (SHUMR) for different coupling constant and lattice 32x32. Also, in this paper we tested it for larger lattice size 64x64. From the results of simulations we can see that our algorithm is faster than SHUMR. This is a very promising result that this algorithm can be adapted also in 4 dimension.

Compact localized states and flat bands from local symmetry partitioning

NASA Astrophysics Data System (ADS)

Röntgen, M.; Morfonios, C. V.; Schmelcher, P.

2018-01-01

We propose a framework for the connection between local symmetries of discrete Hamiltonians and the design of compact localized states. Such compact localized states are used for the creation of tunable, local symmetry-induced bound states in an energy continuum and flat energy bands for periodically repeated local symmetries in one- and two-dimensional lattices. The framework is based on very recent theorems in graph theory which are here employed to obtain a block partitioning of the Hamiltonian induced by the symmetry of a given system under local site permutations. The diagonalization of the Hamiltonian is thereby reduced to finding the eigenspectra of smaller matrices, with eigenvectors automatically divided into compact localized and extended states. We distinguish between local symmetry operations which commute with the Hamiltonian, and those which do not commute due to an asymmetric coupling to the surrounding sites. While valuable as a computational tool for versatile discrete systems with locally symmetric structures, the approach provides in particular a unified, intuitive, and efficient route to the flexible design of compact localized states at desired energies.

Quantum return probability of a system of N non-interacting lattice fermions

NASA Astrophysics Data System (ADS)

Krapivsky, P. L.; Luck, J. M.; Mallick, K.

2018-02-01

We consider N non-interacting fermions performing continuous-time quantum walks on a one-dimensional lattice. The system is launched from a most compact configuration where the fermions occupy neighboring sites. We calculate exactly the quantum return probability (sometimes referred to as the Loschmidt echo) of observing the very same compact state at a later time t. Remarkably, this probability depends on the parity of the fermion number—it decays as a power of time for even N, while for odd N it exhibits periodic oscillations modulated by a decaying power law. The exponent also slightly depends on the parity of N, and is roughly twice smaller than what it would be in the continuum limit. We also consider the same problem, and obtain similar results, in the presence of an impenetrable wall at the origin constraining the particles to remain on the positive half-line. We derive closed-form expressions for the amplitudes of the power-law decay of the return probability in all cases. The key point in the derivation is the use of Mehta integrals, which are limiting cases of the Selberg integral.

Canonical quantization of general relativity in discrete space-times.

PubMed

Gambini, Rodolfo; Pullin, Jorge

2003-01-17

It has long been recognized that lattice gauge theory formulations, when applied to general relativity, conflict with the invariance of the theory under diffeomorphisms. We analyze discrete lattice general relativity and develop a canonical formalism that allows one to treat constrained theories in Lorentzian signature space-times. The presence of the lattice introduces a "dynamical gauge" fixing that makes the quantization of the theories conceptually clear, albeit computationally involved. The problem of a consistent algebra of constraints is automatically solved in our approach. The approach works successfully in other field theories as well, including topological theories. A simple cosmological application exhibits quantum elimination of the singularity at the big bang.

Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1996-03-01

In the lattice formulation of the Heavy Quark Effective Theory (LHQET), the "classical velocity" v becomes renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. The renormalization is finite and depends on the form of the decretization of the reduced heavy quark Dirac equation. For the Forward Time — Centered Space discretization, the renormalization is computed both perturbatively, to one loop, and non-perturbatively using two ensembles of lattices, one at β = 5.7 and the other at β = 6.1 The estimates agree, and indicate that for small classical velocities, ν→ is reduced by about 25-30%.

Nonlattice simulation for supersymmetric gauge theories in one dimension.

PubMed

Hanada, Masanori; Nishimura, Jun; Takeuchi, Shingo

2007-10-19

Lattice simulation of supersymmetric gauge theories is not straightforward. In some cases the lack of manifest supersymmetry just necessitates cumbersome fine-tuning, but in the worse cases the chiral and/or Majorana nature of fermions makes it difficult to even formulate an appropriate lattice theory. We propose circumventing all these problems inherent in the lattice approach by adopting a nonlattice approach for one-dimensional supersymmetric gauge theories, which are important in the string or M theory context. In particular, our method can be used to investigate the gauge-gravity duality from first principles, and to simulate M theory based on the matrix theory conjecture.

Multigrid for Staggered Lattice Fermions

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

Brower, Richard C.; Clark, M. A.; Strelchenko, Alexei

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

Quantum Monte Carlo Simulation of Frustrated Kondo Lattice Models

NASA Astrophysics Data System (ADS)

Sato, Toshihiro; Assaad, Fakher F.; Grover, Tarun

2018-03-01

The absence of the negative sign problem in quantum Monte Carlo simulations of spin and fermion systems has different origins. World-line based algorithms for spins require positivity of matrix elements whereas auxiliary field approaches for fermions depend on symmetries such as particle-hole symmetry. For negative-sign-free spin and fermionic systems, we show that one can formulate a negative-sign-free auxiliary field quantum Monte Carlo algorithm that allows Kondo coupling of fermions with the spins. Using this general approach, we study a half-filled Kondo lattice model on the honeycomb lattice with geometric frustration. In addition to the conventional Kondo insulator and antiferromagnetically ordered phases, we find a partial Kondo screened state where spins are selectively screened so as to alleviate frustration, and the lattice rotation symmetry is broken nematically.

The effects of temperature on the lattice barrier for twin wall motion

NASA Astrophysics Data System (ADS)

Zreihan, Noam; Faran, Eilon; Shilo, Doron

2015-07-01

The sideways motion of twin walls in ferroic materials requires overcoming an intrinsic energy barrier that originates from the periodicity of the crystal structure. Here, we measure the temperature dependence of the lattice barrier in a ferromagnetic Ni-Mn-Ga crystal using the pulsed magnetic field method. Our results reveal a monotonic decrease in the lattice barrier with increasing temperature. Yet, the barrier does not vanish as the temperature approaches the temperature of the martensite to austenite transformation. These findings enable the formulation of an analytical expression that correlates the lattice barrier to the physical properties of the twin wall, such as its thickness and the associated transformation strain. The derived relation provides a good quantitative description of the data measured in Ni-Mn-Ga.

Effective elastic moduli of triangular lattice material with defects

NASA Astrophysics Data System (ADS)

Liu, Xiaoyu; Liang, Naigang

2012-10-01

This paper presents an attempt to extend homogenization analysis for the effective elastic moduli of triangular lattice materials with microstructural defects. The proposed homogenization method adopts a process based on homogeneous strain boundary conditions, the micro-scale constitutive law and the micro-to-macro static operator to establish the relationship between the macroscopic properties of a given lattice material to its micro-discrete behaviors and structures. Further, the idea behind Eshelby's equivalent eigenstrain principle is introduced to replace a defect distribution by an imagining displacement field (eigendisplacement) with the equivalent mechanical effect, and the triangular lattice Green's function technique is developed to solve the eigendisplacement field. The proposed method therefore allows handling of different types of microstructural defects as well as its arbitrary spatial distribution within a general and compact framework. Analytical closed-form estimations are derived, in the case of the dilute limit, for all the effective elastic moduli of stretch-dominated triangular lattices containing fractured cell walls and missing cells, respectively. Comparison with numerical results, the Hashin-Shtrikman upper bounds and uniform strain upper bounds are also presented to illustrate the predictive capability of the proposed method for lattice materials. Based on this work, we propose that not only the effective Young's and shear moduli but also the effective Poisson's ratio of triangular lattice materials depend on the number density of fractured cell walls and their spatial arrangements.

Multilayer DNA Origami Packed on a Square Lattice

PubMed Central

Ke, Yonggang; Douglas, Shawn M.; Liu, Minghui; Sharma, Jaswinder; Cheng, Anchi; Leung, Albert; Liu, Yan; Shih, William M.; Yan, Hao

2009-01-01

Molecular self-assembly using DNA as a structural building block has proven to be an efficient route to the construction of nanoscale objects and arrays of increasing complexity. Using the remarkable “scaffolded DNA origami” strategy, Rothemund demonstrated that a long single-stranded DNA from a viral genome (M13) can be folded into a variety of custom two-dimensional (2D) shapes using hundreds of short synthetic DNA molecules as staple strands. More recently, we generalized a strategy to build custom-shaped, three-dimensional (3D) objects formed as pleated layers of helices constrained to a honeycomb lattice, with precisely controlled dimensions ranging from 10 to 100 nm. Here we describe a more compact design for 3D origami, with layers of helices packed on a square lattice, that can be folded successfully into structures of designed dimensions in a one-step annealing process, despite the increased density of DNA helices. A square lattice provides a more natural framework for designing rectangular structures, the option for a more densely packed architecture, and the ability to create surfaces that are more flat than is possible with the honeycomb lattice. Thus enabling the design and construction of custom 3D shapes from helices packed on a square lattice provides a general foundational advance for increasing the versatility and scope of DNA nanotechnology. PMID:19807088

A multi-block adaptive solving technique based on lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Zhang, Yang; Xie, Jiahua; Li, Xiaoyue; Ma, Zhenghai; Zou, Jianfeng; Zheng, Yao

2018-05-01

In this paper, a CFD parallel adaptive algorithm is self-developed by combining the multi-block Lattice Boltzmann Method (LBM) with Adaptive Mesh Refinement (AMR). The mesh refinement criterion of this algorithm is based on the density, velocity and vortices of the flow field. The refined grid boundary is obtained by extending outward half a ghost cell from the coarse grid boundary, which makes the adaptive mesh more compact and the boundary treatment more convenient. Two numerical examples of the backward step flow separation and the unsteady flow around circular cylinder demonstrate the vortex structure of the cold flow field accurately and specifically.

Ultracompact photonic crystal polarization beam splitter based on multimode interference.

PubMed

Lu, Ming-Feng; Liao, Shan-Mei; Huang, Yang-Tung

2010-02-01

We propose a theoretical design for a compact photonic crystal (PC) polarization beam splitter (PBS) based on the multimode interference (MMI) effect. The size of a conventional MMI device designed by the self-imaging principle is not compact enough; therefore, we design a compact PC PBS based on the difference of the interference effect between TE and TM modes. Within the MMI coupler, the dependence of interference of modes on propagation distance is weak for a TE wave and strong for a TM wave; as a result, the length of the MMI section can be only seven lattice constants. Simulation results show that the insertion losses are 0.32 and 0.89 dB, and the extinction ratios are 14.4 and 17.5 dB for Port 1 (TE mode) and Port 2 (TM mode), respectively.

An investigation into the impact of magnesium stearate on powder feeding during roller compaction.

PubMed

Dawes, Jason; Gamble, John F; Greenwood, Richard; Robbins, Phil; Tobyn, Mike

2012-01-01

A systematic evaluation on the effect of magnesium stearate on the transmission of a placebo formulation from the hopper to the rolls during screw fed roller compaction has been carried out. It is demonstrated that, for a system with two 'knurled' rollers, addition of 0.5% w/w magnesium stearate can lead to a significant increase in ribbon mass throughput, with a consequential increase in roll gap, compared to an unlubricated formulation (manufactured at equivalent process conditions). However, this effect is reduced if one of the rollers is smooth. Roller compaction of a lubricated formulation using two smooth rollers was found to be ineffective due to a reduction in friction at the powder/roll interface, i.e. powder was not drawn through the rollers leading to a blockage in the feeding system. An increase in ribbon mass throughput could also be achieved if the equipment surfaces were pre-lubricated. However this increase was found to be temporary suggesting that the residual magnesium stearate layer was removed from the equipment surfaces. Powder sticking to the equipment surfaces, which is common during pharmaceutical manufacturing, was prevented if magnesium stearate was present either in the blend, or at the roll surface. It is further demonstrated that the influence of the hopper stirrer, which is primarily used to prevent bridge formation in the hopper and help draw powder more evenly into the auger chamber, can lead to further mixing of the formulation, and could therefore affect a change in the lubricity of the carefully blended input material.

Benchmark results in the 2D lattice Thirring model with a chemical potential

NASA Astrophysics Data System (ADS)

Ayyar, Venkitesh; Chandrasekharan, Shailesh; Rantaharju, Jarno

2018-03-01

We study the two-dimensional lattice Thirring model in the presence of a fermion chemical potential. Our model is asymptotically free and contains massive fermions that mimic a baryon and light bosons that mimic pions. Hence, it is a useful toy model for QCD, especially since it, too, suffers from a sign problem in the auxiliary field formulation in the presence of a fermion chemical potential. In this work, we formulate the model in both the world line and fermion-bag representations and show that the sign problem can be completely eliminated with open boundary conditions when the fermions are massless. Hence, we are able accurately compute a variety of interesting quantities in the model, and these results could provide benchmarks for other methods that are being developed to solve the sign problem in QCD.

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

PubMed Central

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

2016-01-01

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

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

PubMed

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

2016-02-29

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

New Baseline Design of the ILC RTML System

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

Seletskiy, S.; Kapin, V. V.; Solyak, N.

2012-05-01

The new ILC baseline was proposed in 2009 (Strawman baseline - SB2009) to minimize cost of the machine and accommodate many changes made in the design of the accelerator systems. The biggest changes are made in the central area, where BDS, RTM L, DR, electron and positron sources are sharing the tunnels. A new layout of the compact DR and re-location of the electron and positron sources to the main tunnel requires a new lattice design for all beamlines in this area. The lattice design was coord inated between accelerator systems and Convention Facility and Siting (CFS) group to eliminatemore » conflicts between beamlines and satisfy construction requirements. In this paper we present a new design of the RTML electron and positron lattices in the centr al area and other modifications made in the RTML line to accommodate changes to the beamline layouts.« less

Entropic lattice Boltzmann representations required to recover Navier-Stokes flows.

PubMed

Keating, Brian; Vahala, George; Yepez, Jeffrey; Soe, Min; Vahala, Linda

2007-03-01

There are two disparate formulations of the entropic lattice Boltzmann scheme: one of these theories revolves around the analog of the discrete Boltzmann H function of standard extensive statistical mechanics, while the other revolves around the nonextensive Tsallis entropy. It is shown here that it is the nonenforcement of the pressure tensor moment constraints that lead to extremizations of entropy resulting in Tsallis-like forms. However, with the imposition of the pressure tensor moment constraint, as is fundamentally necessary for the recovery of the Navier-Stokes equations, it is proved that the entropy function must be of the discrete Boltzmann form. Three-dimensional simulations are performed which illustrate some of the differences between standard lattice Boltzmann and entropic lattice Boltzmann schemes, as well as the role played by the number of phase-space velocities used in the discretization.

Two-photon decay of the neutral pion in lattice QCD.

PubMed

Feng, Xu; Aoki, Sinya; Fukaya, Hidenori; Hashimoto, Shoji; Kaneko, Takashi; Noaki, Jun-Ichi; Shintani, Eigo

2012-11-02

We perform a nonperturbative calculation of the π(0) → γγ transition form factor and the associated decay width using lattice QCD. The amplitude for a two-photon final state, which is not an eigenstate of QCD, is extracted through a Euclidean time integral of the relevant three-point function. We utilize the all-to-all quark propagator technique to carry out this integration as well as to include the disconnected quark diagram contributions. The overlap fermion formulation is employed on the lattice to ensure exact chiral symmetry on the lattice. After examining various sources of systematic effects, except for a possible discretization effect, we obtain Γπ(0) → γγ = 7.83(31)(49) eV for the pion decay width, where the first error is statistical and the second is our estimate of the systematic error.

Perturbative matching of lattice and continuum heavy-light currents with NRQCD heavy quarks

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

Morningstar, C.J.; Shigemitsu, J.

1999-05-01

The temporal and spatial components of the heavy-light vector current and the spatial components of the axial-vector current are expressed in terms of lattice-regulated operators suitable for simulations of {ital B} and {ital D} mesons. The currents are constructed by matching the appropriate scattering amplitudes in continuum QCD and a lattice model to one-loop order in perturbation theory. In the lattice theory, the heavy quarks are treated using the nonrelativistic (NRQCD) formulation and the light quarks are described by the tadpole-improved clover action. The light quarks are treated as massless. Our currents include relativistic and discretization corrections through O({alpha}{sub s}/M,a{alpha}{submore » s}), where {ital M} is the heavy-quark mass, {ital a} is the lattice spacing, and {alpha}{sub s} is the QCD coupling. As in our previous construction of the temporal component of the heavy-light axial-vector current, mixing between several lattice operators is encountered at one-loop order, and O(a{alpha}{sub s}) dimension-four improvement terms are identified. {copyright} {ital 1999} {ital The American Physical Society}« less

Involving the Navier-Stokes equations in the derivation of boundary conditions for the lattice Boltzmann method.

PubMed

Verschaeve, Joris C G

2011-06-13

By means of the continuity equation of the incompressible Navier-Stokes equations, additional physical arguments for the derivation of a formulation of the no-slip boundary condition for the lattice Boltzmann method for straight walls at rest are obtained. This leads to a boundary condition that is second-order accurate with respect to the grid spacing and conserves mass. In addition, the boundary condition is stable for relaxation frequencies close to two.

Hamiltonian and potentials in derivative pricing models: exact results and lattice simulations

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.; Corianò, Claudio; Srikant, Marakani

2004-03-01

The pricing of options, warrants and other derivative securities is one of the great success of financial economics. These financial products can be modeled and simulated using quantum mechanical instruments based on a Hamiltonian formulation. We show here some applications of these methods for various potentials, which we have simulated via lattice Langevin and Monte Carlo algorithms, to the pricing of options. We focus on barrier or path dependent options, showing in some detail the computational strategies involved.

A novel heterogeneous algorithm to simulate multiphase flow in porous media on multicore CPU-GPU systems

NASA Astrophysics Data System (ADS)

McClure, J. E.; Prins, J. F.; Miller, C. T.

2014-07-01

Multiphase flow implementations of the lattice Boltzmann method (LBM) are widely applied to the study of porous medium systems. In this work, we construct a new variant of the popular "color" LBM for two-phase flow in which a three-dimensional, 19-velocity (D3Q19) lattice is used to compute the momentum transport solution while a three-dimensional, seven velocity (D3Q7) lattice is used to compute the mass transport solution. Based on this formulation, we implement a novel heterogeneous GPU-accelerated algorithm in which the mass transport solution is computed by multiple shared memory CPU cores programmed using OpenMP while a concurrent solution of the momentum transport is performed using a GPU. The heterogeneous solution is demonstrated to provide speedup of 2.6 × as compared to multi-core CPU solution and 1.8 × compared to GPU solution due to concurrent utilization of both CPU and GPU bandwidths. Furthermore, we verify that the proposed formulation provides an accurate physical representation of multiphase flow processes and demonstrate that the approach can be applied to perform heterogeneous simulations of two-phase flow in porous media using a typical GPU-accelerated workstation.

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

One-loop calculations in Supersymmetric Lattice QCD

NASA Astrophysics Data System (ADS)

Costa, M.; Panagopoulos, H.

2017-03-01

We study the self energies of all particles which appear in a lattice regularization of supersymmetric QCD (N = 1). We compute, perturbatively to one-loop, the relevant two-point Green's functions using both the dimensional and the lattice regularizations. Our lattice formulation employs the Wilson fermion acrion for the gluino and quark fields. The gauge group that we consider is SU(Nc) while the number of colors, Nc and the number of flavors, Nf , are kept as generic parameters. We have also searched for relations among the propagators which are computed from our one-loop results. We have obtained analytic expressions for the renormalization functions of the quark field (Zψ), gluon field (Zu), gluino field (Zλ) and squark field (ZA±). We present here results from dimensional regularization, relegating to a forthcoming publication [1] our results along with a more complete list of references. Part of the lattice study regards also the renormalization of quark bilinear operators which, unlike the nonsupersymmetric case, exhibit a rich pattern of operator mixing at the quantum level.

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.

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

NASA Astrophysics Data System (ADS)

Challapalli, Adithya

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

Antiferroelectric Materials, Applications and Recent Progress on Multiferroic Heterostructures

NASA Astrophysics Data System (ADS)

Zhou, Ziyao; Yang, Qu; Liu, Ming; Zhang, Zhiguo; Zhang, Xinyang; Sun, Dazhi; Nan, Tianxiang; Sun, Nianxiang; Chen, Xing

2015-04-01

Antiferroelectric (AFE) materials with adjacent dipoles oriented in antiparallel directions have a double polarization hysteresis loops. An electric field (E-field)-induced AFE-ferroelectric (FE) phase transition takes place in such materials, leading to a large lattice strain and energy change. The high dielectric constant and the distinct phase transition in AFE materials provide great opportunities for the realization of energy storage devices like super-capacitors and energy conversion devices such as AFE MEMS applications. Lots of work has been done in this field since 60-70 s. Recently, the strain tuning of the spin, charge and orbital orderings and their interactions in complex oxides and multiferroic heterostructures have received great attention. In these systems, a single control parameter of lattice strain is used to control lattice-spin, lattice-phonon, and lattice-charge interactions and tailor properties or create a transition between distinct magnetic/electronic phases. Due to the large strain/stress arising from the phase transition, AFE materials are great candidates for integrating with ferromagnetic (FM) materials to realize in situ manipulation of magnetism and lattice-ordered parameters by voltage. In this paper, we introduce the AFE material and it's applications shortly and then review the recent progress in AFEs based on multiferroic heterostructures. These new multiferroic materials could pave a new way towards next generation light, compact, fast and energy efficient voltage tunable RF/microwave, spintronic and memory devices promising approaches to in situ manipulation of lattice-coupled order parameters is to grow epitaxial oxide films on FE/ferroelastic substrates.

Effective High-Frequency Permeability of Compacted Metal Powders

NASA Astrophysics Data System (ADS)

Volkovskaya, I. I.; Semenov, V. E.; Rybakov, K. I.

2018-03-01

We propose a model for determination of the effective complex permeability of compacted metal-powder media. It is based on the equality of the magnetic moment in a given volume of the media with the desired effective permeability to the total magnetic moment of metal particles in the external high-frequency magnetic field, which arises due to excitation of electric eddy currents in the particles. Calculations within the framework of the proposed model allow us to refine the values of the real and imaginary components of the permeability of metal powder compacts in the microwave band. The conditions of applicability of the proposed model are formulated, and their fulfillment is verified for metal powder compacts in the microwave and millimeter wavelength bands.

Lattice Boltzmann formulation for conjugate heat transfer in heterogeneous media.

PubMed

Karani, Hamid; Huber, Christian

2015-02-01

In this paper, we propose an approach for studying conjugate heat transfer using the lattice Boltzmann method (LBM). The approach is based on reformulating the lattice Boltzmann equation for solving the conservative form of the energy equation. This leads to the appearance of a source term, which introduces the jump conditions at the interface between two phases or components with different thermal properties. The proposed source term formulation conserves conductive and advective heat flux simultaneously, which makes it suitable for modeling conjugate heat transfer in general multiphase or multicomponent systems. The simple implementation of the source term approach avoids any correction of distribution functions neighboring the interface and provides an algorithm that is independent from the topology of the interface. Moreover, our approach is independent of the choice of lattice discretization and can be easily applied to different advection-diffusion LBM solvers. The model is tested against several benchmark problems including steady-state convection-diffusion within two fluid layers with parallel and normal interfaces with respect to the flow direction, unsteady conduction in a three-layer stratified domain, and steady conduction in a two-layer annulus. The LBM results are in excellent agreement with analytical solution. Error analysis shows that our model is first-order accurate in space, but an extension to a second-order scheme is straightforward. We apply our LBM model to heat transfer in a two-component heterogeneous medium with a random microstructure. This example highlights that the method we propose is independent of the topology of interfaces between the different phases and, as such, is ideally suited for complex natural heterogeneous media. We further validate the present LBM formulation with a study of natural convection in a porous enclosure. The results confirm the reliability of the model in simulating complex coupled fluid and thermal dynamics in complex geometries.

The Space Optical Clock project: status and perspectives

NASA Astrophysics Data System (ADS)

Schiller, Stephan; Tino, Guglielmo M.; Sterr, Uwe; Lemonde, Pierre; Görlitz, Axel; Salomon, Christophe

The Space Optical Clocks project aims at operating lattice clocks on the ISS for tests of funda-mental physics and for providing high-accuracy comparisons of future terrestrial optical clocks. A pre-phase-A study (2007-10), funded partially by ESA and DLR, includes the implementa-tion of several optical lattice clock systems using Strontium and Ytterbium as atomic systems and their characterization. Subcomponents of clock demonstrators with the added specification of transportability and using techniques that are suitable for later space use, such as all-solid-state lasers, low power consumption, and compact dimensions, have been developed and are being validated. The talk will give a brief overview over the achieved results and outline future developments.

Novel mesalamine-loaded beads in tablets for delayed release of drug to the colon.

PubMed

Nguyen, Chien; Christensen, J Mark; Ayres, James W

2012-01-01

Novel 'beads-in-a-tablet' formulations (total weight ∼740-780 mg) have been prepared that meet USP 31 requirements for Delayed Release of mesalamine. Several methods are presented that overcome breakage of beads during tablet compaction were explored. Bead formulations comprise a combination of extrusion and spheronization to produce a relatively high drug load (80%), followed by coating (25%) with a colonic-targeted drug release polymer (polymethacrylates, Eudragit(®) S100), overcoated (3%) with hydroxypropyl methylcellulose (Opadry(®)) to improve bead binding and compactability, and using 20% coat of lactose/sodium starch glycolate (Explotab(®)) as binder/disintegrant/cushioning agent, thus allowing a sufficiently thick coating to be uniform and without being broken during tablet compaction. Then, the aforementioned beads were compressed into tablets at 1500 pounds of pressure containing 400 mg of mesalamine, and finally coating the compressed tablets with Surelease(®) (ethylcellulose):Opadry(®) = 1:0.5 ranging from 1.5-2.5% weight gain; the resulting tablets met USP 31 dissolution requirements for delayed release tablets.

Fermion number anomaly with the fluffy mirror fermion

NASA Astrophysics Data System (ADS)

Okumura, Ken-ichi; Suzuki, Hiroshi

2016-12-01

Quite recently, Grabowska and Kaplan presented a 4-dimensional lattice formulation of chiral gauge theories based on the chiral overlap operator. We study this formulation from the perspective of the fermion number anomaly and possible associated phenomenology. A simple argument shows that the consistency of the formulation implies that the fermion with the opposite chirality to the physical one, the "fluffy mirror fermion" or "fluff", suffers from the fermion number anomaly in the same magnitude (with the opposite sign) as the physical fermion. This immediately shows that if at least one of the fluff quarks is massless, the formulation provides a simple viable solution to the strong CP problem. Also, if the fluff interacts with gravity essentially in the same way as the physical fermion, the formulation can realize the asymmetric dark matter scenario.

Direct compression of chitosan: process and formulation factors to improve powder flow and tablet performance.

PubMed

Buys, Gerhard M; du Plessis, Lissinda H; Marais, Andries F; Kotze, Awie F; Hamman, Josias H

2013-06-01

Chitosan is a polymer derived from chitin that is widely available at relatively low cost, but due to compression challenges it has limited application for the production of direct compression tablets. The aim of this study was to use certain process and formulation variables to improve manufacturing of tablets containing chitosan as bulking agent. Chitosan particle size and flow properties were determined, which included bulk density, tapped density, compressibility and moisture uptake. The effect of process variables (i.e. compression force, punch depth, percentage compaction in a novel double fill compression process) and formulation variables (i.e. type of glidant, citric acid, pectin, coating with Eudragit S®) on chitosan tablet performance (i.e. mass variation, tensile strength, dissolution) was investigated. Moisture content of the chitosan powder, particle size and the inclusion of glidants had a pronounced effect on its flow ability. Varying the percentage compaction during the first cycle of a double fill compression process produced chitosan tablets with more acceptable tensile strength and dissolution rate properties. The inclusion of citric acid and pectin into the formulation significantly decreased the dissolution rate of isoniazid from the tablets due to gel formation. Direct compression of chitosan powder into tablets can be significantly improved by the investigated process and formulation variables as well as applying a double fill compression process.

Formulation and development of tablets based on Ludipress and scale-up from laboratory to production scale.

PubMed

Heinz, R; Wolf, H; Schuchmann, H; End, L; Kolter, K

2000-05-01

In spite of the wealth of experience available in the pharmaceutical industry, tablet formulations are still largely developed on an empirical basis, and the scale-up from laboratory to production is a time-consuming and costly process. Using Ludipress greatly simplifies formulation development and the manufacturing process because only the active ingredient Ludipress and a lubricant need to be mixed briefly before being compressed into tablets. The studies described here were designed to investigate the scale-up of Ludipress-based formulations from laboratory to production scale, and to predict changes in tablet properties due to changes in format, compaction pressure, and the use of different tablet presses. It was found that the tensile strength of tablets made of Ludipress increased linearly with compaction pressures up to 300 MPa. It was also independent of the geometry of the tablets (diameter, thickness, shape). It is therefore possible to give an equation with which the compaction pressure required to achieve a given hardness can be calculated for a given tablet form. The equation has to be modified slightly to convert from a single-punch press to a rotary tableting machine. Tablets produced in the rotary machine at the same pressure have a slightly higher tensile strength. The rate of increase in pressure, and therefore the throughput, has no effect on the tensile strength of Ludipress tablets. It is thought that a certain minimum dwell time is responsible for this difference. The production of tablets based on Ludipress can be scaled up from one rotary press to another without problem if the powder mixtures are prepared with the same mixing energy. The tensile strength curve determined for tablets made with Ludipress alone can also be applied to tablets with a small quantity (< 10%) of an active ingredient.

Uncertain dynamical systems: A differential game approach

NASA Technical Reports Server (NTRS)

Gutman, S.

1976-01-01

A class of dynamical systems in a conflict situation is formulated and discussed, and the formulation is applied to the study of an important class of systems in the presence of uncertainty. The uncertainty is deterministic and the only assumption is that its value belongs to a known compact set. Asymptotic stability is fully discussed with application to variable structure and model reference control systems.

Lattice and compact family block designs in forest genetics

Treesearch

E. Bayne Snyder

1966-01-01

One of the principles of experimental design is that replicates be relatively homogeneous. Thus, in forest research a replicate is often assigned to a single crew for planting in a single day on a uniform site. When treatments are numerous, a large area is required per replication, and homogeneity of site is difficult to achieve. In this situation, crop scientists (...

Diffraction-limited storage-ring vacuum technology

PubMed Central

Al-Dmour, Eshraq; Ahlback, Jonny; Einfeld, Dieter; Tavares, Pedro Fernandes; Grabski, Marek

2014-01-01

Some of the characteristics of recent ultralow-emittance storage-ring designs and possibly future diffraction-limited storage rings are a compact lattice combined with small magnet apertures. Such requirements present a challenge for the design and performance of the vacuum system. The vacuum system should provide the required vacuum pressure for machine operation and be able to handle the heat load from synchrotron radiation. Small magnet apertures result in the conductance of the chamber being low, and lumped pumps are ineffective. One way to provide the required vacuum level is by distributed pumping, which can be realised by the use of a non-evaporable getter (NEG) coating of the chamber walls. It may not be possible to use crotch absorbers to absorb the heat from the synchrotron radiation because an antechamber is difficult to realise with such a compact lattice. To solve this, the chamber walls can work as distributed absorbers if they are made of a material with good thermal conductivity, and distributed cooling is used at the location where the synchrotron radiation hits the wall. The vacuum system of the 3 GeV storage ring of MAX IV is used as an example of possible solutions for vacuum technologies for diffraction-limited storage rings. PMID:25177979

Free-boundary PIES Calculations

NASA Astrophysics Data System (ADS)

Monticello, D. A.; Reiman, A. H.; Arndt, S. C.; Merkel, P. K.

1998-11-01

A new formulation of the free boundary problem for general three-dimensional configurations has been formulated for the PIES( Reiman, A. H., Greenside, H. S., Compt. Phys. Commun. 43), (1986). code. The new formulation is more flexible and is faster that the original formulation described in Merkel et al(Merkel, P., Johnson, J. L., Monticello, D.A., et al., Proceedings of the Fourteenth International Conference on Plasma Physics and Controlled Nuclear Fusion Research paper IAEA-CN-60 | D-P-II-10) (1994) . These advantages will be described and first results of the application of this new algorithm to W7-X and NCSX (National Compact Stellarator Experiment) configurations will be presented.

Fabrication methods for low impedance lithium polymer electrodes

DOEpatents

Chern, T.S.; MacFadden, K.O.; Johnson, S.L.

1997-12-16

A process is described for fabricating an electrolyte-electrode composite suitable for high energy alkali metal battery that includes mixing composite electrode materials with excess liquid, such as ethylene carbonate or propylene carbonate, to produce an initial formulation, and forming a shaped electrode therefrom. The excess liquid is then removed from the electrode to compact the electrode composite which can be further compacted by compression. The resulting electrode exhibits at least a 75% lower resistance.

Fabrication methods for low impedance lithium polymer electrodes

DOEpatents

Chern, Terry Song-Hsing; MacFadden, Kenneth Orville; Johnson, Steven Lloyd

1997-01-01

A process for fabricating an electrolyte-electrode composite suitable for high energy alkali metal battery that includes mixing composite electrode materials with excess liquid, such as ethylene carbonate or propylene carbonate, to produce an initial formulation, and forming a shaped electrode therefrom. The excess liquid is then removed from the electrode to compact the electrode composite which can be further compacted by compression. The resulting electrode exhibits at least a 75% lower resistance.

The General Formulation and Practical Calculation of the Diffusion Coefficient in a Lattice Containing Cavities; FORMULATION GENERALE ET CALCUL PRATIQUE DU COEFFICIENT DE DIFFUSION DANS UN RESEAU COMPORTANT DES CAVITES (in French)

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

Benoist, P.

The calculation of diffusion coefficients in a lattice necessitates the knowledge of a correct method of weighting the free paths of the different constituents. An unambiguous definition of this weighting method is given here, based on the calculation of leakages from a zone of a reactor. The formulation obtained, which is both simple and general, reduces the calculation of diffusion coefficients to that of collision probabilities in the different media; it reveals in the expression for the radial coefficient the series of the terms of angular correlation (cross terms) recently shown by several authors. This formulation is then used tomore » calculate the practical case of a classical type of lattice composed of a moderator and a fuel element surrounded by an empty space. Analytical and numerical comparison of the expressions obtained with those inferred from the theory of BEHRENS shows up the importance of several new terms some of which are linked with the transparency of the fuel element. Cross terms up to the second order are evaluated. A practical formulary is given at the end of the paper. (author) [French] Le calcul des coefficients de diffusion dans un reseau suppose la connaissance d'un mode de ponderation correct des libres parcours des differents constituants. On definit ici sans ambiguite ce mode de ponderation a partir du calcul des fuites hors d'une zone de reacteur. La formulation obtenue, simple et generale, ramene le calcul des coefficients de diffusion a celui des probabilites de collision dans les differents milieux; elle fait apparaitre dans l'expression du coefficient radial la serie des termes de correlation angulaire (termes rectangles), mis en evidence recemment par plusieurs auteurs. Cette formulation est ensuite appliquee au calcul pratique d'un reseau classique, compose d'un moderateur et d'un element combustible entoure d'une cavite; la comparaison analytique et numerique des expressions obtenues avec celles deduites de la theorie de BEHRENS fait apparaitre l'importance de plusieurs termes nouveaux, dont certains sont lies a la transparence de l'element combustible; les termes rectangles sont calcules jusqu'a l'ordre 2. Un formulaire pratique est donne a la fin de cette etude. (auteur)« less

Chem Ed Compacts.

ERIC Educational Resources Information Center

Wolf, Walter A., Ed.

1979-01-01

Students are learning too many facts, and not enough emphasis is being placed on observational skills. An activity is suggested for college students which shows how observations are made and problems formulated from them. (BB)

Design of a compact polarizing beam splitter based on a photonic crystal ring resonator with a triangular lattice.

PubMed

Yu, Tianbao; Huang, Jiehui; Liu, Nianhua; Yang, Jianyi; Liao, Qinghua; Jiang, Xiaoqing

2010-04-10

We propose and simulate a new kind of compact polarizing beam splitter (PBS) based on a photonic crystal ring resonator (PCRR) with complete photonic bandgaps. The two polarized states are separated far enough by resonant and nonresonant coupling between the waveguide modes and the microring modes. Some defect holes are utilized to control the beam propagation. The simulated results obtained by the finite-difference time-domain method show that high transmission (over 95%) is obtained and the polarization separation is realized with a length as short as 3.1 microm. The design of the proposed PBS can be flexible, thanks to the advantages of PCRRs.

Non-perturbative determination of cV, ZV and ZS/ZP in Nf = 3 lattice QCD

NASA Astrophysics Data System (ADS)

Heitger, Jochen; Joswig, Fabian; Vladikas, Anastassios; Wittemeier, Christian

2018-03-01

We report on non-perturbative computations of the improvement coefficient cV and the renormalization factor ZV of the vector current in three-flavour O(a) improved lattice QCD with Wilson quarks and tree-level Symanzik improved gauge action. To reduce finite quark mass effects, our improvement and normalization conditions exploit massive chiral Ward identities formulated in the Schrödinger functional setup, which also allow deriving a new method to extract the ratio ZS/ZP of scalar to pseudoscalar renormalization constants. We present preliminary results of a numerical evaluation of ZV and cV along a line of constant physics with gauge couplings corresponding to lattice spacings of about 0:09 fm and below, relevant for phenomenological applications.

Chiral extrapolations of the ρ ( 770 ) meson in N f = 2 + 1 lattice QCD simulations

DOE PAGES

Hu, B.; Molina, R.; Döring, M.; ...

2017-08-24

Recentmore » $$N_f=2+1$$ lattice data for meson-meson scattering in $p$-wave and isospin $I=1$ are analyzed using a unitarized model inspired by Chiral Perturbation Theory in the inverse-amplitude formulation for two and three flavors. We perform chiral extrapolations that postdict phase shifts extracted from experiment quite well. Additionally, the low-energy constants are compared to the ones from a recent analysis of $$N_f=2$$ lattice QCD simulations to check for the consistency of the hadronic model used here. Some inconsistencies are detected in the fits to $$N_f=2+1$$ data, in contrast to the previous analysis of $$N_f=2$$ data.« less

Fermion bag approach to Hamiltonian lattice field theories in continuous time

NASA Astrophysics Data System (ADS)

Huffman, Emilie; Chandrasekharan, Shailesh

2017-12-01

We extend the idea of fermion bags to Hamiltonian lattice field theories in the continuous time formulation. Using a class of models we argue that the temperature is a parameter that splits the fermion dynamics into small spatial regions that can be used to identify fermion bags. Using this idea we construct a continuous time quantum Monte Carlo algorithm and compute critical exponents in the 3 d Ising Gross-Neveu universality class using a single flavor of massless Hamiltonian staggered fermions. We find η =0.54 (6 ) and ν =0.88 (2 ) using lattices up to N =2304 sites. We argue that even sizes up to N =10 ,000 sites should be accessible with supercomputers available today.

Electron-lattice coupling after high-energy deposition in aluminum

NASA Astrophysics Data System (ADS)

Gorbunov, S. A.; Medvedev, N. A.; Terekhin, P. N.; Volkov, A. E.

2015-07-01

This paper presents an analysis of the parameters of highly-excited electron subsystem of aluminum, appearing e.g. after swift heavy ion impact or laser pulse irradiation. For elevated electron temperatures, the electron heat capacity and the screening parameter are evaluated. The electron-phonon approximation of electron-lattice coupling is compared with its precise formulation based on the dynamic structure factor (DSF) formalism. The DSF formalism takes into account collective response of a lattice to excitation including all possible limit cases of this response. In particular, it automatically provides realization of electron-phonon coupling as the low-temperature limit, while switching to the plasma-limit for high electron temperatures. Aluminum is chosen as a good model system for illustration of the presented methodology.

A computer program to generate equations of motion matrices, L217 (EOM). Volume 1: Engineering and usage

NASA Technical Reports Server (NTRS)

Kroll, R. I.; Clemmons, R. E.

1979-01-01

The equations of motion program L217 formulates the matrix coefficients for a set of second order linear differential equations that describe the motion of an airplane relative to its level equilibrium flight condition. Aerodynamic data from FLEXSTAB or Doublet Lattice (L216) programs can be used to derive the equations for quasi-steady or full unsteady aerodynamics. The data manipulation and the matrix coefficient formulation are described.

Antiferromagnetism and DX2-Y2-WAVE Pairing in the Colored Hubbard Model

NASA Astrophysics Data System (ADS)

Baier, Tobias; Bick, Eike

2001-08-01

We introduce a new formulation of the 2d Hubbard model on a square lattice (the "colored" Hubbard model). In this formulation interesting physical nonlocal properties as antiferromagnetic or dx2-y2-wave superconducting behavior are included in an explicit way. Analyzing the phase diagram in a mean field approximation numerically, we show that our approach yields results which are in qualitative agreement with experiment.

A New Equivalence Theory Method for Treating Doubly Heterogeneous Fuel - II. Verifications

DOE PAGES

Choi, Sooyoung; Kong, Chidong; Lee, Deokjung; ...

2015-03-09

A new methodology has been developed recently to treat resonance self-shielding in systems for which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. The theoretical development adopts equivalence theory in both micro- and macro-level heterogeneities to provide approximate analytical expressions for the shielded cross sections, which may be interpolated from a table of resonance integrals or Bondarenko factors using a modified background cross section as the interpolation parameter. This paper describes the first implementation of the theoretical equations in a reactor analysis code. In order to reduce discrepancies caused bymore » use of the rational approximation for collision probabilities in the original derivation, a new formulation for a doubly heterogeneous Bell factor is developed in this paper to improve the accuracy of doubly heterogeneous expressions. This methodology is applied to a wide range of pin cell and assembly test problems with varying geometry parameters, material compositions, and temperatures, and the results are compared with continuous-energy Monte Carlo simulations to establish the accuracy and range of applicability of the new approach. It is shown that the new doubly heterogeneous self-shielding method including the Bell factor correction gives good agreement with reference Monte Carlo results.« less

Domain wall fermion and CP symmetry breaking

NASA Astrophysics Data System (ADS)

Fujikawa, Kazuo; Suzuki, Hiroshi

2003-02-01

We examine the CP properties of chiral gauge theory defined by a formulation of the domain wall fermion, where the light field variables q and q¯ together with Pauli-Villars fields Q and Q¯ are utilized. It is shown that this domain wall representation in the infinite flavor limit N=∞ is valid only in the topologically trivial sector, and that the conflict among lattice chiral symmetry, strict locality and CP symmetry still persists for finite lattice spacing a. The CP transformation generally sends one representation of lattice chiral gauge theory into another representation of lattice chiral gauge theory, resulting in the inevitable change of propagators. A modified form of lattice CP transformation motivated by the domain wall fermion, which keeps the chiral action in terms of the Ginsparg-Wilson fermion invariant, is analyzed in detail; this provides an alternative way to understand the breaking of CP symmetry at least in the topologically trivial sector. We note that the conflict with CP symmetry could be regarded as a topological obstruction. We also discuss the issues related to the definition of Majorana fermions in connection with the supersymmetric Wess-Zumino model on the lattice.

Entanglement renormalization and gauge symmetry

NASA Astrophysics Data System (ADS)

Tagliacozzo, L.; Vidal, G.

2011-03-01

A lattice gauge theory is described by a redundantly large vector space that is subject to local constraints and can be regarded as the low-energy limit of an extended lattice model with a local symmetry. We propose a numerical coarse-graining scheme to produce low-energy, effective descriptions of lattice models with a local symmetry such that the local symmetry is exactly preserved during coarse-graining. Our approach results in a variational ansatz for the ground state(s) and low-energy excitations of such models and, by extension, of lattice gauge theories. This ansatz incorporates the local symmetry in its structure and exploits it to obtain a significant reduction of computational costs. We test the approach in the context of a Z2 lattice gauge theory formulated as the low-energy theory of a specific regime of the toric code with a magnetic field, for lattices with up to 16×16 sites (162×2=512 spins) on a torus. We reproduce the well-known ground-state phase diagram of the model, consisting of a deconfined and spin-polarized phases separated by a continuous quantum phase transition, and obtain accurate estimates of energy gaps, ground-state fidelities, Wilson loops, and several other quantities.

Enhancement of Loperamide Dissolution Rate by Liquisolid Compact Technique.

PubMed

Venkateswarlu, Kambham; Preethi, Jami Komala; Chandrasekhar, Kothapalli Bonnoth

2016-09-01

Purpose: The aim of present study was to improve the dissolution rate of poorly soluble drug Loperamide (LPM) by liquisolid compact technique. Methods: Liquisolid compacts of LPM were prepared using Propylene glycol (PG) as a solvent, Avicel pH 102 as carrier, Aerosil as coating material and Sodium Starch Glycolate (SSG) as superdisintegrant. Interactions between the drug and excipients were examined by Fourier Transform Infrared (FTIR) spectroscopy. The dissolution studies for LPM liquisolid formulation, marketed product and pure drug were carried out in pH 1.2 HCl buffer as dissolution media. Results: Results confirmed the absence of chemical interactions between the drug and excipients. From the solubility studies, it was observed the LPM was highly soluble in PG thereby it was selected as a solvent. The dissolution efficiency of LPM at 15 min was increased from 9.99 % for pure drug and 54.57% for marketed product to 86.81% for the tablets prepared by liquisolid compact technique. Stability studies showed no significant change in percent cumulative drug release, hardness, disintegration time, friability and drug content for 3 months. Conclusion: Formulation F2 showed significant increase in dissolution rate compared to the marketed product at pH 1.2 where LPM is largely absorbed. Around 90% of the drug was released from F2 in 30 min compared to the marketed product and it might be due to the increased wetting and surface area of the particles. Hence, the liquisolid compact technique appears to be a promising approach for improving the dissolution rate of poorly soluble drug.

Sustained-release liquisolid compact tablets containing artemether-lumefantrine as alternate-day regimen for malaria treatment to improve patient compliance.

PubMed

Nnamani, Petra Obioma; Ugwu, Agatha Adaora; Ibezim, Emmanuel Chinedu; Kenechukwu, Franklin Chimaobi; Akpa, Paul Achile; Ogbonna, John-Dike Nwabueze; Obitte, Nicholas Chinedu; Odo, Amelia Ngozi; Windbergs, Maike; Lehr, Claus-Michael; Attama, Anthony Amaechi

The present study aimed to develop low-dose liquisolid tablets of two antimalarial drugs artemether-lumefantrine (AL) from a nanostructured lipid carrier (NLC) of lumefantrine (LUM) and estimate the potential of AL as an oral delivery system in malariogenic Wistar mice. LUM-NLCs were prepared by hot homogenization using Precirol ® ATO 5/Transcutol ® HP and tallow fat/Transcutol ® HP optimized systems containing 3:1 ratios of the lipids, respectively, as the matrices. LUM-NLC characteristics, including morphology, particle size, zeta potential, encapsulation efficiency, yield, pH-dependent stability, and interaction studies, were investigated. Optimized LUM-NLCs were mixed with artemether powder and other dry ingredients and the resultant powder evaluated for micromeritics. Subsequent AL liquisolid tablets were tested for in vitro drug release and in vivo antiplasmodial activity in mice infected with Plasmodium berghei berghei (NK 65). Results showed that optimized LUM-NLC were stable, spherical, polydispersed but nanometric. Percentage yield and encapsulation efficiency were ~92% and 93% for Precirol ® ATO 5/Transcutol ® HP batch, then 81% and 95% for tallow fat/Transcutol ® HP batch while LUM was amorphous in NLC matrix. In vitro AL release from liquisolid compacts revealed initial burst release and subsequent sustained release. Liquisolid tablet compacts formulated with Precirol ® ATO 5/Transcutol ® HP-AL4 achieved higher LUM release in simulated intestinal fluid (84.32%) than tallow fat/Transcutol ® HP-BL3 (77.9%). Non-Fickian (anomalous) diffusion and super case II transport were the predominant mechanisms of drug release. Equal parasitemia reduction was observed for both batches of tablet compacts (~92%), superior to the reduction obtained with commercial antimalarial formulations: Coartem ® tablets (86%) and chloroquine phosphate tablets (66%). No significant difference ( P <0.05) in parasite reduction between double (4/24 mg/kg) and single (2/12 mg/kg) strength doses of AL compacts was observed. Our result highlights that AL could be formulated in much lower doses (4/24 mg/kg), for once-in-two days oral administration to improve patient compliance, which is currently not obtainable with conventional AL dosage forms.

Sustained-release liquisolid compact tablets containing artemether–lumefantrine as alternate-day regimen for malaria treatment to improve patient compliance

PubMed Central

Nnamani, Petra Obioma; Ugwu, Agatha Adaora; Ibezim, Emmanuel Chinedu; Kenechukwu, Franklin Chimaobi; Akpa, Paul Achile; Ogbonna, John-Dike Nwabueze; Obitte, Nicholas Chinedu; Odo, Amelia Ngozi; Windbergs, Maike; Lehr, Claus-Michael; Attama, Anthony Amaechi

2016-01-01

The present study aimed to develop low-dose liquisolid tablets of two antimalarial drugs artemether–lumefantrine (AL) from a nanostructured lipid carrier (NLC) of lumefantrine (LUM) and estimate the potential of AL as an oral delivery system in malariogenic Wistar mice. LUM-NLCs were prepared by hot homogenization using Precirol® ATO 5/Transcutol® HP and tallow fat/Transcutol® HP optimized systems containing 3:1 ratios of the lipids, respectively, as the matrices. LUM-NLC characteristics, including morphology, particle size, zeta potential, encapsulation efficiency, yield, pH-dependent stability, and interaction studies, were investigated. Optimized LUM-NLCs were mixed with artemether powder and other dry ingredients and the resultant powder evaluated for micromeritics. Subsequent AL liquisolid tablets were tested for in vitro drug release and in vivo antiplasmodial activity in mice infected with Plasmodium berghei berghei (NK 65). Results showed that optimized LUM-NLC were stable, spherical, polydispersed but nanometric. Percentage yield and encapsulation efficiency were ~92% and 93% for Precirol® ATO 5/Transcutol® HP batch, then 81% and 95% for tallow fat/Transcutol® HP batch while LUM was amorphous in NLC matrix. In vitro AL release from liquisolid compacts revealed initial burst release and subsequent sustained release. Liquisolid tablet compacts formulated with Precirol® ATO 5/Transcutol® HP-AL4 achieved higher LUM release in simulated intestinal fluid (84.32%) than tallow fat/Transcutol® HP-BL3 (77.9%). Non-Fickian (anomalous) diffusion and super case II transport were the predominant mechanisms of drug release. Equal parasitemia reduction was observed for both batches of tablet compacts (~92%), superior to the reduction obtained with commercial antimalarial formulations: Coartem® tablets (86%) and chloroquine phosphate tablets (66%). No significant difference (P<0.05) in parasite reduction between double (4/24 mg/kg) and single (2/12 mg/kg) strength doses of AL compacts was observed. Our result highlights that AL could be formulated in much lower doses (4/24 mg/kg), for once-in-two days oral administration to improve patient compliance, which is currently not obtainable with conventional AL dosage forms. PMID:27932882

Compression and compaction properties of plasticised high molecular weight hydroxypropylmethylcellulose (HPMC) as a hydrophilic matrix carrier.

PubMed

Hardy, I J; Cook, W G; Melia, C D

2006-03-27

The compression and compaction properties of plasticised high molecular weight USP2208 HPMC were investigated with the aim of improving tablet formation in HPMC matrices. Experiments were conducted on binary polymer-plasticiser mixtures containing 17 wt.% plasticiser, and on a model hydrophilic matrix formulation. A selection of common plasticisers, propylene glycol (PG) glycerol (GLY), dibutyl sebacate (DBS) and triacetin (TRI), were chosen to provide a range of plasticisation efficiencies. T(g) values of binary mixtures determined by Dynamic Mechanical Thermal Analysis (DMTA) were in rank order PG>GLY>DBS>TRI>unplasticised HPMC. Mean yield pressure, strain rate sensitivity (SRS) and plastic compaction energy were measured during the compression process, and matrix properties were monitored by tensile strength and axial expansion post-compression. Compression of HPMC:PG binary mixtures resulted in a marked reduction in mean yield pressure and a significant increase in SRS, suggesting a classical plasticisation of HPMC analogous to that produced by water. The effect of PG was also reflected in matrix properties. At compression pressures below 70 MPa, compacts had greater tensile strength than those from native polymer, and over the range 35 and 70 MPa, lower plastic compaction values showed that less energy was required to produce the compacts. Axial expansion was also reduced. Above 70 MPa tensile strength was limited to 3 MPa. These results suggest a useful improvement of HPMC compaction and matrix properties by PG plasticisation, with lowering of T(g) resulting in improved deformation and internal bonding. These effects were also detectable in the model formulation containing a minimal polymer content for an HPMC matrix. Other plasticisers were largely ineffective, matrix strength was poor and axial expansion high. The hydrophobic plasticisers (DBS, TRI) reduced yield pressure substantially, but were poor plasticisers and showed compaction mechanisms that could be attributed to phase separation. The effect of different plasticisers suggests that the deformation characteristics of this HPMC in the solid state is dominated by hydroxyl mediated bonding, rather than by hydrophobic interactions between methoxyl-rich regions.

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

NASA Astrophysics Data System (ADS)

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

2014-05-01

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

Capping of rare earth silicide nanowires on Si(001)

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

Appelfeller, Stephan; Franz, Martin; Kubicki, Milan

The capping of Tb and Dy silicide nanowires grown on Si(001) was studied using scanning tunneling microscopy and cross-sectional high-resolution transmission electron microscopy. Several nanometers thick amorphous Si films deposited at room temperature allow an even capping, while the nanowires maintain their original structural properties. Subsequent recrystallization by thermal annealing leads to more compact nanowire structures and to troughs in the Si layer above the nanowires, which may even reach down to the nanowires in the case of thin Si films, as well as to V-shaped stacking faults forming along (111) lattice planes. This behavior is related to strain duemore » to the lattice mismatch between the Si overlayer and the nanowires.« 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

Higher representations on the lattice: Numerical simulations, SU(2) with adjoint fermions

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

Del Debbio, Luigi; Patella, Agostino; Pica, Claudio

2010-05-01

We discuss the lattice formulation of gauge theories with fermions in arbitrary representations of the color group and present in detail the implementation of the hybrid Monte Carlo (HMC)/rational HMC algorithm for simulating dynamical fermions. We discuss the validation of the implementation through an extensive set of tests and the stability of simulations by monitoring the distribution of the lowest eigenvalue of the Wilson-Dirac operator. Working with two flavors of Wilson fermions in the adjoint representation, benchmark results for realistic lattice simulations are presented. Runs are performed on different lattice sizes ranging from 4{sup 3}x8 to 24{sup 3}x64 sites. Formore » the two smallest lattices we also report the measured values of benchmark mesonic observables. These results can be used as a baseline for rapid cross-checks of simulations in higher representations. The results presented here are the first steps toward more extensive investigations with controlled systematic errors, aiming at a detailed understanding of the phase structure of these theories, and of their viability as candidates for strong dynamics beyond the standard model.« less

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.

Random growth lattice filling model of percolation: a crossover from continuous to discontinuous transition

NASA Astrophysics Data System (ADS)

Roy, Bappaditya; Santra, S. B.

2018-05-01

A random growth lattice filling model of percolation with a touch and stop growth rule is developed and studied numerically on a two dimensional square lattice. Nucleation centers are continuously added one at a time to the empty lattice sites and clusters are grown from these nucleation centers with a growth probability g. For a given g (), the system passes through a critical point during the growth process where the transition from a disconnected to a connected phase occurs. The model is found to exhibit second order continuous percolation transitions as ordinary percolation for whereas for it exhibits weak first order discontinuous percolation transitions. The continuous transitions are characterized by estimating the values of the critical exponents associated with the order parameter fluctuation and the fractal dimension of the spanning cluster over the whole range of g. The discontinuous transitions, however, are characterized by a compact spanning cluster, lattice size independent fluctuation of the order parameter per lattice, departure from power law scaling in the cluster size distribution and weak bimodal distribution of the order parameter. The nature of transitions are further confirmed by studying the Binder cumulant. Instead of a sharp tricritical point, a tricritical region is found to occur for 0.5  <  g  <  0.8 within which the values of the critical exponents change continuously until the crossover from continuous to discontinuous transition is completed.

Bohman-Frieze-Wormald model on the lattice, yielding a discontinuous percolation transition

NASA Astrophysics Data System (ADS)

Schrenk, K. J.; Felder, A.; Deflorin, S.; Araújo, N. A. M.; D'Souza, R. M.; Herrmann, H. J.

2012-03-01

The BFW model introduced by Bohman, Frieze, and Wormald [Random Struct. Algorithms1042-983210.1002/rsa.20038, 25, 432 (2004)], and recently investigated in the framework of discontinuous percolation by Chen and D'Souza [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.106.115701 106, 115701 (2011)], is studied on the square and simple-cubic lattices. In two and three dimensions, we find numerical evidence for a strongly discontinuous transition. In two dimensions, the clusters at the threshold are compact with a fractal surface of fractal dimension df=1.49±0.02. On the simple-cubic lattice, distinct jumps in the size of the largest cluster are observed. We proceed to analyze the tree-like version of the model, where only merging bonds are sampled, for dimension two to seven. The transition is again discontinuous in any considered dimension. Finally, the dependence of the cluster-size distribution at the threshold on the spatial dimension is also investigated.

Design of 3 GeV booster ring lattice

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

Etisken, O., E-mail: ozgur.etisken@cern.ch; Ciftci, A. K., E-mail: abbas.kenan.ciftci@cern.ch

2016-03-25

The aim of this study is to design of a 3 GeV booster ring for the 3 GeV storage ring. Electrons are needed to be accelerated to 3.0 GeV from 0.15 GeV energy. In this frame, we studied on two options for booster ring; a compact booster and the booster that shares the same tunnel with the storage ring. The lattice type has been chosen FODO for both options, lattice parameters are calculated, sextupole magnets are used to decrease dynamic aperture problem and dynamic aperture calculations are also made with considering of the necessary conditions. After designing and calculating ofmore » the parameters, these designs have been compared with each other. In addition to this comparison, these booster design parameters have been compared with some world centers design parameters and the reliability of the booster design is seen. Beam optics, OPA and Elegant simulation programs have been used in the study calculations.« less

Insensitivity of compaction properties of brittle granules to size enlargement by roller compaction.

PubMed

Wu, Sy-Juen; Sun, Changquan 'Calvin'

2007-05-01

Pharmaceutical granules prepared by roller compaction often exhibit significant loss of tabletability, that is, reduction in tensile strength, when compared to virgin powder. This may be attributed to granule size enlargement for highly plastic materials, for example, microcrystalline cellulose. The sensitivity of powder compaction properties on granule size variations impacts the robustness of the dry granulation process. We hypothesize that such sensitivity of compaction properties on granule size is minimum for brittle materials because extensive fracture of brittle granules during compaction minimizes differences in initial granule size. We tested the hypothesis using three common brittle excipients. Results show that the fine (44-106 microm), medium (106-250 microm), and coarse (250-500 microm) granules exhibit essentially identical tabletability below a certain critical compaction pressure, 100, 140, and 100 MPa for spray-dried lactose monohydrate, anhydrous dibasic calcium phosphate, and mannitol, respectively. Above respective critical pressure, tabletability lines diverge with smaller granules exhibiting slightly higher tablet tensile strength at identical compaction conditions. Overall, tabletability of brittle granules is insensitive to granule size enlargement. The results provide a scientific basis to the common practice of incorporating brittle filler to a typical tablet formulation processed by roller compaction granulation. (c) 2007 Wiley-Liss, Inc. and the American Pharmacists Association.

Probing the dynamic response of ordered lattice materials

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Two-flavor simulations of ρ ( 770 ) and the role of the K K ¯ channel

DOE PAGES

Hu, B.; Molina, R.; Döring, M.; ...

2016-09-15

Here, the ρ(770) meson is the most extensively studied resonance in lattice QCD simulations in two (N f = 2) and three (N f = 2 + 1) flavor formulations. We analyze N f = 2 lattice scattering data using unitarized chiral perturbation theory, allowing not only for the extrapolation in mass but also in flavor, N f = 2 → N f = 2 + 1. The flavor extrapolation requires information from a global fit to ππ and πK phase shifts from experiment. While the chiral extrapolation of N f = 2 lattice data leads to masses of themore » ρ(770) meson far below the experimental one, we find that the missing KK¯ channel is able to explain this discrepancy.« less

A new approach to detecting gravitational waves via the coupling of gravity to the zero-point energy of the phonon modes of a superconductor

NASA Astrophysics Data System (ADS)

Inan, Nader A.

The response of a superconductor to a gravitational wave is shown to obey a London-like constituent equation. The Cooper pairs are described by the Ginzburg-Landau free energy density embedded in curved spacetime. The lattice ions are modeled by quantum harmonic oscillators characterized by quasi-energy eigenvalues. This formulation is shown to predict a dynamical Casimir effect since the zero-point energy of the ionic lattice phonons is modulated by the gravitational wave. It is also shown that the response to a gravitational wave is far less for the Cooper pair density than for the ionic lattice. This predicts a “charge separation effect” which can be used to detect the passage of a gravitational wave.

Compact scheme for systems of equations applied to fundamental problems of mechanics of continua

NASA Technical Reports Server (NTRS)

Klimkowski, Jerzy Z.

1990-01-01

Compact scheme formulation was used in the treatment of boundary conditions for a system of coupled diffusion and Poisson equations. Models and practical solutions of specific engineering problems arising in solid mechanics, chemical engineering, heat transfer and fuid mechanics are described and analyzed for efficiency and accuracy. Only 2-D cases are discussed and a new method of numerical treatment of boundary conditions common in the fundamental problems of mechanics of continua is presented.

Effect of punch tip geometry and embossment on the punch tip adherence of a model ibuprofen formulation.

PubMed

Roberts, Matthew; Ford, James L; MacLeod, Graeme S; Fell, John T; Smith, George W; Rowe, Philip H; Dyas, A Mark

2004-07-01

The sticking of a model ibuprofen-lactose formulation with respect to compaction force, punch tip geometry and punch tip embossment was assessed. Compaction was performed at 10, 25 or 40 kN using an instrumented single-punch tablet press. Three sets of 'normal' concave punches were used to evaluate the influence of punch curvature and diameter. The punches were 10, 11 and 12 mm in diameter, respectively. The 10-mm punch was embossed with a letter 'A' logo to assess the influence of an embossment on sticking. Flat-faced punches (12.5 mm) were used for comparison with the concave tooling. Surface profiles (Taylor Hobson Talysurf 120) of the upper punch faces were obtained to evaluate the surface quality of the tooling used. Following compaction, ibuprofen attached to the upper punch face was quantified by spectroscopy. Increasing punch curvature from flat-faced punches to concave decreased sticking. Altering punch diameter of the concave punches had no effect on sticking when expressed as microg mm(-2). The embossed letter 'A' logo increased sticking considerably owing to the probable concentration of shear stresses at the lateral faces of the embossed logo.

Transmission spectra changes produced by decreasing compactness of opal-like structures

NASA Astrophysics Data System (ADS)

Andueza, A.; Echeverría, R.; Morales, P.; Sevilla, J.

2009-01-01

Artificial opal-like structures based on spheres and colloidal particles have been fabricated in a controlled way, presenting optical band-gap properties in the optical frequency range. Nonclose packed artificial opals have also been fabricated and studied recently. In order to gain a better understanding of these phenomena, we have studied macroscopic models of nonclose packed fcc lattices using glass spheres (ɛ =7) of 8 mm diameter, and measuring in the microwave region (from 10 to 30 GHz). The results have shown a Bragg resonance tunable with filling factor of the opal, and a strong rejected band similar, also present in close packed samples, much less affected by compactness. The relation of this high order band with spheres single layer behavior is also discussed.

MHD Turbulence, div B = 0 and Lattice Boltzmann Simulations

NASA Astrophysics Data System (ADS)

Phillips, Nate; Keating, Brian; Vahala, George; Vahala, Linda

2006-10-01

The question of div B = 0 in MHD simulations is a crucial issue. Here we consider lattice Boltzmann simulations for MHD (LB-MHD). One introduces a scalar distribution function for the velocity field and a vector distribution function for the magnetic field. This asymmetry is due to the different symmetries in the tensors arising in the time evolution of these fields. The simple algorithm of streaming and local collisional relaxation is ideally parallelized and vectorized -- leading to the best sustained performance/PE of any code run on the Earth Simulator. By reformulating the BGK collision term, a simple implicit algorithm can be immediately transformed into an explicit algorithm that permits simulations at quite low viscosity and resistivity. However the div B is not an imposed constraint. Currently we are examining a new formulations of LB-MHD that impose the div B constraint -- either through an entropic like formulation or by introducing forcing terms into the momentum equations and permitting simpler forms of relaxation distributions.

Topology optimization of thermal fluid flows with an adjoint Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Dugast, Florian; Favennec, Yann; Josset, Christophe; Fan, Yilin; Luo, Lingai

2018-07-01

This paper presents an adjoint Lattice Boltzmann Method (LBM) coupled with the Level-Set Method (LSM) for topology optimization of thermal fluid flows. The adjoint-state formulation implies discrete velocity directions in order to take into account the LBM boundary conditions. These boundary conditions are introduced at the beginning of the adjoint-state method as the LBM residuals, so that the adjoint-state boundary conditions can appear directly during the adjoint-state equation formulation. The proposed method is tested with 3 numerical examples concerning thermal fluid flows, but with different objectives: minimization of the mean temperature in the domain, maximization of the heat evacuated by the fluid, and maximization of the heat exchange with heated solid parts. This latter example, treated in several articles, is used to validate our method. In these optimization problems, a limitation of the maximal pressure drop and of the porosity (number of fluid elements) is also applied. The obtained results demonstrate that the method is robust and effective for solving topology optimization of thermal fluid flows.

Processing of IN-718 Lattice Block Castings

NASA Technical Reports Server (NTRS)

Hebsur, Mohan G.

2002-01-01

Recently a low cost casting method known as lattice block casting has been developed by JAM Corporation, Wilmington, Massachusetts for engineering materials such as aluminum and stainless steels that has shown to provide very high stiffness and strength with only a fraction of density of the alloy. NASA Glenn Research Center has initiated research to investigate lattice block castings of high temperature Ni-base superalloys such as the model system Inconel-718 (IN-718) for lightweight nozzle applications. Although difficulties were encountered throughout the manufacturing process , a successful investment casting procedure was eventually developed. Wax formulation and pattern assembly, shell mold processing, and counter gravity casting techniques were developed. Ten IN-718 lattice block castings (each measuring 15-cm wide by 30-cm long by 1.2-cm thick) have been successfully produced by Hitchiner Gas Turbine Division, Milford, New Hampshire, using their patented counter gravity casting techniques. Details of the processing and resulting microstructures are discussed in this paper. Post casting processing and evaluation of system specific mechanical properties of these specimens are in progress.

N = 2* Yang-Mills on the Lattice

NASA Astrophysics Data System (ADS)

Joseph, Anosh

2018-03-01

The N = 2* Yang-Mills theory in four dimensions is a non-conformal theory that appears as a mass deformation of maximally supersymmetric N = 4 Yang-Mills theory. This theory also takes part in the AdS/CFT correspondence and its gravity dual is type IIB supergravity on the Pilch-Warner background. The finite temperature properties of this theory have been studied recently in the literature. It has been argued that at large N and strong coupling this theory exhibits no thermal phase transition at any nonzero temperature. The low temperature N = 2* plasma can be compared to the QCD plasma. We provide a lattice construction of N = 2* Yang-Mills on a hypercubic lattice starting from the N = 4 gauge theory. The lattice construction is local, gauge-invariant, free from fermion doubling problem and preserves a part of the supersymmetry. This nonperturbative formulation of the theory can be used to provide a highly nontrivial check of the AdS/CFT correspondence in a non-conformal theory.

A Deconstruction Lattice Description of the D1/D5 Brane World-Volume Gauge Theory

DOE PAGES

Giedt, Joel

2011-01-01

I genermore » alize the deconstruction lattice formulation of Endres and Kaplan to two-dimensional super-QCD with eight supercharges, denoted by (4,4), and bifundamental matter. I specialize to a particularly interesting (4,4) gauge theory, with gauge group U ( N c ) × U ( N f ) , and U ( N f ) being weakly gauged. It describes the infrared limit of the D1/D5 brane system, which has been studied extensively as an example of the AdS 3 /CFT 2 correspondence. The construction here preserves two supercharges exactly and has a lattice structure quite similar to that which has previously appeared in the deconstruction approach, that is, site, link, and diagonal fields with both the Bose and Fermi statistics. I remark on possible applications of the lattice theory that would test the AdS 3 /CFT 2 correspondence, particularly one that would exploit the recent worldsheet instanton analysis of Chen and Tong.« less

Periodic Toda lattice in quantum mechanics

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

Matsuyama, A.

The quantum mechanical periodic Toda lattice is studied by the direct diagonalization of the Hamiltonian. The eigenstates are classified according to the irreducible representations of the dihedral group D[sub N]. It is shown that Gutzwiller's quantization conditions are satisfied and they have a one-to-one correspondence to the irreducible representation of the D[sub N] group. The authors have also carried out the semiclassical quantization of the periodic Toda lattice by the EBK formulation. The eigenvalues of the semiclassical quantization have a one-to-one correspondence to the integer quantum numbers, and those quantum numbers also have a close relationship to the symmetry ofmore » the state. Numerical calculations have been done for N = 3, 4, 5, and 6 particle periodic Toda lattices. The distributions of the eigenvalues are systematic and distinguished by the symmetry of the state. As illustrative examples, amplitudes of the wave functions and density distributions are shown. 14 refs., 8 figs., 11 tabs.« less

Analytic representation of FK/Fπ in two loop chiral perturbation theory

NASA Astrophysics Data System (ADS)

Ananthanarayan, B.; Bijnens, Johan; Friot, Samuel; Ghosh, Shayan

2018-05-01

We present an analytic representation of FK/Fπ as calculated in three-flavor two-loop chiral perturbation theory, which involves expressing three mass scale sunsets in terms of Kampé de Fériet series. We demonstrate how approximations may be made to obtain relatively compact analytic representations. An illustrative set of fits using lattice data is also presented, which shows good agreement with existing fits.

A smart sensor architecture based on emergent computation in an array of outer-totalistic cells

NASA Astrophysics Data System (ADS)

Dogaru, Radu; Dogaru, Ioana; Glesner, Manfred

2005-06-01

A novel smart-sensor architecture is proposed, capable to segment and recognize characters in a monochrome image. It is capable to provide a list of ASCII codes representing the recognized characters from the monochrome visual field. It can operate as a blind's aid or for industrial applications. A bio-inspired cellular model with simple linear neurons was found the best to perform the nontrivial task of cropping isolated compact objects such as handwritten digits or characters. By attaching a simple outer-totalistic cell to each pixel sensor, emergent computation in the resulting cellular automata lattice provides a straightforward and compact solution to the otherwise computationally intensive problem of character segmentation. A simple and robust recognition algorithm is built in a compact sequential controller accessing the array of cells so that the integrated device can provide directly a list of codes of the recognized characters. Preliminary simulation tests indicate good performance and robustness to various distortions of the visual field.

Structural differences between yeast and mammalian microtubules revealed by cryo-EM

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

Howes, Stuart C.; Geyer, Elisabeth A.; LaFrance, Benjamin

Microtubules are polymers of αβ-tubulin heterodimers essential for all eukaryotes. Despite sequence conservation, there are significant structural differences between microtubules assembled in vitro from mammalian or budding yeast tubulin. Yeast MTs were not observed to undergo compaction at the interdimer interface as seen for mammalian microtubules upon GTP hydrolysis. Lack of compaction might reflect slower GTP hydrolysis or a different degree of allosteric coupling in the lattice. The microtubule plus end–tracking protein Bim1 binds yeast microtubules both between αβ-tubulin heterodimers, as seen for other organisms, and within tubulin dimers, but binds mammalian tubulin only at interdimer contacts. At the concentrationsmore » used in cryo-electron microscopy, Bim1 causes the compaction of yeast microtubules and induces their rapid disassembly. In conclusion, our studies demonstrate structural differences between yeast and mammalian microtubules that likely underlie their differing polymerization dynamics. These differences may reflect adaptations to the demands of different cell size or range of physiological growth temperatures.« less

Use of in-die powder densification parameters in the implementation of process analytical technologies for tablet production on industrial scale.

PubMed

Cespi, Marco; Perinelli, Diego R; Casettari, Luca; Bonacucina, Giulia; Caporicci, Giuseppe; Rendina, Filippo; Palmieri, Giovanni F

2014-12-30

The use of process analytical technologies (PAT) to ensure final product quality is by now a well established practice in pharmaceutical industry. To date, most of the efforts in this field have focused on development of analytical methods using spectroscopic techniques (i.e., NIR, Raman, etc.). This work evaluated the possibility of using the parameters derived from the processing of in-line raw compaction data (the forces and displacement of the punches) as a PAT tool for controlling the tableting process. To reach this goal, two commercially available formulations were used, changing the quantitative composition and compressing them on a fully instrumented rotary pressing machine. The Heckel yield pressure and the compaction energies, together with the tablets hardness and compaction pressure, were selected and evaluated as discriminating parameters in all the prepared formulations. The apparent yield pressure, as shown in the obtained results, has the necessary sensitivity to be effectively included in a PAT strategy to monitor the tableting process. Additional investigations were performed to understand the criticalities and the mechanisms beyond this performing parameter and the associated implications. Specifically, it was discovered that the efficiency of the apparent yield pressure depends on the nominal drug title, the drug densification mechanism and the error in pycnometric density. In this study, the potential of using some parameters derived from the compaction raw data has been demonstrated to be an attractive alternative and complementary method to the well established spectroscopic techniques to monitor and control the tableting process. The compaction data monitoring method is also easy to set up and very cost effective. Copyright © 2014 Elsevier B.V. All rights reserved.

Lattice mismatch induced ripples and wrinkles in planar graphene/boron nitride superlattices

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

Nandwana, Dinkar; Ertekin, Elif, E-mail: ertekin@illinois.edu; International Institute for Carbon Neutral Energy Research

A continuum theory to describe periodic ripple formation in planar graphene/boron nitride superlattices is formulated. Due to the lattice mismatch between the two materials, it is shown that flat superlattices are unstable with respect to ripple formation of appropriate wavelengths. A competition between bending energy and transverse stretching energy gives rise to an optimal ripple wavelength that depends on the superlattice pitch. The optimal wavelengths predicted by the continuum theory are in good agreement with atomic scale total energy calculations previously reported by Nandwana and Ertekin [Nano Lett. 15, 1468 (2015)].

Non-CMC Solutions of the Einstein Constraint Equations on Compact Manifolds with Apparent Horizon Boundaries

NASA Astrophysics Data System (ADS)

Holst, Michael; Meier, Caleb; Tsogtgerel, G.

2018-01-01

In this article we continue our effort to do a systematic development of the solution theory for conformal formulations of the Einstein constraint equations on compact manifolds with boundary. By building in a natural way on our recent work in Holst and Tsogtgerel (Class Quantum Gravity 30:205011, 2013), and Holst et al. (Phys Rev Lett 100(16):161101, 2008, Commun Math Phys 288(2):547-613, 2009), and also on the work of Maxwell (J Hyperbolic Differ Eqs 2(2):521-546, 2005a, Commun Math Phys 253(3):561-583, 2005b, Math Res Lett 16(4):627-645, 2009) and Dain (Class Quantum Gravity 21(2):555-573, 2004), under reasonable assumptions on the data we prove existence of both near- and far-from-constant mean curvature (CMC) solutions for a class of Robin boundary conditions commonly used in the literature for modeling black holes, with a third existence result for CMC appearing as a special case. Dain and Maxwell addressed initial data engineering for space-times that evolve to contain black holes, determining solutions to the conformal formulation on an asymptotically Euclidean manifold in the CMC setting, with interior boundary conditions representing excised interior black hole regions. Holst and Tsogtgerel compiled the interior boundary results covered by Dain and Maxwell, and then developed general interior conditions to model the apparent horizon boundary conditions of Dainand Maxwell for compact manifolds with boundary, and subsequently proved existence of solutions to the Lichnerowicz equation on compact manifolds with such boundary conditions. This paper picks up where Holst and Tsogtgerel left off, addressing the general non-CMC case for compact manifolds with boundary. As in our previous articles, our focus here is again on low regularity data and on the interaction between different types of boundary conditions. While our work here serves primarily to extend the solution theory for the compact with boundary case, we also develop several technical tools that have potential for use for other cases.

Original electric-vertex formulation of the symmetric eight-vertex model on the square lattice is fully nonuniversal

NASA Astrophysics Data System (ADS)

Krčmár, Roman; Šamaj, Ladislav

2018-01-01

The partition function of the symmetric (zero electric field) eight-vertex model on a square lattice can be formulated either in the original "electric" vertex format or in an equivalent "magnetic" Ising-spin format. In this paper, both electric and magnetic versions of the model are studied numerically by using the corner transfer matrix renormalization-group method which provides reliable data. The emphasis is put on the calculation of four specific critical exponents, related by two scaling relations, and of the central charge. The numerical method is first tested in the magnetic format, the obtained dependencies of critical exponents on the model's parameters agree with Baxter's exact solution, and weak universality is confirmed within the accuracy of the method due to the finite size of the system. In particular, the critical exponents η and δ are constant as required by weak universality. On the other hand, in the electric format, analytic formulas based on the scaling relations are derived for the critical exponents ηe and δe which agree with our numerical data. These exponents depend on the model's parameters which is evidence for the full nonuniversality of the symmetric eight-vertex model in the original electric formulation.

Lattice Boltzmann simulations of multiple-droplet interaction dynamics.

PubMed

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

2014-03-01

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

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

Stottmeister, Alexander, E-mail: alexander.stottmeister@gravity.fau.de; Thiemann, Thomas, E-mail: thomas.thiemann@gravity.fau.de

In this article, the second of three, we discuss and develop the basis of a Weyl quantisation for compact Lie groups aiming at loop quantum gravity-type models. This Weyl quantisation may serve as the main mathematical tool to implement the program of space adiabatic perturbation theory in such models. As we already argued in our first article, space adiabatic perturbation theory offers an ideal framework to overcome the obstacles that hinder the direct implementation of the conventional Born-Oppenheimer approach in the canonical formulation of loop quantum gravity. Additionally, we conjecture the existence of a new form of the Segal-Bargmann-Hall “coherentmore » state” transform for compact Lie groups G, which we prove for G = U(1){sup n} and support by numerical evidence for G = SU(2). The reason for conjoining this conjecture with the main topic of this article originates in the observation that the coherent state transform can be used as a basic building block of a coherent state quantisation (Berezin quantisation) for compact Lie groups G. But, as Weyl and Berezin quantisation for ℝ{sup 2d} are intimately related by heat kernel evolution, it is natural to ask whether a similar connection exists for compact Lie groups as well. Moreover, since the formulation of space adiabatic perturbation theory requires a (deformation) quantisation as minimal input, we analyse the question to what extent the coherent state quantisation, defined by the Segal-Bargmann-Hall transform, can serve as basis of the former.« less

Quantum Engineering of Dynamical Gauge Fields on Optical Lattices

DTIC Science & Technology

2016-07-08

exact blocking formulas from the TRG formulation of the transfer matrix. The second is a worm algorithm. The particle number distributions obtained...a fact that can be explained by an approximate particle- hole symmetry. We have also developed a computer code suite for simulating the Abelian

Chitin's Functionality as a Novel Disintegrant: Benchmarking Against Commonly Used Disintegrants in Different Physicochemical Environments.

PubMed

Chaheen, Mohammad; Soulairol, Ian; Bataille, Bernard; Yassine, Ahmad; Belamie, Emmanuel; Sharkawi, Tahmer

2017-07-01

Disintegrants are used as excipients to ensure rapid disintegration of pharmaceutical tablets and further ensure proper dissolution of the active pharmaceutical ingredient. This study investigates disintegration mechanisms of chitin and common disintegrants. Swelling assessment (swelling force and swelling ratio) in different media, and compaction behavior (pure or mixed with other excipients) tabletability, deformation (Heckel modeling), and compact disintegration times were investigated on the tested disintegrants (alginic acid calcium salt, crospovidone, sodium starch glycolate, croscarmellose sodium, and chitin). Results show that the physicochemical properties of the disintegration medium such as pH and ionic strength, as well as other formulation ingredients, affect the disintegrant functionalities. Heckel analysis using the mean yield pressure "Py" shows that alginic acid calcium salt is the most brittle among the studied disintegrants, while crospovidone has the most plastic deformation mechanism, followed by chitin. Chitin showed good tabletability and disintegration properties that were not influenced by the physicochemical formulation environment. Chitin is largely available and easily modifiable and thus a promising material that could be used as a multifunctional excipient in tablet formulation. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Gain modulation by graphene plasmons in aperiodic lattice lasers

NASA Astrophysics Data System (ADS)

Chakraborty, S.; Marshall, O. P.; Folland, T. G.; Kim, Y.-J.; Grigorenko, A. N.; Novoselov, K. S.

2016-01-01

Two-dimensional graphene plasmon-based technologies will enable the development of fast, compact, and inexpensive active photonic elements because, unlike plasmons in other materials, graphene plasmons can be tuned via the doping level. Such tuning is harnessed within terahertz quantum cascade lasers to reversibly alter their emission. This is achieved in two key steps: first, by exciting graphene plasmons within an aperiodic lattice laser and, second, by engineering photon lifetimes, linking graphene’s Fermi energy with the round-trip gain. Modal gain and hence laser spectra are highly sensitive to the doping of an integrated, electrically controllable, graphene layer. Demonstration of the integrated graphene plasmon laser principle lays the foundation for a new generation of active, programmable plasmonic metamaterials with major implications across photonics, material sciences, and nanotechnology.

SELECTIVE ADVANTAGE OF RECOMBINATION IN EVOLVING PROTEIN POPULATIONS: A LATTICE MODEL STUDY

PubMed Central

WILLIAMS, PAUL D.; POLLOCK, DAVID D.

2010-01-01

Recent research has attempted to clarify the contributions of several mutational processes, such as substitutions or homologous recombination. Simplistic, tractable protein models, which determine the compact native structure phenotype from the sequence genotype, are well-suited to such studies. In this paper, we use a lattice-protein model to examine the effects of point mutation and homologous recombination on evolving populations of proteins. We find that while the majority of mutation and recombination events are neutral or deleterious, recombination is far more likely to be beneficial. This results in a faster increase in fitness during evolution, although the final fitness level is not significantly changed. This transient advantage provides an evolutionary advantage to subpopulations that undergo recombination, allowing fixation of recombination to occur in the population. PMID:25473139

Selective Advantage of Recombination in Evolving Protein Populations:. a Lattice Model Study

NASA Astrophysics Data System (ADS)

Williams, Paul D.; Pollock, David D.; Goldstein, Richard A.

Recent research has attempted to clarify the contributions of several mutational processes, such as substitutions or homologous recombination. Simplistic, tractable protein models, which determine the compact native structure phenotype from the sequence genotype, are well-suited to such studies. In this paper, we use a lattice-protein model to examine the effects of point mutation and homologous recombination on evolving populations of proteins. We find that while the majority of mutation and recombination events are neutral or deleterious, recombination is far more likely to be beneficial. This results in a faster increase in fitness during evolution, although the final fitness level is not significantly changed. This transient advantage provides an evolutionary advantage to subpopulations that undergo recombination, allowing fixation of recombination to occur in the population.

Coherent states for quantum compact groups

NASA Astrophysics Data System (ADS)

Jurĉo, B.; Ŝťovíĉek, P.

1996-12-01

Coherent states are introduced and their properties are discussed for simple quantum compact groups A l, Bl, Cl and D l. The multiplicative form of the canonical element for the quantum double is used to introduce the holomorphic coordinates on a general quantum dressing orbit. The coherent state is interpreted as a holomorphic function on this orbit with values in the carrier Hilbert space of an irreducible representation of the corresponding quantized enveloping algebra. Using Gauss decomposition, the commutation relations for the holomorphic coordinates on the dressing orbit are derived explicitly and given in a compact R-matrix formulation (generalizing this way the q-deformed Grassmann and flag manifolds). The antiholomorphic realization of the irreducible representations of a compact quantum group (the analogue of the Borel-Weil construction) is described using the concept of coherent state. The relation between representation theory and non-commutative differential geometry is suggested.

Lattice QCD with two dynamical flavors of domain wall fermions

NASA Astrophysics Data System (ADS)

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

2005-12-01

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

A discussion on the origin of quantum probabilities

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

Holik, Federico, E-mail: olentiev2@gmail.com; Departamento de Matemática - Ciclo Básico Común, Universidad de Buenos Aires - Pabellón III, Ciudad Universitaria, Buenos Aires; Sáenz, Manuel

We study the origin of quantum probabilities as arising from non-Boolean propositional-operational structures. We apply the method developed by Cox to non distributive lattices and develop an alternative formulation of non-Kolmogorovian probability measures for quantum mechanics. By generalizing the method presented in previous works, we outline a general framework for the deduction of probabilities in general propositional structures represented by lattices (including the non-distributive case). -- Highlights: •Several recent works use a derivation similar to that of R.T. Cox to obtain quantum probabilities. •We apply Cox’s method to the lattice of subspaces of the Hilbert space. •We obtain a derivationmore » of quantum probabilities which includes mixed states. •The method presented in this work is susceptible to generalization. •It includes quantum mechanics and classical mechanics as particular cases.« less

Volumetric formulation for a class of kinetic models with energy conservation.

PubMed

Sbragaglia, M; Sugiyama, K

2010-10-01

We analyze a volumetric formulation of lattice Boltzmann for compressible thermal fluid flows. The velocity set is chosen with the desired accuracy, based on the Gauss-Hermite quadrature procedure, and tested against controlled problems in bounded and unbounded fluids. The method allows the simulation of thermohydrodyamical problems without the need to preserve the exact space-filling nature of the velocity set, but still ensuring the exact conservation laws for density, momentum, and energy. Issues related to boundary condition problems and improvements based on grid refinement are also investigated.

Study of. lambda. parameters and crossover phenomena in SU(N) x SU(N) sigma models in two dimensions

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

Shigemitsu, J; Kogut, J B

1981-01-01

The spin system analogues of recent studies of the string tension and ..lambda.. parameters of SU(N) gauge theories in 4 dimensions are carried out for the SU(N) x SU(N) and O(N) models in 2 dimensions. The relations between the ..lambda.. parameters of both the Euclidean and Hamiltonian formulation of the lattice models and the ..lambda.. parameter of the continuum models are obtained. The one loop finite renormalization of the speed of light in the lattice Hamiltonian formulations of the O(N) and SU(N) x SU(N) models is calculated. Strong coupling calculations of the mass gaps of these spin models are donemore » for all N and the constants of proportionality between the gap and the ..lambda.. parameter of the continuum models are obtained. These results are contrasted with similar calculations for the SU(N) gauge models in 3+1 dimensions. Identifying suitable coupling constants for discussing the N ..-->.. infinity limits, the numerical results suggest that the crossover from weak to strong coupling in the lattice O(N) models becomes less abrupt as N increases while the crossover for the SU(N) x SU(N) models becomes more abrupt. The crossover in SU(N) gauge theories also becomes more abrupt with increasing N, however, at an even greater rate than in the SU(N) x SU(N) spin models.« less

Lattice continuum and diffusional creep.

PubMed

Mesarovic, Sinisa Dj

2016-04-01

Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro-Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro-Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate.

Lattice continuum and diffusional creep

NASA Astrophysics Data System (ADS)

Mesarovic, Sinisa Dj.

2016-04-01

Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro-Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro-Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate.

Correlating Single Crystal Structure, Nanomechanical, and Bulk Compaction Behavior of Febuxostat Polymorphs.

PubMed

Yadav, Jayprakash A; Khomane, Kailas S; Modi, Sameer R; Ugale, Bharat; Yadav, Ram Naresh; Nagaraja, C M; Kumar, Navin; Bansal, Arvind K

2017-03-06

Febuxostat exhibits unprecedented solid forms with a total of 40 polymorphs and pseudopolymorphs reported. Polymorphs differ in molecular arrangement and conformation, intermolecular interactions, and various physicochemical properties, including mechanical properties. Febuxostat Form Q (FXT Q) and Form H1 (FXT H1) were investigated for crystal structure, nanomechanical parameters, and bulk deformation behavior. FXT Q showed greater compressibility, densification, and plastic deformation as compared to FXT H1 at a given compaction pressure. Lower mechanical hardness of FXT Q (0.214 GPa) as compared to FXT H1 (0.310 GPa) was found to be consistent with greater compressibility and lower mean yield pressure (38 MPa) of FXT Q. Superior compaction behavior of FXT Q was attributed to the presence of active slip systems in crystals which offered greater plastic deformation. By virtue of greater compressibility and densification, FXT Q showed higher tabletability over FXT H1. Significant correlation was found with anticipation that the preferred orientation of molecular planes into a crystal lattice translated nanomechanical parameters to a bulk compaction process. Moreover, prediction of compactibility of materials based on true density or molecular packing should be carefully evaluated, as slip-planes may cause deviation in the structure-property relationship. This study supported how molecular level crystal structure confers a bridge between particle level nanomechanical parameters and bulk level deformation behavior.

Source-to-accelerator quadrupole matching section for a compact linear accelerator

NASA Astrophysics Data System (ADS)

Seidl, P. A.; Persaud, A.; Ghiorso, W.; Ji, Q.; Waldron, W. L.; Lal, A.; Vinayakumar, K. B.; Schenkel, T.

2018-05-01

Recently, we presented a new approach for a compact radio-frequency (RF) accelerator structure and demonstrated the functionality of the individual components: acceleration units and focusing elements. In this paper, we combine these units to form a working accelerator structure: a matching section between the ion source extraction grids and the RF-acceleration unit and electrostatic focusing quadrupoles between successive acceleration units. The matching section consists of six electrostatic quadrupoles (ESQs) fabricated using 3D-printing techniques. The matching section enables us to capture more beam current and to match the beam envelope to conditions for stable transport in an acceleration lattice. We present data from an integrated accelerator consisting of the source, matching section, and an ESQ doublet sandwiched between two RF-acceleration units.

Closed compact Taylor's droplets in a phase-separated lamellar-sponge mixture under shear flow

NASA Astrophysics Data System (ADS)

Courbin, L.; Cristobal, G.; Rouch, J.; Panizza, P.

2001-09-01

We have studied by optical microscopy, small-angle light scattering, and rheology, the behavior under shear flow of a phase-separated lamellar-sponge (Lα - L3) ternary mixture. We observe in the Lα-rich region (ΦLα > 80%) the existence of a Newtonian assembly made of closed compact monodisperse lamellar droplets immersed in the sponge phase. Contrary to the classical onion glassy texture obtained upon shearing Lα phases, the droplet size scales herein as dot gamma-1, the inverse of the shear rate. This result is in good agreement with Taylor's picture. Above a critical shear rate, dot gammac, the droplets organize to form a single colloidal crystal whose lattice size varies as dot gamma-1/3. To the memory of Tess Melissa P.

Compact localized states and flat-band generators in one dimension

NASA Astrophysics Data System (ADS)

Maimaiti, Wulayimu; Andreanov, Alexei; Park, Hee Chul; Gendelman, Oleg; Flach, Sergej

2017-03-01

Flat bands (FB) are strictly dispersionless bands in the Bloch spectrum of a periodic lattice Hamiltonian, recently observed in a variety of photonic and dissipative condensate networks. FB Hamiltonians are fine-tuned networks, still lacking a comprehensive generating principle. We introduce a FB generator based on local network properties. We classify FB networks through the properties of compact localized states (CLS) which are exact FB eigenstates and occupy U unit cells. We obtain the complete two-parameter FB family of two-band d =1 networks with nearest unit cell interaction and U =2 . We discover a novel high symmetry sawtooth chain with identical hoppings in a transverse dc field, easily accessible in experiments. Our results pave the way towards a complete description of FBs in networks with more bands and in higher dimensions.

Compact structure and non-Gaussian dynamics of ring polymer melts.

PubMed

Brás, Ana R; Goossen, Sebastian; Krutyeva, Margarita; Radulescu, Aurel; Farago, Bela; Allgaier, Jürgen; Pyckhout-Hintzen, Wim; Wischnewski, Andreas; Richter, Dieter

2014-05-28

We present a neutron scattering analysis of the structure and dynamics of PEO polymer rings with a molecular weight 2.5 times higher than the entanglement mass. The melt structure was found to be more compact than a Gaussian model would suggest. With increasing time the center of mass (c.o.m.) diffusion undergoes a transition from sub-diffusive to diffusive behavior. The transition time agrees well with the decorrelation time predicted by a mode coupling approach. As a novel feature well pronounced non-Gaussian behavior of the c.o.m. diffusion was found that shows surprising analogies to the cage effect known from glassy systems. Finally, the longest wavelength Rouse modes are suppressed possibly as a consequence of an onset of lattice animal features as hypothesized in theoretical approaches.

A numerical study of the 2- and 3-dimensional unsteady Navier-Stokes equations in velocity-vorticity variables using compact difference schemes

NASA Technical Reports Server (NTRS)

Gatski, T. B.; Grosch, C. E.

1984-01-01

A compact finite-difference approximation to the unsteady Navier-Stokes equations in velocity-vorticity variables is used to numerically simulate a number of flows. These include two-dimensional laminar flow of a vortex evolving over a flat plate with an embedded cavity, the unsteady flow over an elliptic cylinder, and aspects of the transient dynamics of the flow over a rearward facing step. The methodology required to extend the two-dimensional formulation to three-dimensions is presented.

Computational unsteady aerodynamics for lifting surfaces

NASA Technical Reports Server (NTRS)

Edwards, John W.

1988-01-01

Two dimensional problems are solved using numerical techniques. Navier-Stokes equations are studied both in the vorticity-stream function formulation which appears to be the optimal choice for two dimensional problems, using a storage approach, and in the velocity pressure formulation which minimizes the number of unknowns in three dimensional problems. Analysis shows that compact centered conservative second order schemes for the vorticity equation are the most robust for high Reynolds number flows. Serious difficulties remain in the choice of turbulent models, to keep reasonable CPU efficiency.

Optimization of coupled systems: A critical overview of approaches

NASA Technical Reports Server (NTRS)

Balling, R. J.; Sobieszczanski-Sobieski, J.

1994-01-01

A unified overview is given of problem formulation approaches for the optimization of multidisciplinary coupled systems. The overview includes six fundamental approaches upon which a large number of variations may be made. Consistent approach names and a compact approach notation are given. The approaches are formulated to apply to general nonhierarchic systems. The approaches are compared both from a computational viewpoint and a managerial viewpoint. Opportunities for parallelism of both computation and manpower resources are discussed. Recommendations regarding the need for future research are advanced.

Design of dual ring wavelength filters for WDM applications

NASA Astrophysics Data System (ADS)

Sathyadevaki, R.; Shanmuga sundar, D.; Sivanantha Raja, A.

2016-12-01

Wavelength division multiplexing plays a prime role in an optical communication due to its advantages such as easy network expansion, longer span lengths etc. In this work, photonic crystal based filters with the dual rings are proposed which act as band pass filters (BPF) and channel drop filter (CDF) that has found a massive applications in C and L-bands used for wavelength selection and noise filtering at erbium doped fiber amplifiers and dense wavelength division multiplexing operation. These filters are formulated on the square lattice with crystal rods of silicon material of refractive index 3.4 which are perforated on an air of refractive index 1. Dual ring double filters (band pass filter and channel drop filter) on single layout possess passing and dropping band of wavelengths in two distinct arrangements with entire band quality factors of 92.09523 & 505.263 and 124.85019 & 456.8633 for the pass and drop filters of initial setup and amended setup respectively. These filters have the high-quality factor with broad and narrow bandwidths of 16.8 nm & 3.04 nm and 12.85 nm & 3.3927 nm. Transmission spectra and band gap of the desired filters is analyzed using Optiwave software suite. Two dual ring filters incorporated on a single layout comprises the size of 15×11 μm which can also be used in the integrated photonic chips for the ultra-compact unification of devices.

Selected physical and chemical properties of Feverfew (Tanacetum parthenium) extracts important for formulated product quality and performance.

PubMed

Jin, Ping; Madieh, Shadi; Augsburger, Larry L

2008-01-01

The objectives of this research are: (1) to assess selected formulation-relevant physical properties of several commercial Feverfew extracts, including flowability, hygroscopicity, compressibility and compactibility (2) to develop and validate a suitable extraction method and HPLC assay, and (3) to determine the parthenolide content of several commercial Feverfew extracts. Carr's index, minimum orifice diameter and particle-particle interaction were used to evaluate powder flowability. Hygroscopicity was evaluated by determining the equilibrium moisture content (EMC) after storage at various % relative humidities. Heckle analysis and compression pressure-radial tensile strength relationship were used to represent compression and compaction properties of feverfew extracts. An adapted analytical method was developed based on literature methods and then validated for the determination of parthenolide in feverfew. The commercial extracts tested exhibited poor to very poor flowability. The comparatively low mean yield pressure suggested that feverfew extracts deformed mainly plastically. Hygroscopicity and compactibility varied greatly with source. No commercial feverfew extracts tested contained the label claimed parthenolide. Even different batches from the same manufacturer showed significantly different parthenolide content. Therefore, extract manufactures should commit to proper quality control procedures that ensure accurate label claims, and supplement manufacturers should take into account possible differences in physico-chemical properties when using extracts from multiple suppliers.

Self-dual phase space for (3 +1 )-dimensional lattice Yang-Mills theory

NASA Astrophysics Data System (ADS)

Riello, Aldo

2018-01-01

I propose a self-dual deformation of the classical phase space of lattice Yang-Mills theory, in which both the electric and magnetic fluxes take value in the compact gauge Lie group. A local construction of the deformed phase space requires the machinery of "quasi-Hamiltonian spaces" by Alekseev et al., which is reviewed here. The results is a full-fledged finite-dimensional and gauge-invariant phase space, the self-duality properties of which are largely enhanced in (3 +1 ) spacetime dimensions. This enhancement is due to a correspondence with the moduli space of an auxiliary noncommutative flat connection living on a Riemann surface defined from the lattice itself, which in turn equips the duality between electric and magnetic fluxes with a neat geometrical interpretation in terms of a Heegaard splitting of the space manifold. Finally, I discuss the consequences of the proposed deformation on the quantization of the phase space, its quantum gravitational interpretation, as well as its relevance for the construction of (3 +1 )-dimensional topological field theories with defects.

Improper ferroelectric polarization in a perovskite driven by intersite charge transfer and ordering

NASA Astrophysics Data System (ADS)

Chen, Wei-Tin; Wang, Chin-Wei; Wu, Hung-Cheng; Chou, Fang-Cheng; Yang, Hung-Duen; Simonov, Arkadiy; Senn, M. S.

2018-04-01

It is of great interest to design and make materials in which ferroelectric polarization is coupled to other order parameters such as lattice, magnetic, and electronic instabilities. Such materials will be invaluable in next-generation data storage devices. Recently, remarkable progress has been made in understanding improper ferroelectric coupling mechanisms that arise from lattice and magnetic instabilities. However, although theoretically predicted, a compact lattice coupling between electronic and ferroelectric (polar) instabilities has yet to be realized. Here we report detailed crystallographic studies of a perovskite HgAMn3A'Mn4BO12 that is found to exhibit a polar ground state on account of such couplings that arise from charge and orbital ordering on both the A'- and B-sites, which are themselves driven by a highly unusual MnA '-MnB intersite charge transfer. The inherent coupling of polar, charge, orbital, and hence magnetic degrees of freedom make this a system of great fundamental interest, and demonstrating ferroelectric switching in this and a host of recently reported hybrid improper ferroelectrics remains a substantial challenge.

On the die compaction of powders used in pharmaceutics.

PubMed

Aryanpour, Gholamreza; Farzaneh, Masoud

2018-07-01

Die compaction is widely used in the compaction of pharmaceutical powders (tableting). It is well known that the powder densification is a result of particle rearrangement and particle deformation. The former is considered to be the governing mechanism of densification in an initial stage of compaction and the latter is regarded as the governing mechanism in the compaction at the higher pressure range. As a more realistic assumption, one can consider that a simultaneous performance of both the rearrangement and deformation mechanisms takes place from the beginning of compaction. To mathematically formulate this assumption, a piston equation is presented where the material relative density is given as a function of the applied pressure on the powder. From the equation, it is possible to obtain the contribution of each mechanism to the material densification at each value of the applied pressure. In the continuation, the piston equation is applied to the tabletting of some pharmaceutical powders. These are the powders of Ascorbic Acid, Avicel ® PH 101, Avicel ® PH 301, Emcompress ® , Sodium Chloride, and Tablettose ® whose tableting results have been previously published in the literature. The results show the piston equation as a suitable approach to describe the tabletting of pharmaceutical powders.

One-loop perturbative coupling of A and A? through the chiral overlap operator

NASA Astrophysics Data System (ADS)

Makino, Hiroki; Morikawa, Okuto; Suzuki, Hiroshi

2018-03-01

Recently, Grabowska and Kaplan constructed a four-dimensional lattice formulation of chiral gauge theories on the basis of the chiral overlap operator. At least in the tree-level approximation, the left-handed fermion is coupled only to the original gauge field A, while the right-handed one is coupled only to the gauge field A*, a deformation of A by the gradient flow with infinite flow time. In this paper, we study the fermion one-loop effective action in their formulation. We show that the continuum limit of this effective action contains local interaction terms between A and A*, even if the anomaly cancellation condition is met. These non-vanishing terms would lead an undesired perturbative spectrum in the formulation.

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

Hu, B.; Molina, R.; Döring, M.

Recentmore » $$N_f=2+1$$ lattice data for meson-meson scattering in $p$-wave and isospin $I=1$ are analyzed using a unitarized model inspired by Chiral Perturbation Theory in the inverse-amplitude formulation for two and three flavors. We perform chiral extrapolations that postdict phase shifts extracted from experiment quite well. Additionally, the low-energy constants are compared to the ones from a recent analysis of $$N_f=2$$ lattice QCD simulations to check for the consistency of the hadronic model used here. Some inconsistencies are detected in the fits to $$N_f=2+1$$ data, in contrast to the previous analysis of $$N_f=2$$ data.« less

S-matrix analysis of the baryon electric charge correlation

NASA Astrophysics Data System (ADS)

Lo, Pok Man; Friman, Bengt; Redlich, Krzysztof; Sasaki, Chihiro

2018-03-01

We compute the correlation of the net baryon number with the electric charge (χBQ) for an interacting hadron gas using the S-matrix formulation of statistical mechanics. The observable χBQ is particularly sensitive to the details of the pion-nucleon interaction, which are consistently incorporated in the current scheme via the empirical scattering phase shifts. Comparing to the recent lattice QCD studies in the (2 + 1)-flavor system, we find that the natural implementation of interactions and the proper treatment of resonances in the S-matrix approach lead to an improved description of the lattice data over that obtained in the hadron resonance gas model.

Space charge induced resonance excitation in high intensity rings

NASA Astrophysics Data System (ADS)

Cousineau, S.; Lee, S. Y.; Holmes, J. A.; Danilov, V.; Fedotov, A.

2003-03-01

We present a particle core model study of the space charge effect on high intensity synchrotron beams, with specific emphasis on the Proton Storage Ring (PSR) at Los Alamos National Laboratory. Our particle core model formulation includes realistic lattice focusing and dispersion. We transport both matched and mismatched beams through real lattice structure and compare the results with those of an equivalent uniform-focusing approximation. The effects of lattice structure and finite momentum spread on the resonance behavior are specifically targeted. Stroboscopic maps of the mismatched envelope are constructed and show high-order resonances and stochastic effects that dominate at high mismatch or high intensity. We observe the evolution of the envelope phase-space structure during a high intensity PSR beam accumulation. Finally, we examine the envelope-particle parametric resonance condition and discuss the possibility for halo growth in synchrotron beams due to this mechanism.

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

Bogacz, Alex

Baseline design of the JLEIC booster synchrotron is presented. Its aim is to inject and accumulate heavy ions and protons at 285 MeV, to accelerate them to about 7 GeV, and finally to extract the beam into the ion collider ring. The Figure-8 ring features two 2600 achromatic arcs configured with negative momentum compaction optics, designed to avoid transition crossing for all ion species during the course of acceleration. The lattice also features a specialized high dispersion injection insert optimized to facilitate the transverse phase-space painting in both planes for multi-turn ion injection. Furthermore, the lattice has been optimized tomore » ease chromaticity correction with two families of sextupoles in each plane. The booster ring is configured with super-ferric, 3 Tesla bends. We are presently launching optimization of the booster synchrotron design to operate in the extreme space-charge dominated regime.« less

Applied optics. Gain modulation by graphene plasmons in aperiodic lattice lasers.

PubMed

Chakraborty, S; Marshall, O P; Folland, T G; Kim, Y-J; Grigorenko, A N; Novoselov, K S

2016-01-15

Two-dimensional graphene plasmon-based technologies will enable the development of fast, compact, and inexpensive active photonic elements because, unlike plasmons in other materials, graphene plasmons can be tuned via the doping level. Such tuning is harnessed within terahertz quantum cascade lasers to reversibly alter their emission. This is achieved in two key steps: first, by exciting graphene plasmons within an aperiodic lattice laser and, second, by engineering photon lifetimes, linking graphene's Fermi energy with the round-trip gain. Modal gain and hence laser spectra are highly sensitive to the doping of an integrated, electrically controllable, graphene layer. Demonstration of the integrated graphene plasmon laser principle lays the foundation for a new generation of active, programmable plasmonic metamaterials with major implications across photonics, material sciences, and nanotechnology. Copyright © 2016, American Association for the Advancement of Science.

Testing holography using lattice super-Yang-Mills theory on a 2-torus

NASA Astrophysics Data System (ADS)

Catterall, Simon; Jha, Raghav G.; Schaich, David; Wiseman, Toby

2018-04-01

We consider maximally supersymmetric SU (N ) Yang-Mills theory in Euclidean signature compactified on a flat two-dimensional torus with antiperiodic ("thermal") fermion boundary conditions imposed on one cycle. At large N , holography predicts that this theory describes certain black hole solutions in type IIA and IIB supergravity, and we use lattice gauge theory to test this. Unlike the one-dimensional quantum mechanics case where there is only the dimensionless temperature to vary, here we emphasize there are two more parameters which determine the shape of the flat torus. While a rectangular Euclidean torus yields a thermal interpretation, allowing for skewed tori modifies the holographic dual black hole predictions and results in another direction to test holography. Our lattice calculations are based on a supersymmetric formulation naturally adapted to a particular skewing. Using this we perform simulations up to N =16 with several lattice spacings for both skewed and rectangular tori. We observe the two expected black hole phases with their predicted behavior, with a transition between them that is consistent with the gravity prediction based on the Gregory-Laflamme transition.

Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

NASA Astrophysics Data System (ADS)

Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

2015-03-01

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

Application of mixture experimental design in the formulation and optimization of matrix tablets containing carbomer and hydroxy-propylmethylcellulose.

PubMed

Petrovic, Aleksandra; Cvetkovic, Nebojsa; Ibric, Svetlana; Trajkovic, Svetlana; Djuric, Zorica; Popadic, Dragica; Popovic, Radmila

2009-12-01

Using mixture experimental design, the effect of carbomer (Carbopol((R)) 971P NF) and hydroxypropylmethylcellulose (Methocel((R)) K100M or Methocel((R)) K4M) combination on the release profile and on the mechanism of drug liberation from matrix tablet was investigated. The numerical optimization procedure was also applied to establish and obtain formulation with desired drug release. The amount of TP released, release rate and mechanism varied with carbomer ratio in total matrix and HPMC viscosity. Increasing carbomer fractions led to a decrease in drug release. Anomalous diffusion was found in all matrices containing carbomer, while Case - II transport was predominant for tablet based on HPMC only. The predicted and obtained profiles for optimized formulations showed similarity. Those results indicate that Simplex Lattice Mixture experimental design and numerical optimization procedure can be applied during development to obtain sustained release matrix formulation with desired release profile.

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

A compressibility based model for predicting the tensile strength of directly compressed pharmaceutical powder mixtures.

PubMed

Reynolds, Gavin K; Campbell, Jacqueline I; Roberts, Ron J

2017-10-05

A new model to predict the compressibility and compactability of mixtures of pharmaceutical powders has been developed. The key aspect of the model is consideration of the volumetric occupancy of each powder under an applied compaction pressure and the respective contribution it then makes to the mixture properties. The compressibility and compactability of three pharmaceutical powders: microcrystalline cellulose, mannitol and anhydrous dicalcium phosphate have been characterised. Binary and ternary mixtures of these excipients have been tested and used to demonstrate the predictive capability of the model. Furthermore, the model is shown to be uniquely able to capture a broad range of mixture behaviours, including neutral, negative and positive deviations, illustrating its utility for formulation design. Copyright © 2017 Elsevier B.V. All rights reserved.

Stability of anisotropic self-gravitating fluids

NASA Astrophysics Data System (ADS)

Ahmad, S.; Jami, A. Rehman; Mughal, M. Z.

2018-06-01

The aim of this paper is to study the stability as well as the existence of self-gravitating anisotropic fluids in Λ-dominated era. Taking a cylindrically symmetric and static spacetime, we computed the corresponding equations of motion in the background of anisotropic fluid distributions. The realistic formulation of energy momentum tensor as well as theoretical model of the scale factors are considered in order to describe some physical properties of the anisotropic fluids. To find the stability of the compact star, we have used Herrera’s technique which is based on finding the radial and the transverse components of the speed of sound. Moreover, the behaviors of other physical quantities are also discussed like anisotropy, matching conditions of interior metric and exterior metric and compactness of the compact structures are also discussed.

Nonlinear sigma models with compact hyperbolic target spaces

NASA Astrophysics Data System (ADS)

Gubser, Steven; Saleem, Zain H.; Schoenholz, Samuel S.; Stoica, Bogdan; Stokes, James

2016-06-01

We explore the phase structure of nonlinear sigma models with target spaces corresponding to compact quotients of hyperbolic space, focusing on the case of a hyperbolic genus-2 Riemann surface. The continuum theory of these models can be approximated by a lattice spin system which we simulate using Monte Carlo methods. The target space possesses interesting geometric and topological properties which are reflected in novel features of the sigma model. In particular, we observe a topological phase transition at a critical temperature, above which vortices proliferate, reminiscent of the Kosterlitz-Thouless phase transition in the O(2) model [1, 2]. Unlike in the O(2) case, there are many different types of vortices, suggesting a possible analogy to the Hagedorn treatment of statistical mechanics of a proliferating number of hadron species. Below the critical temperature the spins cluster around six special points in the target space known as Weierstrass points. The diversity of compact hyperbolic manifolds suggests that our model is only the simplest example of a broad class of statistical mechanical models whose main features can be understood essentially in geometric terms.

Nonlinear sigma models with compact hyperbolic target spaces

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

Gubser, Steven; Saleem, Zain H.; Schoenholz, Samuel S.

We explore the phase structure of nonlinear sigma models with target spaces corresponding to compact quotients of hyperbolic space, focusing on the case of a hyperbolic genus-2 Riemann surface. The continuum theory of these models can be approximated by a lattice spin system which we simulate using Monte Carlo methods. The target space possesses interesting geometric and topological properties which are reflected in novel features of the sigma model. In particular, we observe a topological phase transition at a critical temperature, above which vortices proliferate, reminiscent of the Kosterlitz-Thouless phase transition in the O(2) model [1, 2]. Unlike in themore » O(2) case, there are many different types of vortices, suggesting a possible analogy to the Hagedorn treatment of statistical mechanics of a proliferating number of hadron species. Below the critical temperature the spins cluster around six special points in the target space known as Weierstrass points. In conclusion, the diversity of compact hyperbolic manifolds suggests that our model is only the simplest example of a broad class of statistical mechanical models whose main features can be understood essentially in geometric terms.« less

Nonlinear sigma models with compact hyperbolic target spaces

DOE PAGES

Gubser, Steven; Saleem, Zain H.; Schoenholz, Samuel S.; ...

2016-06-23

We explore the phase structure of nonlinear sigma models with target spaces corresponding to compact quotients of hyperbolic space, focusing on the case of a hyperbolic genus-2 Riemann surface. The continuum theory of these models can be approximated by a lattice spin system which we simulate using Monte Carlo methods. The target space possesses interesting geometric and topological properties which are reflected in novel features of the sigma model. In particular, we observe a topological phase transition at a critical temperature, above which vortices proliferate, reminiscent of the Kosterlitz-Thouless phase transition in the O(2) model [1, 2]. Unlike in themore » O(2) case, there are many different types of vortices, suggesting a possible analogy to the Hagedorn treatment of statistical mechanics of a proliferating number of hadron species. Below the critical temperature the spins cluster around six special points in the target space known as Weierstrass points. In conclusion, the diversity of compact hyperbolic manifolds suggests that our model is only the simplest example of a broad class of statistical mechanical models whose main features can be understood essentially in geometric terms.« less

Renormalization of Supersymmetric QCD on the Lattice

NASA Astrophysics Data System (ADS)

Costa, Marios; Panagopoulos, Haralambos

2018-03-01

We perform a pilot study of the perturbative renormalization of a Supersymmetric gauge theory with matter fields on the lattice. As a specific example, we consider Supersymmetric N=1 QCD (SQCD). We study the self-energies of all particles which appear in this theory, as well as the renormalization of the coupling constant. To this end we compute, perturbatively to one-loop, the relevant two-point and three-point Green's functions using both dimensional and lattice regularizations. Our lattice formulation involves theWilson discretization for the gluino and quark fields; for gluons we employ the Wilson gauge action; for scalar fields (squarks) we use naive discretization. The gauge group that we consider is SU(Nc), while the number of colors, Nc, the number of flavors, Nf, and the gauge parameter, α, are left unspecified. We obtain analytic expressions for the renormalization factors of the coupling constant (Zg) and of the quark (ZΨ), gluon (Zu), gluino (Zλ), squark (ZA±), and ghost (Zc) fields on the lattice. We also compute the critical values of the gluino, quark and squark masses. Finally, we address the mixing which occurs among squark degrees of freedom beyond tree level: we calculate the corresponding mixing matrix which is necessary in order to disentangle the components of the squark field via an additional finite renormalization.

Lattice continuum and diffusional creep

PubMed Central

2016-01-01

Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro–Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro–Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate. PMID:27274696

Supersymmetric QCD on the lattice: An exploratory study

NASA Astrophysics Data System (ADS)

Costa, M.; Panagopoulos, H.

2017-08-01

We perform a pilot study of the perturbative renormalization of a supersymmetric gauge theory with matter fields on the lattice. As a specific example, we consider supersymmetric N =1 QCD (SQCD). We study the self-energies of all particles which appear in this theory, as well as the renormalization of the coupling constant. To this end we compute, perturbatively to one-loop, the relevant two-point and three-point Green's functions using both dimensional and lattice regularizations. Our lattice formulation involves the Wilson discretization for the gluino and quark fields; for gluons we employ the Wilson gauge action; for scalar fields (squarks) we use naïve discretization. The gauge group that we consider is S U (Nc), while the number of colors, Nc, the number of flavors, Nf, and the gauge parameter, α , are left unspecified. We obtain analytic expressions for the renormalization factors of the coupling constant (Zg) and of the quark (Zψ), gluon (Zu), gluino (Zλ), squark (ZA ±), and ghost (Zc) fields on the lattice. We also compute the critical values of the gluino, quark and squark masses. Finally, we address the mixing which occurs among squark degrees of freedom beyond tree level: we calculate the corresponding mixing matrix which is necessary in order to disentangle the components of the squark field via an additional finite renormalization.

Hadron mass and decays constant predictions of the valence approximation to lattice QCD

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

Weingarten, D.

1993-05-01

A key goal of the lattice formulation of QCD is to reproduce the masses and decay constants of the low-lying baryons and mesons. Lattice QCD mass and decay constant predictions for the real world are supposed to be obtained from masses and decay constants calculated with finite lattice spacing and finite lattice volume by taking the limits of zero spacing and infinite volume. In addition, since the algorithms used for hadron mass and decay constant calculations become progressively slower for small quark masses, results are presently found with quark masses much larger than the expected values of the up andmore » down quark masses. Predictions for the properties of hadrons containing up and down quarks then require a further extrapolation to small quark masses. The author reports here mass and decay constant predictions combining all three extrapolations for Wilson quarks in the valence (quenched) approximation. This approximation may be viewed as replacing the momentum and frequency dependent color dielectric constant arising from quark-antiquark vacuum polarization with its zero-momentum, zero-frequency limit. These calculations used approximately one year of machine time on the GF11 parallel computer running at a sustained rate of between 5 and 7 Gflops.« less

Spatially homogeneous rotating world models.

NASA Technical Reports Server (NTRS)

Ozsvath, I.

1971-01-01

The mathematical problem encountered when looking for the simplest expanding and rotating model of the universe without the compactness condition for the space sections is formulated. The Lagrangian function is derived for four different rotating universes simultaneously. These models correspond in a certain sense to Godel's (1950) ?symmetric case.'

Numerical simulation of mechanical compaction of deepwater shallow sediments

NASA Astrophysics Data System (ADS)

Sun, Jin; Wu, Shiguo; Deng, Jingen; Lin, Hai; Zhang, Hanyu; Wang, Jiliang; Gao, Jinwei

2018-02-01

To study the compaction law and overpressure evolution in deepwater shallow sediments, a large-strain compaction model that considers material nonlinearity and moving boundary is formulated. The model considers the dependence of permeability and material properties on void ratio. The modified Cam-Clay model is selected as the constitutive relations of the sediments, and the deactivation/reactivation method is used to capture the moving top surface during the deposition process. A one-dimensional model is used to study the compaction law of the shallow sediments. Results show that the settlement of the shallow sediments is large under their own weight during compaction. The void ratio decreases strictly with burial depth and decreases more quickly near the seafloor than in the deeper layers. The generation of abnormal pressure in the shallow flow sands is closely related to the compaction law of shallow sediments. The two main factors that affect the generation of overpressure in the sands are deposition rate and permeability of overlying clay sediments. Overpressure increases with an increase in deposition rate and a decrease in the permeability of the overlying clay sediment. Moreover, an upper limit for the overpressure exists. A two-dimensional model is used to study the differential compaction of the shallow sediments. The pore pressure will still increase due to the inflow of the pore fluid from the neighboring clay sediment even though the deposition process is interrupted.

Electromagnetic effects on the light hadron spectrum

DOE PAGES

Basak, S.; Bazavov, A.; Bernard, C.; ...

2015-09-28

Calculations studying electromagnetic effects on light mesons are reported. The calculations use fully dynamical QCD, but only quenched photons, which suffices to NLO in χPT; that is, the sea quarks are electrically neutral, while the valence quarks carry charge. The non-compact formalism is used for photons. New results are obtained with lattice spacing as small as 0.045 fm and a large range of volumes. The success of chiral perturbation theory in describing these results and the implications for light quark masses are considered.

Bioavailability and biological activity of liquisolid compact formula of repaglinide and its effect on glucose tolerance in rabbits.

PubMed

El-Houssieny, Boushra M; Wahman, Lobna F; Arafa, Nadia M S

2010-02-01

This study is an extension of the previous enhancement of dissolution properties of repaglinide using liquisolid compacts. The development and validation of a highperformance liquid chromatography (HPLC) assay for the determination of repaglinide concentration in rabbit plasma for pharmacokinetic studies is described. Repaglinide optimizing formula was orally administered to rabbits and blood samples were used to determine the pharmacokinetic parameters of repaglinide, which were compared to pharmacokinetic parameters of marketed tablets (Novonorm 2 mg). Also, to investigate the biological activity of this new formula, in comparison with the commercial product, oral glucose tolerance tests (OGTT), area under the curve and insulin levels were studied. Moreover, we studied the efficacy and safety of this new formula in several potencies (0.5, 1, and 2 mg) and blood glucose, insulin, kidney and liver functions. The relative bioavailability of repaglinide from its liquisolid compact formula was found to be increased significantly in comparison to that of the marketed tablet. In regard to urea and creatinine, no significant change was recorded after the administration of the commercial and the three potencies of the new formulation compared with the control group. Similarly, in liver function tests (serum glutamic pyruvic transaminase, SGPT), there were no changes observed in its level. Regarding insulin levels, the commercial formula increased insulin levels insignificantly (3.52% change) while the new formula increased the insulin level significantly with a percent change of 37.6%. The results of the glucose tolerance test showed that the blood glucose level was decreased significantly after the commercial drug (percent change, 18.1%) while in groups treated with the new formulation the decrease was highly significant (p < 0.01) with a percent change of 29.98%. The change in area under the curve for blood glucose was significantly higher in the commercial drug plus glucose load than in the new formulation plus glucose load group (p < 0.05) in the periods of 30-45 min and 45-60 min. Furthermore, the new repaglinide formulation significantly decreased blood glucose levels more than the commercial formula.

Analytical slave-spin mean-field approach to orbital selective Mott insulators

NASA Astrophysics Data System (ADS)

Komijani, Yashar; Kotliar, Gabriel

2017-09-01

We use the slave-spin mean-field approach to study particle-hole symmetric one- and two-band Hubbard models in the presence of Hund's coupling interaction. By analytical analysis of the Hamiltonian, we show that the locking of the two orbitals vs orbital selective Mott transition can be formulated within a Landau-Ginzburg framework. By applying the slave-spin mean field to impurity problems, we are able to make a correspondence between impurity and lattice. We also consider the stability of the orbital selective Mott phase to the hybridization between the orbitals and study the limitations of the slave-spin method for treating interorbital tunnelings in the case of multiorbital Bethe lattices with particle-hole symmetry.

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.

An experimental investigation of temperature rise during compaction of pharmaceutical powders.

PubMed

Krok, Alexander; Mirtic, Andreja; Reynolds, Gavin K; Schiano, Serena; Roberts, Ron; Wu, Chuan-Yu

2016-11-20

During pharmaceutical powder compaction, temperature rise in the compressed powder can affect physiochemical properties of the powder, such as thermal degradation and change in crystallinity. Thus, it is of practical importance to understand the effect of process conditions and material properties on the thermal response of pharmaceutical formulations during compaction. The aim of this study was to examine the temperature rise of pharmaceutical powders during tableting, in particular, to explore how the temperature rise depends on material properties, compression speed and tablet shape. Three grades of microcrystalline cellulose (MCC) were considered: MCC Avicel pH 101, MCC Avicel pH 102 and MCC DG. These powders were compressed using a compaction simulator at various compaction speeds (10-500mm/s). Flat faced, shallow convex and normal convex tablets were produced and temperature distributions on the surface of theses tablets upon ejection were examined using an infrared thermoviewer. It was found that an increase in the compaction speed led to an increase in the average surface temperature. A higher surface temperature was induced when the powder was compressed into a tablet with larger surface curvature. This was primarily due to the increasing degree of powder deformation (i.e. the volume reduction) and the effect of interparticule/wall friction. Copyright © 2016 Elsevier B.V. All rights reserved.

[Optimization and characterization of curcumin-piperine dual drug loaded self-microemulsifying drug delivery system by simplex lattice design].

PubMed

Li, Qiu-Ping; Dai, Jun-Dong; Zhai, Wen-Wen; Jiang, Qiao-Li

2014-10-01

The objective of the study was to prepare and evaluate the quality of curcumin-piperinedual drug loaded self-microemulsifying drug delivery system(Cur-PIP-SMEDDS). Simplex lattice design was constructed using optimal oil phase, surfactant and co-surfactant concentration as independent variables, and the curcumin and piperine were used as model drugs to optimize Cur-PIP-SMEDDS formulation. In the present study, the drug loadings of curcumin and piperine, mean particle size of Cur-PIP-SMEDDS were made as indicators, and the experiment design, model building and response surface analysis were established using Design Expert 8. 06 software to optimize and verify the composition of SMEDDS formulation. The quality of Cur-PIP-SMEDDS was evaluated by observing the appearance status, transmission electron microscope micrographs and determining particle diameter, electric potential, drug entrapment efficiency and drug loading of it. As a result, the optimal formulation of SMEDDS was CapryoL 90-Cremophor RH40-TranscutoL HP (10:60:30). The appearance of Cur-PIP-SMEDDS remained clarified and transparent, and the microemulsion droplets appeared spherical without aggregation with uniform particle size distribution. The mean size of microemulsion droplet formed from Cur-PIP-SMEDDS was 15.33 nm, the drug loading of SMEDDS for Cur and PIP were 40.90 mg · g(-1) and 0.97 mg · g(-1), respectively, the drug entrapment efficiency were 94.98% and 90.96%, respectively. The results show that Cur-PIP-SMEDDS can increase the solubility and stability of curcumin significantly, in the expectation of enhancing the bioavailability of it. Taken together, these findings can provide the reference to a preferable choice of the Cur formulation and contribute to therapeutic application in clinical research.

Fast and non-destructive pore structure analysis using terahertz time-domain spectroscopy.

PubMed

Markl, Daniel; Bawuah, Prince; Ridgway, Cathy; van den Ban, Sander; Goodwin, Daniel J; Ketolainen, Jarkko; Gane, Patrick; Peiponen, Kai-Erik; Zeitler, J Axel

2018-02-15

Pharmaceutical tablets are typically manufactured by the uni-axial compaction of powder that is confined radially by a rigid die. The directional nature of the compaction process yields not only anisotropic mechanical properties (e.g. tensile strength) but also directional properties of the pore structure in the porous compact. This study derives a new quantitative parameter, S a , to describe the anisotropy in pore structure of pharmaceutical tablets based on terahertz time-domain spectroscopy measurements. The S a parameter analysis was applied to three different data sets including tablets with only one excipient (functionalised calcium carbonate), samples with one excipient (microcrystalline cellulose) and one drug (indomethacin), and a complex formulation (granulated product comprising several excipients and one drug). The overall porosity, tablet thickness, initial particle size distribution as well as the granule density were all found to affect the significant structural anisotropies that were observed in all investigated tablets. The S a parameter provides new insights into the microstructure of a tablet and its potential was particularly demonstrated for the analysis of formulations comprising several components. The results clearly indicate that material attributes, such as particle size and granule density, cause a change of the pore structure, which, therefore, directly impacts the liquid imbibition that is part of the disintegration process. We show, for the first time, how the granule density impacts the pore structure, which will also affect the performance of the tablet. It is thus of great importance to gain a better understanding of the relationship of the physical properties of material attributes (e.g. intragranular porosity, particle shape), the compaction process and the microstructure of the finished product. Copyright © 2017 Elsevier B.V. All rights reserved.

Statistical mechanics of high-density bond percolation

NASA Astrophysics Data System (ADS)

Timonin, P. N.

2018-05-01

High-density (HD) percolation describes the percolation of specific κ -clusters, which are the compact sets of sites each connected to κ nearest filled sites at least. It takes place in the classical patterns of independently distributed sites or bonds in which the ordinary percolation transition also exists. Hence, the study of series of κ -type HD percolations amounts to the description of classical clusters' structure for which κ -clusters constitute κ -cores nested one into another. Such data are needed for description of a number of physical, biological, and information properties of complex systems on random lattices, graphs, and networks. They range from magnetic properties of semiconductor alloys to anomalies in supercooled water and clustering in biological and social networks. Here we present the statistical mechanics approach to study HD bond percolation on an arbitrary graph. It is shown that the generating function for κ -clusters' size distribution can be obtained from the partition function of the specific q -state Potts-Ising model in the q →1 limit. Using this approach we find exact κ -clusters' size distributions for the Bethe lattice and Erdos-Renyi graph. The application of the method to Euclidean lattices is also discussed.

Tetraquark operators in lattice QCD and exotic flavour states in the charm sector

DOE PAGES

Cheung, Gavin K. C.; Thomas, Christopher E.; Dudek, Jozef J.; ...

2017-11-08

We present a general class of operators resembling compact tetraquarks which have a range of colour-flavour-spin structures, transform irreducibly under the symmetries of the lattice and respect other relevant symmetries. These constructions are demonstrated in lattice QCD calculations with light quarks corresponding to m π = 391 MeV. Using the distillation framework, correlation functions involving large bases of meson-meson and tetraquark operators are computed in the isospin-1 hidden-charm and doubly-charmed sectors, and finite-volume spectra are extracted with the variational method. We find the spectra are insensitive to the addition of tetraquark operators to the bases of meson-meson operators. For themore » first time, through using diverse bases of meson-meson operators, the multiple energy levels associated with meson-meson levels which would be degenerate in the non-interacting limit are extracted reliably. The number of energy levels in each spectrum is found to be equal to the number of expected non-interacting meson-meson levels in the energy region considered and the majority of energies lie close to the non-interacting levels. Furthermore, there is no strong indication for any bound state or narrow resonance in the channels we study.« less

Tetraquark operators in lattice QCD and exotic flavour states in the charm sector

NASA Astrophysics Data System (ADS)

Cheung, Gavin K. C.; Thomas, Christopher E.; Dudek, Jozef J.; Edwards, Robert G.

2017-11-01

We present a general class of operators resembling compact tetraquarks which have a range of colour-flavour-spin structures, transform irreducibly under the symmetries of the lattice and respect other relevant symmetries. These constructions are demonstrated in lattice QCD calculations with light quarks corresponding to m π = 391 MeV. Using the distillation framework, correlation functions involving large bases of meson-meson and tetraquark operators are computed in the isospin-1 hidden-charm and doubly-charmed sectors, and finite-volume spectra are extracted with the variational method. We find the spectra are insensitive to the addition of tetraquark operators to the bases of meson-meson operators. For the first time, through using diverse bases of meson-meson operators, the multiple energy levels associated with meson-meson levels which would be degenerate in the non-interacting limit are extracted reliably. The number of energy levels in each spectrum is found to be equal to the number of expected non-interacting meson-meson levels in the energy region considered and the majority of energies lie close to the non-interacting levels. Therefore, there is no strong indication for any bound state or narrow resonance in the channels we study.

Toward a nanoscience emulator with two dimensional atomic gases

NASA Astrophysics Data System (ADS)

Wang, Ping; Ma, Q.; Dutta, S.; Chen, Yong P.

2009-05-01

We report our experimental progress in constructing a cold atom apparatus for emulating phenomena in nanoscience using low dimensional atom gases. Our first experiments will be performed with a 2D ^87Rb Bose-Einstein condensate created in an optical lattice. Our compact vacuum system consists of two AR-coated glass cells --- a low vacuum magneto-optical trap (MOT) chamber and a high vacuum ``science chamber'', connected by a 15cm-long tube for differential pumping. We have used elliptically shaped cooling laser beams and magnet field coils to realize an elongated MOT in the first chamber, and transferred the atoms to a second MOT in the science chamber by a push laser beam. In the science chamber, a 50W, 1550nm single frequency erbium fiber laser is used to produce an optical dipole trap and optical lattice.In addition, controllable disorder can be introduced with laser speckle and inter-atomic interactions can be tuned by atomic density or Feshbach resonance. We plan to explore important phenomena in nanoscience, such as 2D disorder-induced conductor-insulator transition, quantum Hall effect and graphene-like physics in such a tunable 2D atomic gas in optical lattices.

Quantum logic using correlated one-dimensional quantum walks

NASA Astrophysics Data System (ADS)

Lahini, Yoav; Steinbrecher, Gregory R.; Bookatz, Adam D.; Englund, Dirk

2018-01-01

Quantum Walks are unitary processes describing the evolution of an initially localized wavefunction on a lattice potential. The complexity of the dynamics increases significantly when several indistinguishable quantum walkers propagate on the same lattice simultaneously, as these develop non-trivial spatial correlations that depend on the particle's quantum statistics, mutual interactions, initial positions, and the lattice potential. We show that even in the simplest case of a quantum walk on a one dimensional graph, these correlations can be shaped to yield a complete set of compact quantum logic operations. We provide detailed recipes for implementing quantum logic on one-dimensional quantum walks in two general cases. For non-interacting bosons—such as photons in waveguide lattices—we find high-fidelity probabilistic quantum gates that could be integrated into linear optics quantum computation schemes. For interacting quantum-walkers on a one-dimensional lattice—a situation that has recently been demonstrated using ultra-cold atoms—we find deterministic logic operations that are universal for quantum information processing. The suggested implementation requires minimal resources and a level of control that is within reach using recently demonstrated techniques. Further work is required to address error-correction.

Compact continuum brain model for human electroencephalogram

NASA Astrophysics Data System (ADS)

Kim, J. W.; Shin, H.-B.; Robinson, P. A.

2007-12-01

A low-dimensional, compact brain model has recently been developed based on physiologically based mean-field continuum formulation of electric activity of the brain. The essential feature of the new compact model is a second order time-delayed differential equation that has physiologically plausible terms, such as rapid corticocortical feedback and delayed feedback via extracortical pathways. Due to its compact form, the model facilitates insight into complex brain dynamics via standard linear and nonlinear techniques. The model successfully reproduces many features of previous models and experiments. For example, experimentally observed typical rhythms of electroencephalogram (EEG) signals are reproduced in a physiologically plausible parameter region. In the nonlinear regime, onsets of seizures, which often develop into limit cycles, are illustrated by modulating model parameters. It is also shown that a hysteresis can occur when the system has multiple attractors. As a further illustration of this approach, power spectra of the model are fitted to those of sleep EEGs of two subjects (one with apnea, the other with narcolepsy). The model parameters obtained from the fittings show good matches with previous literature. Our results suggest that the compact model can provide a theoretical basis for analyzing complex EEG signals.

Microscopic theory for coupled atomistic magnetization and lattice dynamics

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

A New Runge-Kutta Discontinuous Galerkin Method with Conservation Constraint to Improve CFL Condition for Solving Conservation Laws

PubMed Central

Xu, Zhiliang; Chen, Xu-Yan; Liu, Yingjie

2014-01-01

We present a new formulation of the Runge-Kutta discontinuous Galerkin (RKDG) method [9, 8, 7, 6] for solving conservation Laws with increased CFL numbers. The new formulation requires the computed RKDG solution in a cell to satisfy additional conservation constraint in adjacent cells and does not increase the complexity or change the compactness of the RKDG method. Numerical computations for solving one-dimensional and two-dimensional scalar and systems of nonlinear hyperbolic conservation laws are performed with approximate solutions represented by piecewise quadratic and cubic polynomials, respectively. The hierarchical reconstruction [17, 33] is applied as a limiter to eliminate spurious oscillations in discontinuous solutions. From both numerical experiments and the analytic estimate of the CFL number of the newly formulated method, we find that: 1) this new formulation improves the CFL number over the original RKDG formulation by at least three times or more and thus reduces the overall computational cost; and 2) the new formulation essentially does not compromise the resolution of the numerical solutions of shock wave problems compared with ones computed by the RKDG method. PMID:25414520

Exact supersymmetry on the lattice

NASA Astrophysics Data System (ADS)

Ghadab, Sofiane

We describe a new approach of putting supersymmetric theories on the lattice. The basic idea is to discretize a twisted formulation of the (extended) supersymmetric theory. One can think about the twisting as an exotic change of variables that modifies the quantum numbers of the original fields. It exposes a scalar nilpotent supercharge which one can be preserved exactly on the lattice. We give explicit examples from sigma models and Yang-Mills theories. For the former, we show how to deform the theory by the addition of potential terms which preserve the supersymmmetry and play the role of Wilson terms, thus preventing the appearance of doublers. For the Yang-Mills theories however, one can show that their twisted versions can be rewritten in terms of two real Kahler-Dirac fields whose components transform into each other under the twisted supersymmetry. Once written in this geometrical language, one can ensure that the model does not exhibit spectrum doubling if one maps the component tensor fields to appropriate geometrical structures in the lattice. Numerical study of the O(3) sigma models and U(2) and SU(2) Yang-Mills theories for the case N = D = 2 indicates that no additional fine tuning is needed to recover the continuum supersymmetric models.

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

NASA Astrophysics Data System (ADS)

Cielecka, Iwona; Jędrysiak, Jarosław

2006-09-01

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

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.

Crystalline metamaterials for topological properties at subwavelength scales

PubMed Central

Yves, Simon; Fleury, Romain; Berthelot, Thomas; Fink, Mathias; Lemoult, Fabrice; Lerosey, Geoffroy

2017-01-01

The exciting discovery of topological condensed matter systems has lately triggered a search for their photonic analogues, motivated by the possibility of robust backscattering-immune light transport. However, topological photonic phases have so far only been observed in photonic crystals and waveguide arrays, which are inherently physically wavelength scaled, hindering their application in compact subwavelength systems. In this letter, we tackle this problem by patterning the deep subwavelength resonant elements of metamaterials onto specific lattices, and create crystalline metamaterials that can develop complex nonlocal properties due to multiple scattering, despite their very subwavelength spatial scale that usually implies to disregard their structure. These spatially dispersive systems can support subwavelength topological phases, as we demonstrate at microwaves by direct field mapping. Our approach gives a straightforward tabletop platform for the study of photonic topological phases, and allows to envision applications benefiting the compactness of metamaterials and the amazing potential of topological insulators. PMID:28719573

Crystalline metamaterials for topological properties at subwavelength scales

NASA Astrophysics Data System (ADS)

Yves, Simon; Fleury, Romain; Berthelot, Thomas; Fink, Mathias; Lemoult, Fabrice; Lerosey, Geoffroy

2017-07-01

The exciting discovery of topological condensed matter systems has lately triggered a search for their photonic analogues, motivated by the possibility of robust backscattering-immune light transport. However, topological photonic phases have so far only been observed in photonic crystals and waveguide arrays, which are inherently physically wavelength scaled, hindering their application in compact subwavelength systems. In this letter, we tackle this problem by patterning the deep subwavelength resonant elements of metamaterials onto specific lattices, and create crystalline metamaterials that can develop complex nonlocal properties due to multiple scattering, despite their very subwavelength spatial scale that usually implies to disregard their structure. These spatially dispersive systems can support subwavelength topological phases, as we demonstrate at microwaves by direct field mapping. Our approach gives a straightforward tabletop platform for the study of photonic topological phases, and allows to envision applications benefiting the compactness of metamaterials and the amazing potential of topological insulators.

The expansion of neighborhood and pattern formation on spatial prisoner's dilemma

NASA Astrophysics Data System (ADS)

Qian, Xiaolan; Xu, Fangqian; Yang, Junzhong; Kurths, Jürgen

2015-04-01

The prisoner's dilemma (PD), in which players can either cooperate or defect, is considered a paradigm for studying the evolution of cooperation in spatially structured populations. There the compact cooperator cluster is identified as a characteristic pattern and the probability of forming such pattern in turn depends on the features of the networks. In this paper, we investigate the influence of expansion of neighborhood on pattern formation by taking a weak PD game with one free parameter T, the temptation to defect. Two different expansion methods of neighborhood are considered. One is based on a square lattice and expanses along four directions generating networks with degree increasing with K = 4 m . The other is based on a lattice with Moore neighborhood and expanses along eight directions, generating networks with degree of K = 8 m . Individuals are placed on the nodes of the networks, interact with their neighbors and learn from the better one. We find that cooperator can survive for a broad degree 4 ≤ K ≤ 70 by taking a loose type of cooperator clusters. The former simple corresponding relationship between macroscopic patterns and the microscopic PD interactions is broken. Under a condition that is unfavorable for cooperators such as large T and K, systems prefer to evolve to a loose type of cooperator clusters to support cooperation. However, compared to the well-known compact pattern, it is a suboptimal strategy because it cannot help cooperators dominating the population and always corresponding to a low cooperation level.

Character expansion methods for matrix models of dually weighted graphs

NASA Astrophysics Data System (ADS)

Kazakov, Vladimir A.; Staudacher, Matthias; Wynter, Thomas

1996-04-01

We consider generalized one-matrix models in which external fields allow control over the coordination numbers on both the original and dual lattices. We rederive in a simple fashion a character expansion formula for these models originally due to Itzykson and Di Francesco, and then demonstrate how to take the large N limit of this expansion. The relationship to the usual matrix model resolvent is elucidated. Our methods give as a by-product an extremely simple derivation of the Migdal integral equation describing the large N limit of the Itzykson-Zuber formula. We illustrate and check our methods by analysing a number of models solvable by traditional means. We then proceed to solve a new model: a sum over planar graphys possessing even coordination numbers on both the original and the dual lattice. We conclude by formulating the equations for the case of arbitrary sets of even, self-dual coupling constants. This opens the way for studying the deep problems of phase transitions from random to flat lattices. January 1995

Tensor network method for reversible classical computation

NASA Astrophysics Data System (ADS)

Yang, Zhi-Cheng; Kourtis, Stefanos; Chamon, Claudio; Mucciolo, Eduardo R.; Ruckenstein, Andrei E.

2018-03-01

We develop a tensor network technique that can solve universal reversible classical computational problems, formulated as vertex models on a square lattice [Nat. Commun. 8, 15303 (2017), 10.1038/ncomms15303]. By encoding the truth table of each vertex constraint in a tensor, the total number of solutions compatible with partial inputs and outputs at the boundary can be represented as the full contraction of a tensor network. We introduce an iterative compression-decimation (ICD) scheme that performs this contraction efficiently. The ICD algorithm first propagates local constraints to longer ranges via repeated contraction-decomposition sweeps over all lattice bonds, thus achieving compression on a given length scale. It then decimates the lattice via coarse-graining tensor contractions. Repeated iterations of these two steps gradually collapse the tensor network and ultimately yield the exact tensor trace for large systems, without the need for manual control of tensor dimensions. Our protocol allows us to obtain the exact number of solutions for computations where a naive enumeration would take astronomically long times.

Matt waste from glass separated collection: an eco-sustainable addition for new building materials.

PubMed

Bignozzi, M C; Saccani, A; Sandrolini, F

2009-01-01

Matt waste (MW), a by-product of purification processes of cullet derived from separated glass waste collection, has been studied as filler for self-compacting concrete and as an addition for newly blended cement. Properties of self-compacting concrete compared to reference samples are reported. They include characteristics at the fresh and hardened states, and the compressive strength and porosity of mortar samples that were formulated with increasing amounts of MW to be used as cement replacement (up to 50wt.%). The effects of matt waste are discussed with respect to the mechanical and microstructural characteristics of the resulting new materials.

Pharmaceutical cocrystals: walking the talk.

PubMed

Bolla, Geetha; Nangia, Ashwini

2016-06-28

Pharmaceutical cocrystals belong to a sub-class of cocrystals wherein one of the components is a drug molecule (or an active pharmaceutical ingredient, API) and the second is a benign food or drug grade additive (generally regarded as safe, GRAS). The two components are hydrogen-bonded in a fixed stoichiometric ratio in the crystal lattice. In the past decade, pharmaceutical cocrystals have demonstrated significant promise in their ability to modify the physicochemical and pharmacokinetic properties of drug substances, such as the solubility and dissolution rate, bioavailability, particle morphology and size, tableting and compaction, melting point, physical form, biochemical and hydration stability, and permeability. In this feature review, we highlight some prominent examples of drug cocrystals which exhibit variable hardness/softness and elasticity/plasticity depending on coformer selection, improvement of solubility and permeability in the same cocrystal, increase of the melting point for solid formulation, enhanced color performance, photostability and hydration stability, and a longer half-life. Cocrystals of flavanoids and polyphenols can make improved pharmaceuticals and also extend to the larger class of nutraceuticals. The application of crystal engineering to assemble ternary cocrystals expands this field to drug-drug cocrystals which may be useful in multi-drug resistance, mitigating side effects of drugs, or attenuating/enhancing drug action synergistically by rational selection. The advent of new techniques for structural characterization beyond the standard X-ray diffraction will provide a better understanding of drug phases which are at the borderline of crystalline-amorphous nature and even newer opportunities in the future.

Weak hydrogen bonding interactions influence slip system activity and compaction behavior of pharmaceutical powders.

PubMed

Khomane, Kailas S; Bansal, Arvind K

2013-12-01

Markedly different mechanical behavior of powders of polymorphs, cocrystals, hydrate/anhydrate pairs, or structurally similar molecules has been attributed to the presence of active slip planes system in their crystal structures. Presence of slip planes in the crystal lattice allows easier slip under the applied compaction pressure. This allows greater plastic deformation of the powder and results into increased interparticulate bonding area and greater tensile strength of the compacts. Thus, based on this crystallographic feature, tableting performance of the active pharmaceutical ingredients can be predicted. Recently, we encountered a case where larger numbers of CH···O type interactions across the proposed slip planes hinder the slip and thus resist plastic deformation of the powder under the applied compaction pressure. Hence, attention must be given to these types of interactions while identifying slip planes by visualization method. Generally, slip planes are visualized as flat layers often strengthened by a two-dimensional hydrogen-bonding network within the layers or planes. No hydrogen bonding should exist between these layers to consider them as slip planes. Moreover, one should also check the presence of CH···O type interactions across these planes. Mercury software provides an option for visualization of these weak hydrogen bonding interactions. Hence, caution must be exercised while selecting appropriate solid form based on this crystallographic feature. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association.

Two-level structural sparsity regularization for identifying lattices and defects in noisy images

DOE PAGES

Li, Xin; Belianinov, Alex; Dyck, Ondrej E.; ...

2018-03-09

Here, this paper presents a regularized regression model with a two-level structural sparsity penalty applied to locate individual atoms in a noisy scanning transmission electron microscopy image (STEM). In crystals, the locations of atoms is symmetric, condensed into a few lattice groups. Therefore, by identifying the underlying lattice in a given image, individual atoms can be accurately located. We propose to formulate the identification of the lattice groups as a sparse group selection problem. Furthermore, real atomic scale images contain defects and vacancies, so atomic identification based solely on a lattice group may result in false positives and false negatives.more » To minimize error, model includes an individual sparsity regularization in addition to the group sparsity for a within-group selection, which results in a regression model with a two-level sparsity regularization. We propose a modification of the group orthogonal matching pursuit (gOMP) algorithm with a thresholding step to solve the atom finding problem. The convergence and statistical analyses of the proposed algorithm are presented. The proposed algorithm is also evaluated through numerical experiments with simulated images. The applicability of the algorithm on determination of atom structures and identification of imaging distortions and atomic defects was demonstrated using three real STEM images. In conclusion, we believe this is an important step toward automatic phase identification and assignment with the advent of genomic databases for materials.« less

Two-level structural sparsity regularization for identifying lattices and defects in noisy images

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

Li, Xin; Belianinov, Alex; Dyck, Ondrej E.

Here, this paper presents a regularized regression model with a two-level structural sparsity penalty applied to locate individual atoms in a noisy scanning transmission electron microscopy image (STEM). In crystals, the locations of atoms is symmetric, condensed into a few lattice groups. Therefore, by identifying the underlying lattice in a given image, individual atoms can be accurately located. We propose to formulate the identification of the lattice groups as a sparse group selection problem. Furthermore, real atomic scale images contain defects and vacancies, so atomic identification based solely on a lattice group may result in false positives and false negatives.more » To minimize error, model includes an individual sparsity regularization in addition to the group sparsity for a within-group selection, which results in a regression model with a two-level sparsity regularization. We propose a modification of the group orthogonal matching pursuit (gOMP) algorithm with a thresholding step to solve the atom finding problem. The convergence and statistical analyses of the proposed algorithm are presented. The proposed algorithm is also evaluated through numerical experiments with simulated images. The applicability of the algorithm on determination of atom structures and identification of imaging distortions and atomic defects was demonstrated using three real STEM images. In conclusion, we believe this is an important step toward automatic phase identification and assignment with the advent of genomic databases for materials.« less

Nonperturbative evaluation of the physical classical velocity in the lattice heavy quark effective theory

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1998-02-01

In the lattice formulation of heavy quark effective theory, the value of the ``classical velocity'' v, as defined through the separation of the four-momentum of a heavy quark into a part proportional to the heavy quark mass and a residual part that remains finite in the heavy quark limit (P=Mv+p), is different from its value as it appears in the bare heavy quark propagator [S-1(p)=v.p]. The origin of the difference, which is effectively a lattice-induced renormalization, is the reduction of Lorentz [or O(4)] invariance to (hyper)cubic invariance. The renormalization is finite and depends specifically on the form of the discretization of the reduced heavy quark Dirac equation. For the forward time, centered space discretization, we compute this renormalization nonperturbatively, using an ensemble of lattices at β=6.1 provided by the Fermilab ACP-MAPS Collaboration. The calculation makes crucial use of a variationally optimized smeared operator for creating composite heavy-light mesons. It has the property that its propagator achieves an asymptotic plateau in just a few Euclidean time steps. For comparison, we also compute the shift perturbatively, to one loop in lattice perturbation theory. The nonperturbative calculation of the leading multiplicative shift in the classical velocity is considerably different from the one-loop estimate and indicates that for the above parameters v--> is reduced by about 10-13 %.

Quantum chromodynamics near the confinement limit

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

Quigg, C.

1985-09-01

These nine lectures deal at an elementary level with the strong interaction between quarks and its implications for the structure of hadrons. Quarkonium systems are studied as a means for measuring the interquark interaction. This is presumably (part of) the answer a solution to QCD must yield, if it is indeed the correct theory of the strong interactions. Some elements of QCD are reviewed, and metaphors for QCD as a confining theory are introduced. The 1/N expansion is summarized as a way of guessing the consequences of QCD for hadron physics. Lattice gauge theory is developed as a means formore » going beyond perturbation theory in the solution of QCD. The correspondence between statistical mechanics, quantum mechanics, and field theory is made, and simple spin systems are formulated on the lattice. The lattice analog of local gauge invariance is developed, and analytic methods for solving lattice gauge theory are considered. The strong-coupling expansion indicates the existence of a confining phase, and the renormalization group provides a means for recovering the consequences of continuum field theory. Finally, Monte Carlo simulations of lattice theories give evidence for the phase structure of gauge theories, yield an estimate for the string tension characterizing the interquark force, and provide an approximate description of the quarkonium potential in encouraging good agreement with what is known from experiment.« less

Utilization of sorghum, rice, corn flours with potato starch for the preparation of gluten-free pasta.

PubMed

Ferreira, Sila Mary Rodrigues; de Mello, Ana Paula; de Caldas Rosa dos Anjos, Mônica; Krüger, Cláudia Carneiro Hecke; Azoubel, Patrícia Moreira; de Oliveira Alves, Márcia Aurelina

2016-01-15

The aim of this study was to evaluate the use of mixture of sorghum-rice-corn flour and potato starch in the development of gluten-free pasta for celiac disease patients. The experiment was designed according to simplex-lattice method and different types of gluten-free flours were used, such as sorghum, rice, corn, and potato starch. The fifteen formulations were subjected to sensory analysis (Mixed Structured Scale - MSS) and seven formulations were selected in respect to taste and grittiness. These formulations were subjected to Quantitative Descriptive Analysis (QDA), which evaluated the attributes: appearance, color, odor, hardness, elasticity, stickiness, grittiness, taste, residual bitterness and overall quality. Results showed significant difference in appearance, color and hardness. The formulations that showed the best sensory results were submitted to chemical analysis and cooking quality of pasta. It was observed that the best results for mixing is sorghum flour, rice flour and potato starch. Copyright © 2015 Elsevier Ltd. All rights reserved.

Imaging system design for improved information capacity

NASA Technical Reports Server (NTRS)

Fales, C. L.; Huck, F. O.; Samms, R. W.

1984-01-01

Shannon's theory of information for communication channels is used to assess the performance of line-scan and sensor-array imaging systems and to optimize the design trade-offs involving sensitivity, spatial response, and sampling intervals. Formulations and computational evaluations account for spatial responses typical of line-scan and sensor-array mechanisms, lens diffraction and transmittance shading, defocus blur, and square and hexagonal sampling lattices.

TOPICAL REVIEW: Nonlinear aspects of the renormalization group flows of Dyson's hierarchical model

NASA Astrophysics Data System (ADS)

Meurice, Y.

2007-06-01

We review recent results concerning the renormalization group (RG) transformation of Dyson's hierarchical model (HM). This model can be seen as an approximation of a scalar field theory on a lattice. We introduce the HM and show that its large group of symmetry simplifies drastically the blockspinning procedure. Several equivalent forms of the recursion formula are presented with unified notations. Rigourous and numerical results concerning the recursion formula are summarized. It is pointed out that the recursion formula of the HM is inequivalent to both Wilson's approximate recursion formula and Polchinski's equation in the local potential approximation (despite the very small difference with the exponents of the latter). We draw a comparison between the RG of the HM and functional RG equations in the local potential approximation. The construction of the linear and nonlinear scaling variables is discussed in an operational way. We describe the calculation of non-universal critical amplitudes in terms of the scaling variables of two fixed points. This question appears as a problem of interpolation between these fixed points. Universal amplitude ratios are calculated. We discuss the large-N limit and the complex singularities of the critical potential calculable in this limit. The interpolation between the HM and more conventional lattice models is presented as a symmetry breaking problem. We briefly introduce models with an approximate supersymmetry. One important goal of this review is to present a configuration space counterpart, suitable for lattice formulations, of functional RG equations formulated in momentum space (often called exact RG equations and abbreviated ERGE).

Let's Have a Coffee with the Standard Model of Particle Physics!

ERIC Educational Resources Information Center

Woithe, Julia; Wiener, Gerfried J.; Van der Veken, Frederik F.

2017-01-01

The Standard Model of particle physics is one of the most successful theories in physics and describes the fundamental interactions between elementary particles. It is encoded in a compact description, the so-called "Lagrangian," which even fits on t-shirts and coffee mugs. This mathematical formulation, however, is complex and only…

Compact modeling of nanoscale triple-gate junctionless transistors covering drift-diffusion to quasi-ballistic carrier transport

NASA Astrophysics Data System (ADS)

Oproglidis, T. A.; Karatsori, T. A.; Barraud, S.; Ghibaudo, G.; Dimitriadis, C. A.

2018-04-01

In this work, we extend our analytical compact model for nanoscale junctionless triple-gate (JL TG) MOSFETs, capturing carrier transport from drift-diffusion to quasi-ballistic regime. This is based on a simple formulation of the low-field mobility extracted from experimental data using the Y-function method, taking into account the ballistic carrier motion and an increased carrier scattering in process-induced defects near the source/drain regions. The case of a Schottky junction in non-ideal ohmic contact at the drain side was also taken into account by modifying the threshold voltage and ideality factor of the JL transistor. The model is validated with experimental data for n-channel JL TG MOSFETs with channel length varying from 95 down to 25 nm. It can be easily implemented as a compact model for use in Spice circuit simulators.

Collapsing granular beds: the role of interstitial air.

PubMed

Homan, Tess; Gjaltema, Christa; van der Meer, Devaraj

2014-05-01

A prefluidized sand bed consisting of fine particles compactifies when it is subjected to a shock. We observe that the response depends on both the shock strength and the ambient pressure, where, counterintuitively, at high ambient pressure the compaction is larger, which we connect to a decrease of the static friction inside the bed. We find that the interstitial air is trapped inside the bed during and long after compaction. We deduce this from measuring the pressure changes above and below the bed: The top pressure decreases abruptly, on the time scale of the compaction, whereas that below the bed slowly rises to a maximum. Subsequently, both gently relax to ambient values. We formulate a one-dimensional diffusion model that uses only the change in bed height and the ambient pressure as an input, and we show that it leads to a fully quantitative understanding of the measured pressure variations.

Model of superconductivity formation on ideal crystal lattice defect–twin or twin boundary (MSC-TB)

NASA Astrophysics Data System (ADS)

Chizhov, V. A.; Zaitsev, F. S.; Bychkov, V. L.

2018-03-01

The report provides a review of the experimental material on superconductivity (SP) accumulated by 2017, a critical analysis of the Bardeen-Cooper-Schrieffer theory (BCS) has been given, and a new model of the super-conductivity effect proposed in works of V.A. Chizhov has been presented. The new model allows to understand the mechanism of the SP formation and to explain many experimental facts on the basis of the theory of pro-cesses occurring in the ideal defect of the crystal lattice – the twinning boundary (MSC-TB). Specific materials, including new ones, are described, which, in accordance with the theory of MSC-TB, should have improved properties of SC, promising directions for further research are formulated.

Discrete symmetry breaking and baryon currents in U(N) and SU(N) gauge theories

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

Lucini, B.; Patella, A.

2009-06-15

In SU(N) gauge theories with fermions in the fundamental or in a two-index (either symmetric or antisymmetric) representation formulated on a manifold with at least one compact dimension with nontrivial holonomy the discrete symmetries C, P, and T are broken at small enough size of the compact direction(s) for certain values of N. We show that for those N in the broken phase a nonzero baryon current wrapping in the compact direction exists, which provides a measurable observable for the breaking of C, P, and T. We prove that in all cases where the current is absent there is nomore » breaking of those discrete symmetries. This includes the limit N{yields}{infinity} of the SU(N) gauge theory with symmetric or antisymmetric fermions and U(N) gauge theory at any value of N. We then argue that the component of the baryon current in the compact direction is the physical order parameter for C, P, and T breaking due to the breaking of Lorentz invariance.« less

Modified release matrix prepared by compaction of spheres containing waxy material.

PubMed

Bado, L; Ghaly, E S

1995-09-01

In this study, chlorpheniramine maleate spheres were prepared by the extruder/marumerizer. A new waxy material, Gelucire 50/02 at three levels (10%, 30% and 50%) was added and Avicel PH-101 was used as spheronizing material. The drug was incorporated into the waxy material by two methods. The first was the direct method, in which the drug (10%), wax and Avicel PH-101 were mixed together. The second was the fusion method, in which the drug was dispersed in the melted wax and the solidified mass was milled and mixed with Avicel PH-101. The data obtained indicated that simple addition of waxy material into chlorpheniramine maleate-Avicel PH-101 spheres interrupted matrix formation and increased drug release. Also in this study, a multiparticulate delivery system was prepared successfully by compaction of spheres into tablets. Tablets compacted from spheres prepared by fusion method gave less drug release than those compacted from spheres of the same composition but prepared with direct method. As the level of wax was increased in tablet formulation, drug release was decreased.

A hexagonal orthogonal-oriented pyramid as a model of image representation in visual cortex

NASA Technical Reports Server (NTRS)

Watson, Andrew B.; Ahumada, Albert J., Jr.

1989-01-01

Retinal ganglion cells represent the visual image with a spatial code, in which each cell conveys information about a small region in the image. In contrast, cells of the primary visual cortex use a hybrid space-frequency code in which each cell conveys information about a region that is local in space, spatial frequency, and orientation. A mathematical model for this transformation is described. The hexagonal orthogonal-oriented quadrature pyramid (HOP) transform, which operates on a hexagonal input lattice, uses basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The basis functions, which are generated from seven basic types through a recursive process, form an image code of the pyramid type. The seven basis functions, six bandpass and one low-pass, occupy a point and a hexagon of six nearest neighbors on a hexagonal lattice. The six bandpass basis functions consist of three with even symmetry, and three with odd symmetry. At the lowest level, the inputs are image samples. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing square root of 7 larger than the previous level, so that the number of coefficients is reduced by a factor of seven at each level. In the biological model, the input lattice is the retinal ganglion cell array. The resulting scheme provides a compact, efficient code of the image and generates receptive fields that resemble those of the primary visual cortex.

The Bassi Rebay 1 scheme is a special case of the Symmetric Interior Penalty formulation for discontinuous Galerkin discretisations with Gauss-Lobatto points

NASA Astrophysics Data System (ADS)

Manzanero, Juan; Rueda-Ramírez, Andrés M.; Rubio, Gonzalo; Ferrer, Esteban

2018-06-01

In the discontinuous Galerkin (DG) community, several formulations have been proposed to solve PDEs involving second-order spatial derivatives (e.g. elliptic problems). In this paper, we show that, when the discretisation is restricted to the usage of Gauss-Lobatto points, there are important similarities between two common choices: the Bassi-Rebay 1 (BR1) method, and the Symmetric Interior Penalty (SIP) formulation. This equivalence enables the extrapolation of properties from one scheme to the other: a sharper estimation of the minimum penalty parameter for the SIP stability (compared to the more general estimate proposed by Shahbazi [1]), more efficient implementations of the BR1 scheme, and the compactness of the BR1 method for straight quadrilateral and hexahedral meshes.

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

DOE PAGES

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

2016-02-02

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

Nucleon transverse momentum-dependent parton distributions in lattice QCD: Renormalization patterns and discretization effects

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

Yoon, Boram; Engelhardt, Michael; Gupta, Rajan

Lattice QCD calculations of transverse momentum-dependent parton distribution functions (TMDs) in nucleons are presented in this paper, based on the evaluation of nucleon matrix elements of quark bilocal operators with a staple-shaped gauge connection. Both time-reversal odd effects, namely, the generalized Sivers and Boer-Mulders transverse momentum shifts, as well as time-reversal even effects, namely, the generalized transversity and one of the generalized worm-gear shifts, are studied. Results are obtained on two different n f = 2 + 1 flavor ensembles with approximately matching pion masses but very different discretization schemes: domain-wall fermions (DWF) with lattice spacing a = 0.084 fmmore » and pion mass 297 MeV, and Wilson-clover fermions with a = 0.114 fm and pion mass 317 MeV. Comparison of the results on the two ensembles yields insight into the length scales at which lattice discretization errors are small, and into the extent to which the renormalization pattern obeyed by the continuum QCD TMD operator continues to apply in the lattice formulation. For the studied TMD observables, the results are found to be consistent between the two ensembles at sufficiently large separation of the quark fields within the operator, whereas deviations are observed in the local limit and in the case of a straight link gauge connection, which is relevant to the studies of parton distribution functions. Finally and furthermore, the lattice estimates of the generalized Sivers shift obtained here are confronted with, and are seen to tend towards, a phenomenological estimate extracted from experimental data.« less

Nucleon transverse momentum-dependent parton distributions in lattice QCD: Renormalization patterns and discretization effects

DOE PAGES

Yoon, Boram; Engelhardt, Michael; Gupta, Rajan; ...

2017-11-21

Lattice QCD calculations of transverse momentum-dependent parton distribution functions (TMDs) in nucleons are presented in this paper, based on the evaluation of nucleon matrix elements of quark bilocal operators with a staple-shaped gauge connection. Both time-reversal odd effects, namely, the generalized Sivers and Boer-Mulders transverse momentum shifts, as well as time-reversal even effects, namely, the generalized transversity and one of the generalized worm-gear shifts, are studied. Results are obtained on two different n f = 2 + 1 flavor ensembles with approximately matching pion masses but very different discretization schemes: domain-wall fermions (DWF) with lattice spacing a = 0.084 fmmore » and pion mass 297 MeV, and Wilson-clover fermions with a = 0.114 fm and pion mass 317 MeV. Comparison of the results on the two ensembles yields insight into the length scales at which lattice discretization errors are small, and into the extent to which the renormalization pattern obeyed by the continuum QCD TMD operator continues to apply in the lattice formulation. For the studied TMD observables, the results are found to be consistent between the two ensembles at sufficiently large separation of the quark fields within the operator, whereas deviations are observed in the local limit and in the case of a straight link gauge connection, which is relevant to the studies of parton distribution functions. Finally and furthermore, the lattice estimates of the generalized Sivers shift obtained here are confronted with, and are seen to tend towards, a phenomenological estimate extracted from experimental data.« less

Phase stabilization in transparent Lu2O3:Eu ceramics by lattice expansion

NASA Astrophysics Data System (ADS)

Seeley, Z. M.; Dai, Z. R.; Kuntz, J. D.; Cherepy, N. J.; Payne, S. A.

2012-11-01

Gadolinium lutetium oxide transparent ceramics doped with europium (Gd,Lu)2O3:Eu were fabricated via vacuum sintering and hot isostatic pressing (HIP). Nano-scale starting powder with the composition GdxLu1.9-xEu0.1O3 (x = 0, 0.3, 0.6, 0.9, 1.0, and 1.1) were uniaxially pressed and sintered under high vacuum at 1625 °C to obtain ˜97% dense structures with closed porosity. Sintered compacts were then subjected to 200 MPa argon gas at temperatures between 1750 and 1900 °C to reach full density. It was observed that a small portion of the Eu3+ ions were exsolved from the Lu2O3 cubic crystal lattice and concentrated at the grain boundaries, where they precipitated into a secondary monoclinic phase creating optical scattering defects. Addition of Gd3+ ions into the Lu2O3 cubic lattice formed the solid solution (Gd,Lu)2O3:Eu and stretched the lattice parameter allowing the larger Eu3+ ions to stay in solid solution, reducing the secondary phase and improving the transparency of the ceramics. Excess gadolinium, however, resulted in a complete phase transformation to monoclinic at pressures and temperatures sufficient for densification. Light yield performance was measured and all samples show equal amounts of the characteristic Eu3+ luminescence, indicating gadolinium addition had no adverse effect. This material has potential to improve the performance of high energy radiography devices.

Integrable RCS as a Proposed Replacement for Fermilab Booster

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

Eldred, Jeffrey; Valishev, Alexander

2017-03-07

Integrable optics is an innovation in particle accelerator design that potentially enables a greater betatron tune spread and damps collective instabilities. An integrable rapid-cycling synchrotron (RCS) would be an effective replacement for the Fermilab Booster, as part of a plan to reach multi-MW beam power at 120 GeV for the Fermilab high-energy neutrino program. We provide an example integrable lattice with features of a modern RCS - dispersion-free drifts, low momentum compaction factor, superperiodicity, chromaticity correction, bounded beta functions, and separate-function magnets.

Characterization of compressibility and compactibility of poly(ethylene oxide) polymers for modified release application by compaction simulator.

PubMed

Yang, L; Venkatesh, G; Fassihi, R

1996-10-01

Poly(ethylene oxide) polymers (PEO) appear to have great potential for controlled release applications. These polymers are hydrophilic with good water solubility, low toxicity, and high swelling capacity. As part of formulation optimization for a large-scale solid dosage form production, physicomechanical characterization of PEO was undertaken using a compaction simulator. Heckel plots for all PEOs were constructed, and yield pressures (Py) at different punch velocities were calculated from the linear portion of the plots. Low Py values, increase of Py with increasing punch speed, upward curvature of the plot, and strain rate sensitivity values indicate that the densification process and consolidation mechanism for PEOs of various molecular weights (0.2 x 10(6) to 7 x 10(6)) are identical and follow plastic deformation. PEOs have a high degree of crystallinity (57-85%) and show significant axial recovery (15-25%) upon decompression and ejection. The low Py values (58-78 MPa) and low mean compaction pressures demonstrate that volume reduction (compressibility) under pressure is excellent. However, due to viscoelastic behavior and large axial expansion, tablets of relatively low tensile strength are produced. These observations suggest the need to blend PEO with highly compactible excipients in order to produce tables on a high-speed production press.

How much land for your sand: effects of vegetation and compaction on crevasse splay formation

NASA Astrophysics Data System (ADS)

Nienhuis, J.; Tornqvist, T. E.; Esposito, C. R.

2016-12-01

Crevasse splays, failed avulsions that make up a significant portion of fluvio-deltaic overbank architecture in the Mississippi River Delta, are a natural analog for sediment diversions that are being planned to rebuild or sustain coastal wetlands. Here we use Delft3D to study the rates and mechanisms of crevasse splay growth. Because crevasse splays often form in peat-rich and vegetated environments, we have modified Delft3D to include simple formulations for the dynamic interaction between morphodynamics, vegetation, and soil compaction. Detailed stratigraphic data from prehistoric splays in the Mississippi River Delta provide useful constraints on long-term compaction rates, sedimentology, and splay volumes. We find that compaction and the absence of vegetation increase the lifespan of crevasse splays, sometimes from 900 to 4000 flood days (days during which the crevasse is geomorphically active, equivalent to model days in our simulations). Additionally, we find that in a few tested scenarios vegetation primarily acts to increase channel depths and flush out fine-grained sediment towards the flood-basin, decreasing the bulk mud capture efficiency of the splay. One model experiment with moderate vegetation heights and low susceptibility for soil compaction was a particularly "efficient" sediment diversion: every 1 m3 of imported sediment resulted in 2.55 m2 of new land.

10 Steps in Writing the Research Paper. Fourth Edition.

ERIC Educational Resources Information Center

Markman, Roberta H.; And Others

Retaining the compact format of earlier editions, this updated book presents techniques and models for high school and college students to write successful research papers. After a preface and an introduction to research, the book discusses the 10 steps in writing a research paper: (1) find a subject; (2) read a general article; (3) formulate a…

A quality by design approach to investigate the effect of mannitol and dicalcium phosphate qualities on roll compaction.

PubMed

Souihi, Nabil; Dumarey, Melanie; Wikström, Håkan; Tajarobi, Pirjo; Fransson, Magnus; Svensson, Olof; Josefson, Mats; Trygg, Johan

2013-04-15

Roll compaction is a continuous process for solid dosage form manufacturing increasingly popular within pharmaceutical industry. Although roll compaction has become an established technique for dry granulation, the influence of material properties is still not fully understood. In this study, a quality by design (QbD) approach was utilized, not only to understand the influence of different qualities of mannitol and dicalcium phosphate (DCP), but also to predict critical quality attributes of the drug product based solely on the material properties of that filler. By describing each filler quality in terms of several representative physical properties, orthogonal projections to latent structures (OPLS) was used to understand and predict how those properties affected drug product intermediates as well as critical quality attributes of the final drug product. These models were then validated by predicting product attributes for filler qualities not used in the model construction. The results of this study confirmed that the tensile strength reduction, known to affect plastic materials when roll compacted, is not prominent when using brittle materials. Some qualities of these fillers actually demonstrated improved compactability following roll compaction. While direct compression qualities are frequently used for roll compacted drug products because of their excellent flowability and good compaction properties, this study revealed that granules from these qualities were more poor flowing than the corresponding powder blends, which was not seen for granules from traditional qualities. The QbD approach used in this study could be extended beyond fillers. Thus any new compound/ingredient would first be characterized and then suitable formulation characteristics could be determined in silico, without running any additional experiments. Copyright © 2013 Elsevier B.V. All rights reserved.

Optimization of poorly compactable drug tablets manufactured by direct compression using the mixture experimental design.

PubMed

Martinello, Tiago; Kaneko, Telma Mary; Velasco, Maria Valéria Robles; Taqueda, Maria Elena Santos; Consiglieri, Vladi O

2006-09-28

The poor flowability and bad compressibility characteristics of paracetamol are well known. As a result, the production of paracetamol tablets is almost exclusively by wet granulation, a disadvantageous method when compared to direct compression. The development of a new tablet formulation is still based on a large number of experiments and often relies merely on the experience of the analyst. The purpose of this study was to apply experimental design methodology (DOE) to the development and optimization of tablet formulations containing high amounts of paracetamol (more than 70%) and manufactured by direct compression. Nineteen formulations, screened by DOE methodology, were produced with different proportions of Microcel 102, Kollydon VA 64, Flowlac, Kollydon CL 30, PEG 4000, Aerosil, and magnesium stearate. Tablet properties, except friability, were in accordance with the USP 28th ed. requirements. These results were used to generate plots for optimization, mainly for friability. The physical-chemical data found from the optimized formulation were very close to those from the regression analysis, demonstrating that the mixture project is a great tool for the research and development of new formulations.

Uniform GTD solution for the diffraction by metallic tapes on panelled compact-range reflectors

NASA Technical Reports Server (NTRS)

Somers, G. A.; Pathak, P. H.

1992-01-01

Metallic tape is commonly used to cover the interpanel gaps which occur in paneled compact-range reflectors. It is therefore of interest to study the effect of the scattering by the tape on the field in the target zone of the range. An analytical solution is presented for the target zone fields scattered by 2D metallic tapes. It is formulated by the generalized scattering matrix technique in conjunction with the Wiener-Hopf procedure. An extension to treat 3D tapes can be accomplished using the 2D solution via the equivalent current concept. The analytical solution is compared with a reference moment method solution to confirm the accuracy of the former.

Load-Direction-Derived Support Structures for Wind Turbines: A Lattice Tower Concept and Preparations for Future Certifications: Preprint

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

Jonkman, Jason; Damiani, Rick R; Struve, Achim

The call for more cost-effective and environmentally friendly tower concepts is motivated by tower costs [1] and tower CO2-emission contributions [2], which are high relative to the whole wind turbine system. The proposed rotatable tower concept with yaw bearing at the bottom instead of the top of the tower will provide beneficial economic and environmental impacts to the turbine system. This wind alignment capability indicates a load-direction-derived tower design. By combining this approach with a lattice concept, large material and cost savings for the tower can be achieved. This paper presents a way to analyze and verify the proposed designmore » through aero-servo-elastic simulations, which make future certifications of rotatable tower concepts viable. For this reason, the state-of-the-art, open-source lattice-tower finite-element-method (FEM) module SubDyn [10], developed by the National Renewable Energy Laboratory, has been modified to account for arbitrary member cross-sections. Required changes in the beam element stiffness and mass matrix formulation took place according to an energy method [13]. All validated adaptions will be usable within the aero-servo-elastic simulation framework FAST and are also beneficial for other nonrotatable lattice structures.« less

Beam-dynamics driven design of the LHeC energy-recovery linac

NASA Astrophysics Data System (ADS)

Pellegrini, Dario; Latina, Andrea; Schulte, Daniel; Bogacz, S. Alex

2015-12-01

The LHeC is envisioned as a natural upgrade of the LHC that aims at delivering an electron beam for collisions with the existing hadronic beams. The current baseline design for the electron facility consists of a multipass superconducting energy-recovery linac (ERL) operating in a continuous wave mode. The unprecedently high energy of the multipass ERL combined with a stringent emittance dilution budget poses new challenges for the beam optics. Here, we investigate the performances of a novel arc architecture based on a flexible momentum compaction lattice that mitigates the effects of synchrotron radiation while containing the bunch lengthening. Extensive beam-dynamics investigations have been performed with placet2, a recently developed tracking code for recirculating machines. They include the first end-to-end tracking and a simulation of the machine operation with a continuous beam. This paper briefly describes the Conceptual Design Report lattice, with an emphasis on possible and proposed improvements that emerged from the beam-dynamics studies. The detector bypass section has been integrated in the lattice, and its design choices are presented here. The stable operation of the ERL with a current up to ˜150 mA in the linacs has been validated in the presence of single- and multibunch wakefields, synchrotron radiation, and beam-beam effects.

Investigation of 2D photonic crystal structure based channel drop filter using quad shaped photonic crystal ring resonator for CWDM system

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

Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com; Dusad, Lalit Kumar; Rajasthan Technical University, Kota, Rajasthan

In this paper, the design & performance of two dimensional (2-D) photonic crystal structure based channel drop filter is investigated using quad shaped photonic crystal ring resonator. In this paper, Photonic Crystal (PhC) based on square lattice periodic arrays of Gallium Indium Phosphide (GaInP) rods in air structure have been investigated using Finite Difference Time Domain (FDTD) method and photonic band gap is being calculated using Plane Wave Expansion (PWE) method. The PhC designs have been optimized for telecommunication wavelength λ= 1571 nm by varying the rods lattice constant. The number of rods in Z and X directions is 21 andmore » 20, with lattice constant 0.540 nm it illustrates that the arrangement of Gallium Indium Phosphide (GaInP) rods in the structure which gives the overall size of the device around 11.4 µm × 10.8 µm. The designed filter gives good dropping efficiency using 3.298, refractive index. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.« less

A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

DOE PAGES

Zeng, Y.; Hunter, A.; Beyerlein, I. J.; ...

2015-09-14

In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τ crit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τ crit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results showmore » that the value of τ crit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τ crit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τ crit values.« less

Large eddy simulation of rotating turbulent flows and heat transfer by the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Liou, Tong-Miin; Wang, Chun-Sheng

2018-01-01

Due to its advantage in parallel efficiency and wall treatment over conventional Navier-Stokes equation-based methods, the lattice Boltzmann method (LBM) has emerged as an efficient tool in simulating turbulent heat and fluid flows. To properly simulate the rotating turbulent flow and heat transfer, which plays a pivotal role in tremendous engineering devices such as gas turbines, wind turbines, centrifugal compressors, and rotary machines, the lattice Boltzmann equations must be reformulated in a rotating coordinate. In this study, a single-rotating reference frame (SRF) formulation of the Boltzmann equations is newly proposed combined with a subgrid scale model for the large eddy simulation of rotating turbulent flows and heat transfer. The subgrid scale closure is modeled by a shear-improved Smagorinsky model. Since the strain rates are also locally determined by the non-equilibrium part of the distribution function, the calculation process is entirely local. The pressure-driven turbulent channel flow with spanwise rotation and heat transfer is used for validating the approach. The Reynolds number characterized by the friction velocity and channel half height is fixed at 194, whereas the rotation number in terms of the friction velocity and channel height ranges from 0 to 3.0. A working fluid of air is chosen, which corresponds to a Prandtl number of 0.71. Calculated results are demonstrated in terms of mean velocity, Reynolds stress, root mean square (RMS) velocity fluctuations, mean temperature, RMS temperature fluctuations, and turbulent heat flux. Good agreement is found between the present LBM predictions and previous direct numerical simulation data obtained by solving the conventional Navier-Stokes equations, which confirms the capability of the proposed SRF LBM and subgrid scale relaxation time formulation for the computation of rotating turbulent flows and heat transfer.

Many-body effects in the mobility and diffusivity of interstitial solute in a crystalline solid: The case of helium in BCC tungsten

NASA Astrophysics Data System (ADS)

Wen, Haohua; Semenov, A. A.; Woo, C. H.

2017-09-01

The many-body dynamics of a crystalline solid containing an interstitial solute atom (ISA) is usually interpreted within the one-particle approximation as a random walker hopping among trapping centers at periodic lattice sites. The corresponding mobility and diffusivity can be formulated based on the transition-state theory in the form of the Arrhenius law. Possible issues arising from the many-body nature of the dynamics may need to be understood and resolved both scientifically and technologically. Noting the congruence between the dynamics of the many-body and stochastic systems within the Mori-Zwanzig theory, we analyzed the dynamics of a model particle subjected to a saw-tooth potential in a noisy medium. The ISA mobility is found to be governed by two sources of dissipative friction: that which is produced by the scattering of lattice waves by the moving ISA (phonon wind), and that which is derived from the energy dissipation associated with overcoming the migration barrier screened by lattice waves (i.e., phonon screened). The many-body effect in both cases increases with temperature, so that the first component of the friction is important at high temperatures and the second component is important at low temperatures. A formulation built on this mechanistic structure of the dissipative friction requires the mobility and diffusivity to be expressed not only in terms of the migration enthalpy and entropy, but also of the phonon drag coefficient. As a test, the complex temperature dependence of the mobility and diffusivity of interstitial helium in BCC W obtained from molecular-dynamics simulation is very well reproduced.

A novel formulation for unsteady counterflow flames using a thermal-conductivity-weighted coordinate

NASA Astrophysics Data System (ADS)

Weiss, Adam D.; Vera, Marcos; Liñán, Amable; Sánchez, Antonio L.; Williams, Forman A.

2018-01-01

A general formulation is given for the description of reacting mixing layers in stagnation-type flows subject to both time-varying strain and pressure. The salient feature of the formulation is the introduction of a thermal-conductivity-weighted transverse coordinate that leads to a compact transport operator that facilitates numerical integration and theoretical analysis. For steady counterflow mixing layers, the associated transverse mass flux is shown to be effectively linear in terms of the new coordinate, so that the conservation equations for energy and chemical species uncouple from the mass and momentum conservation equations, thereby greatly simplifying the solution. Comparisons are shown with computations of diffusion flames with infinitely fast reaction using both the classic Howarth-Dorodnitzyn density-weighted coordinate and the new thermal-conductivity-weighted coordinate, illustrating the advantages of the latter. Also, as an illustrative application of the formulation to the computation of unsteady counterflows, the flame response to harmonically varying strain is examined in the linear limit.

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

Spectroscopy of exotic hadrons formed from dynamical diquarks

NASA Astrophysics Data System (ADS)

Lebed, Richard F.

2017-12-01

The dynamical diquark picture asserts that exotic hadrons can be formed from widely separated colored diquark or triquark components. We use the Born-Oppenheimer (BO) approximation to study the spectrum of states thus constructed, both in the basis of diquark spins and in the basis of heavy quark-antiquark spins. We develop a compact notation for naming these states, and use the results of lattice simulations for hybrid mesons to predict the lowest expected BO potentials for both tetraquarks and pentaquarks. We then compare to the set of exotic candidates with experimentally determined quantum numbers, and find that all of them can be accommodated. Once decay modes are also considered, one can develop selection rules of both exact (JP C conservation) and approximate (within the context of the BO approximation) types and test their effectiveness. We find that the most appealing way to satisfy both sets of selection rules requires including additional low-lying BO potentials, a hypothesis that can be checked on the lattice.

Gaussian solitary waves and compactons in Fermi–Pasta–Ulam lattices with Hertzian potentials

PubMed Central

James, Guillaume; Pelinovsky, Dmitry

2014-01-01

We consider a class of fully nonlinear Fermi–Pasta–Ulam (FPU) lattices, consisting of a chain of particles coupled by fractional power nonlinearities of order α>1. This class of systems incorporates a classical Hertzian model describing acoustic wave propagation in chains of touching beads in the absence of precompression. We analyse the propagation of localized waves when α is close to unity. Solutions varying slowly in space and time are searched with an appropriate scaling, and two asymptotic models of the chain of particles are derived consistently. The first one is a logarithmic Korteweg–de Vries (KdV) equation and possesses linearly orbitally stable Gaussian solitary wave solutions. The second model consists of a generalized KdV equation with Hölder-continuous fractional power nonlinearity and admits compacton solutions, i.e. solitary waves with compact support. When , we numerically establish the asymptotically Gaussian shape of exact FPU solitary waves with near-sonic speed and analytically check the pointwise convergence of compactons towards the limiting Gaussian profile. PMID:24808748

Near transferable phenomenological n-body potentials for noble metals

NASA Astrophysics Data System (ADS)

Pontikis, Vassilis; Baldinozzi, Gianguido; Luneville, Laurence; Simeone, David

2017-09-01

We present a semi-empirical model of cohesion in noble metals with suitable parameters reproducing a selected set of experimental properties of perfect and defective lattices in noble metals. It consists of two short-range, n-body terms accounting respectively for attractive and repulsive interactions, the former deriving from the second moment approximation of the tight-binding scheme and the latter from the gas approximation of the kinetic energy of electrons. The stability of the face centred cubic versus the hexagonal compact stacking is obtained via a long-range, pairwise function of customary use with ionic pseudo-potentials. Lattice dynamics, molecular statics, molecular dynamics and nudged elastic band calculations show that, unlike previous potentials, this cohesion model reproduces and predicts quite accurately thermodynamic properties in noble metals. In particular, computed surface energies, largely underestimated by existing empirical cohesion models, compare favourably with measured values, whereas predicted unstable stacking-fault energy profiles fit almost perfectly ab initio evaluations from the literature. All together the results suggest that this semi-empirical model is nearly transferable.

Near transferable phenomenological n-body potentials for noble metals.

PubMed

Pontikis, Vassilis; Baldinozzi, Gianguido; Luneville, Laurence; Simeone, David

2017-09-06

We present a semi-empirical model of cohesion in noble metals with suitable parameters reproducing a selected set of experimental properties of perfect and defective lattices in noble metals. It consists of two short-range, n-body terms accounting respectively for attractive and repulsive interactions, the former deriving from the second moment approximation of the tight-binding scheme and the latter from the gas approximation of the kinetic energy of electrons. The stability of the face centred cubic versus the hexagonal compact stacking is obtained via a long-range, pairwise function of customary use with ionic pseudo-potentials. Lattice dynamics, molecular statics, molecular dynamics and nudged elastic band calculations show that, unlike previous potentials, this cohesion model reproduces and predicts quite accurately thermodynamic properties in noble metals. In particular, computed surface energies, largely underestimated by existing empirical cohesion models, compare favourably with measured values, whereas predicted unstable stacking-fault energy profiles fit almost perfectly ab initio evaluations from the literature. All together the results suggest that this semi-empirical model is nearly transferable.

Percolation and cooperation with mobile agents: geometric and strategy clusters.

PubMed

Vainstein, Mendeli H; Brito, Carolina; Arenzon, Jeferson J

2014-08-01

We study the conditions for persistent cooperation in an off-lattice model of mobile agents playing the Prisoner's Dilemma game with pure, unconditional strategies. Each agent has an exclusion radius r(P), which accounts for the population viscosity, and an interaction radius r(int), which defines the instantaneous contact network for the game dynamics. We show that, differently from the r(P)=0 case, the model with finite-sized agents presents a coexistence phase with both cooperators and defectors, besides the two absorbing phases, in which either cooperators or defectors dominate. We provide, in addition, a geometric interpretation of the transitions between phases. In analogy with lattice models, the geometric percolation of the contact network (i.e., irrespective of the strategy) enhances cooperation. More importantly, we show that the percolation of defectors is an essential condition for their survival. Differently from compact clusters of cooperators, isolated groups of defectors will eventually become extinct if not percolating, independently of their size.

Thermoelectrics. Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics.

PubMed

Kim, Sang Il; Lee, Kyu Hyoung; Mun, Hyeon A; Kim, Hyun Sik; Hwang, Sung Woo; Roh, Jong Wook; Yang, Dae Jin; Shin, Weon Ho; Li, Xiang Shu; Lee, Young Hee; Snyder, G Jeffrey; Kim, Sung Wng

2015-04-03

The widespread use of thermoelectric technology is constrained by a relatively low conversion efficiency of the bulk alloys, which is evaluated in terms of a dimensionless figure of merit (zT). The zT of bulk alloys can be improved by reducing lattice thermal conductivity through grain boundary and point-defect scattering, which target low- and high-frequency phonons. Dense dislocation arrays formed at low-energy grain boundaries by liquid-phase compaction in Bi(0.5)Sb(1.5)Te3 (bismuth antimony telluride) effectively scatter midfrequency phonons, leading to a substantially lower lattice thermal conductivity. Full-spectrum phonon scattering with minimal charge-carrier scattering dramatically improved the zT to 1.86 ± 0.15 at 320 kelvin (K). Further, a thermoelectric cooler confirmed the performance with a maximum temperature difference of 81 K, which is much higher than current commercial Peltier cooling devices. Copyright © 2015, American Association for the Advancement of Science.

Design Considerations for Proposed Fermilab Integrable RCS

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

Eldred, Jeffrey; Valishev, Alexander

2017-03-02

Integrable optics is an innovation in particle accelerator design that provides strong nonlinear focusing while avoiding parametric resonances. One promising application of integrable optics is to overcome the traditional limits on accelerator intensity imposed by betatron tune-spread and collective instabilities. The efficacy of high-intensity integrable accelerators will be undergo comprehensive testing over the next several years at the Fermilab Integrable Optics Test Accelerator (IOTA) and the University of Maryland Electron Ring (UMER). We propose an integrable Rapid-Cycling Synchrotron (iRCS) as a replacement for the Fermilab Booster to achieve multi-MW beam power for the Fermilab high-energy neutrino program. We provide amore » overview of the machine parameters and discuss an approach to lattice optimization. Integrable optics requires arcs with integer-pi phase advance followed by drifts with matched beta functions. We provide an example integrable lattice with features of a modern RCS - long dispersion-free drifts, low momentum compaction, superperiodicity, chromaticity correction, separate-function magnets, and bounded beta functions.« less

Evidence for Symmetry Reduction in Ti3(Al1-δCuδ)C2 MAX Phase Solid Solutions.

PubMed

Nechiche, Mustapha; Cabioc'h, Thierry; Caspi, Elad N; Rivin, Oleg; Hoser, Andreas; Gauthier-Brunet, Véronique; Chartier, Patrick; Dubois, Sylvain

2017-12-04

Ti 3 [Al 1-δ Cu δ ]C 2 MAX phase solid solutions have been synthesized by sintering compacted Ti 3 AlC 2 -Cu composites produced by mechanical milling. Using X-ray and neutron diffraction techniques, it is demonstrated that the Cu mixing into the Al site is accompanied by lattice distortion, which leads to symmetry reduction from a hexagonal to a monoclinic structure. Such symmetry reduction likely results from this mixing through deviation of the A-site position from the special (0, 0, 1 / 4 ) position within the P6 3 /mmc space group of the original Ti 3 AlC 2 structure. Moreover, it is demonstrated that the Cu admixture into the A site can be adjusted from the composition of the reactant mixture. The lattice parameter variation of the solid solution compounds, with 10-50 atom % Cu in the A site, is found to be consistent with Vegard's law.

Effect of crospovidone and hydroxypropyl cellulose on carbamazepine in high-dose tablet formulation.

PubMed

Flicker, Felicia; Betz, Gabriele

2012-06-01

The aim of this study was to develop a high-dose tablet formulation of the poorly soluble carbamazepine (CBZ) with sufficient tablet hardness and immediate drug release. A further aim was to investigate the influence of various commercial CBZ raw materials on the optimized tablet formulation. Hydroxypropyl cellulose (HPC-SL) was selected as a dry binder and crospovidone (CrosPVP) as a superdisintegrant. A direct compacted tablet formulation of 70% CBZ was optimized by a 3² full factorial design with two input variables, HPC (0--10%) and CrosPVP (0--5%). Response variables included disintegration time, amount of drug released at 15 and 60 min, and tablet hardness, all analyzed according to USP 31. Increasing HPC-SL together with CrosPVP not only increased tablet hardness but also reduced disintegration time. Optimal condition was achieved in the range of 5--9% HPC and 3--5% CrosPVP, where tablet properties were at least 70 N tablet hardness, less than 1 min disintegration, and within the USP requirements for drug release. Testing the optimized formulation with four different commercial CBZ samples, their variability was still observed. Nonetheless, all formulations conformed to the USP specifications. With the excipients CrosPVP and HPC-SL an immediate release tablet formulation was successfully formulated for high-dose CBZ of various commercial sources.

A discrete scattering series representation for lattice embedded models of chain cyclization

NASA Astrophysics Data System (ADS)

Fraser, Simon J.; Winnik, Mitchell A.

1980-01-01

In this paper we develop a lattice based model of chain cyclization in the presence of a set of occupied sites V in the lattice. We show that within the approximation of a Markovian chain propagator the effect of V on the partition function for the system can be written as a time-ordered exponential series in which V behaves like a scattering potential and chainlength is the timelike parameter. The discrete and finite nature of this model allows us to obtain rigorous upper and lower bounds to the series limit. We adapt these formulas to calculation of the partition functions and cyclization probabilities of terminally and globally cyclizing chains. Two classes of cyclization are considered: in the first model the target set H may be visited repeatedly (the Markovian model); in the second case vertices in H may be visited at most once(the non-Markovian or taboo model). This formulation depends on two fundamental combinatorial structures, namely the inclusion-exclusion principle and the set of subsets of a set. We have tried to interpret these abstract structures with physical analogies throughout the paper.

Lattice density functional theory for confined Ising fluids: comparison between different functional approximations in slit pore

NASA Astrophysics Data System (ADS)

Chen, Xueqian; Feng, Wei; Liu, Honglai; Hu, Ying

2016-09-01

In this paper, Lafuente and Cuesta's cluster density functional theory (CDFT) and lattice mean field approximation (LMFA) are formulated and compared within the framework of lattice density functional theory (LDFT). As a comparison, an LDFT based on our previous work on nonrandom correction to LMFA is also developed, where local density approximation is adopted on the correction. The numerical results of density distributions of an Ising fluid confined in a slit pore obtained from Monte Carlo simulation are used to check these functional approximations. Due to rational treatment on the coupling between site-excluding entropic effect and contact-attracting enthalpic effect by CDFT with Bethe-Peierls approximation (named as BPA-CDFT for short), the improvement of BPA-CDFT beyond LMFA is checked as expected. And it is interesting that our LDFT has a comparative accuracy with BPA-CDFT. Apparent differences between the profiles such as solvation force, excess adsorption quantity and interfacial tension from LMFA and non-LMFAs are found in our calculations. We also discuss some possible theoretical extensions of BPA-CDFT.

Quantum Engineering of Dynamical Gauge Fields on Optical Lattices

DTIC Science & Technology

2016-07-08

opens the door for exciting new research directions, such as quantum simulation of the Schwinger model and of non-Abelian models. (a) Papers...exact blocking formulas from the TRG formulation of the transfer matrix. The second is a worm algorithm. The particle number distributions obtained...a fact that can be explained by an approximate particle- hole symmetry. We have also developed a computer code suite for simulating the Abelian

Evolution equations for connected and disconnected sea parton distributions

NASA Astrophysics Data System (ADS)

Liu, Keh-Fei

2017-08-01

It has been revealed from the path-integral formulation of the hadronic tensor that there are connected sea and disconnected sea partons. The former is responsible for the Gottfried sum rule violation primarily and evolves the same way as the valence. Therefore, the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi evolution equations can be extended to accommodate them separately. We discuss its consequences and implications vis-á-vis lattice calculations.

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.

Portent of Heine's Reciprocal Square Root Identity

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

Cohl, H W

Precise efforts in theoretical astrophysics are needed to fully understand the mechanisms that govern the structure, stability, dynamics, formation, and evolution of differentially rotating stars. Direct computation of the physical attributes of a star can be facilitated by the use of highly compact azimuthal and separation angle Fourier formulations of the Green's functions for the linear partial differential equations of mathematical physics.

Mercury Vapor Release from Broken Compact Fluorescent Lamps and In Situ Capture by New Nanomaterial Sorbents

PubMed Central

2008-01-01

The projected increase in the use of compact fluorescent lamps (CFLs) motivates the development of methods to manage consumer exposure to mercury and its environmental release at the end of lamp life. This work characterizes the time-resolved release of mercury vapor from broken CFLs and from underlying substrates after removal of glass fragments to simulate cleanup. In new lamps, mercury vapor is released gradually in amounts that reach 1.3 mg or 30% of the total lamp inventory after four days. Similar time profiles but smaller amounts are released from spent lamps or from underlying substrates. Nanoscale formulations of S, Se, Cu, Ni, Zn, Ag, and WS2 are evaluated for capture of Hg vapor under these conditions and compared to conventional microscale formulations. Adsorption capacities range over 7 orders of magnitude, from 0.005 (Zn micropowder) to 188 000 μg/g (unstabilized nano-Se), depending on sorbent chemistry and particle size. Nanosynthesis offers clear advantages for most sorbent chemistries. Unstabilized nano-selenium in two forms (dry powder and impregnated cloth) was successfully used in a proof-of-principle test for the in situ, real-time suppression of Hg vapor escape following CFL fracture. PMID:18754507

Mercury vapor release from broken compact fluorescent lamps and in situ capture by new nanomaterial sorbents.

PubMed

Johnson, Natalie C; Manchester, Shawn; Sarin, Love; Gao, Yuming; Kulaots, Indrek; Hurt, Robert H

2008-08-01

The projected increase in the use of compact fluorescent lamps (CFLs) motivates the development of methods to manage consumer exposure to mercury and its environmental release at the end of lamp life. This work characterizes the time-resolved release of mercury vapor from broken CFLs and from underlying substrates after removal of glass fragments to simulate cleanup. In new lamps, mercury vapor is released gradually in amounts that reach 1.3 mg or 30% of the total lamp inventory after four days. Similar time profiles but smaller amounts are released from spent lamps or from underlying substrates. Nanoscale formulations of S, Se, Cu, Ni, Zn, Ag, and WS2 are evaluated for capture of Hg vapor under these conditions and compared to conventional microscale formulations. Adsorption capacities range over 7 orders of magnitude, from 0.005 (Zn micropowder) to 188 000 microg/g (unstabilized nano-Se), depending on sorbent chemistry and particle size. Nanosynthesis offers clear advantages for most sorbent chemistries. Unstabilized nano-selenium in two forms (dry powder and impregnated cloth) was successfully used in a proof-of-principle test for the in situ, real-time suppression of Hg vapor escape following CFL fracture.

The Effect of Formulation Excipients and Thermal Treatment on the Release Properties of Lisinopril Spheres and Tablets.

PubMed

Amador Ríos, Zoriely; Ghaly, Evone Shehata

2015-01-01

Multiparticulate systems are used in the development of controlled release systems. The objective of this study was to determine the effect of the wax level, the type of excipient, and the exposure of the tablets to thermal treatment on drug release. Spheres from multiparticulate system with different wax levels and excipients were developed using the drug Lisinopril and compressed into tablets; these tablets were analyzed to determine the drug release. All tablets contained constant level of Lisinopril (10% w/w) and Compritol (30% and 50% w/w). Also, as a diluent, all of them contained 30% w/w Avicel and 30% w/w dibasic calcium phosphate or lactose, or 60% Avicel. Tablets compacted from spheres prepared by extruder/marumerizer and using 30% w/w lipid and 60% Avicel released 84% of drug at six hours of dissolution testing, while tablets of the same composition but prepared using 30% dibasic calcium phosphate and 30% Avicel released 101%. When the tablets were thermally treated, the drug release reduced. As the percent of lipid increased in the formulation, the drug release decreased. Compaction of tablets prepared from spheres with wax has potential for controlling the drug release.

Performance of Low Dissipative High Order Shock-Capturing Schemes for Shock-Turbulence Interactions

NASA Technical Reports Server (NTRS)

Sandham, N. D.; Yee, H. C.

1998-01-01

Accurate and efficient direct numerical simulation of turbulence in the presence of shock waves represents a significant challenge for numerical methods. The objective of this paper is to evaluate the performance of high order compact and non-compact central spatial differencing employing total variation diminishing (TVD) shock-capturing dissipations as characteristic based filters for two model problems combining shock wave and shear layer phenomena. A vortex pairing model evaluates the ability of the schemes to cope with shear layer instability and eddy shock waves, while a shock wave impingement on a spatially-evolving mixing layer model studies the accuracy of computation of vortices passing through a sequence of shock and expansion waves. A drastic increase in accuracy is observed if a suitable artificial compression formulation is applied to the TVD dissipations. With this modification to the filter step the fourth-order non-compact scheme shows improved results in comparison to second-order methods, while retaining the good shock resolution of the basic TVD scheme. For this characteristic based filter approach, however, the benefits of compact schemes or schemes with higher than fourth order are not sufficient to justify the higher complexity near the boundary and/or the additional computational cost.

High-shear granulation as a manufacturing method for cocrystal granules.

PubMed

Rehder, Sönke; Christensen, Niels Peter Aae; Rantanen, Jukka; Rades, Thomas; Leopold, Claudia S

2013-11-01

Cocrystal formation allows the tailoring of physicochemical as well as of mechanical properties of an API. However, there is a lack of large-scale manufacturing methods of cocrystals. Therefore, the objective of this work was to examine the suitability of high-shear wet granulation as a manufacturing method for cocrystal granules on a batch scale. Furthermore, the cocrystal granules were characterized regarding their mechanical properties as well as their dissolution behavior. High-shear wet granulation was found to be a feasible manufacturing method for cocrystal granules. Cocrystal formation depended on the exposure time of the solids to the granulation liquid (water), the amount of liquid, the impeller speed of the granulator, and on the excipients (hydroxyl propylcellulose, microcrystalline cellulose, calcium hydrogenphosphate) used in the formulation. Storage stability was strongly influenced by the excipients, since in presence of calcium hydrogenphosphate, the poorly water-soluble salt calcium tartrate monohydrate was formed at high relative humidity. Interestingly, compactability was increased by cocrystal formation compared to that of the reference granules (piracetam and the respective excipients). The drug release was slightly decreased by cocrystal formation, most likely due to the lower solubility of the cocrystal. In the presence of calcium hydrogenphosphate however, no influence of cocrystal formation on either compactability or on drug release were observed, compared with the reference tablets. It was concluded that high-shear wet granulation is a valuable, however complex, manufacturing method for cocrystals. Cocrystal formation may influence compactability and drug release and thus affect drug performance and should be investigated during pre-formulation. Copyright © 2013 Elsevier B.V. All rights reserved.

Compaction of granular materials composed of deformable particles

NASA Astrophysics Data System (ADS)

Nguyen, Thanh Hai; Nezamabadi, Saeid; Delenne, Jean-Yves; Radjai, Farhang

2017-06-01

In soft particle materials such as metallic powders the particles can undergo large deformations without rupture. The large elastic or plastic deformations of the particles are expected to strongly affect the mechanical properties of these materials compared to hard particle materials more often considered in research on granular materials. Herein, two numerical approaches are proposed for the simulation of soft granular systems: (i) an implicit formulation of the Material Point Method (MPM) combined with the Contact Dynamics (CD) method to deal with contact interactions, and (i) Bonded Particle Model (BPM), in which each deformable particle is modeled as an aggregate of rigid primary particles using the CD method. These two approaches allow us to simulate the compaction of an assembly of elastic or plastic particles. By analyzing the uniaxial compaction of 2D soft particle packings, we investigate the effects of particle shape change on the stress-strain relationship and volume change behavior as well as the evolution of the microstructure.

Discrete exterior calculus approach for discretizing Maxwell's equations on face-centered cubic grids for FDTD

NASA Astrophysics Data System (ADS)

Salmasi, Mahbod; Potter, Michael

2018-07-01

Maxwell's equations are discretized on a Face-Centered Cubic (FCC) lattice instead of a simple cubic as an alternative to the standard Yee method for improvements in numerical dispersion characteristics and grid isotropy of the method. Explicit update equations and numerical dispersion expressions, and the stability criteria are derived. Also, several tools available to the standard Yee method such as PEC/PMC boundary conditions, absorbing boundary conditions, and scattered field formulation are extended to this method as well. A comparison between the FCC and the Yee formulations is made, showing that the FCC method exhibits better dispersion compared to its Yee counterpart. Simulations are provided to demonstrate both the accuracy and grid isotropy improvement of the method.

Quantum electronic stress: density-functional-theory formulation and physical manifestation.

PubMed

Hu, Hao; Liu, Miao; Wang, Z F; Zhu, Junyi; Wu, Dangxin; Ding, Hepeng; Liu, Zheng; Liu, Feng

2012-08-03

The concept of quantum electronic stress (QES) is introduced and formulated within density functional theory to elucidate extrinsic electronic effects on the stress state of solids and thin films in the absence of lattice strain. A formal expression of QES (σ(QE)) is derived in relation to deformation potential of electronic states (Ξ) and variation of electron density (Δn), σ(QE) = ΞΔn as a quantum analog of classical Hooke's law. Two distinct QES manifestations are demonstrated quantitatively by density functional theory calculations: (1) in the form of bulk stress induced by charge carriers and (2) in the form of surface stress induced by quantum confinement. Implications of QES in some physical phenomena are discussed to underlie its importance.

Tunable, superconducting, surface-emitting teraherz source

DOEpatents

Welp, Ulrich [Lisle, IL; Koshelev, Alexei E [Bolingbrook, IL; Gray, Kenneth E [Evanston, IL; Kwok, Wai-Kwong [Evanston, IL; Vlasko-Vlasov, Vitalii [Downers Grove, IL

2009-10-27

A compact, solid-state THz source based on the driven Josephson vortex lattice in a highly anisotropic superconductor such as Bi.sub.2Sr.sub.2CaCu.sub.2O.sub.8 that allows cw emission at tunable frequency. A second order metallic Bragg grating is used to achieve impedance matching and to induce surface emission of THz-radiation from a Bi.sub.2Sr.sub.2CaCu.sub.2O.sub.8 sample. Steering of the emitted THz beam is accomplished by tuning the Josephson vortex spacing around the grating period using a superimposed magnetic control field.

Tunable, superconducting, surface-emitting teraherz source

DOEpatents

Welp, Ulrich; Koshelev, Alexei E.; Gray, Kenneth E.; Kwok, Wai-Kwong; Vlasko-Vlasov, Vitalii

2010-05-11

A compact, solid-state THz source based on the driven Josephson vortex lattice in a highly anisotropic superconductor such as Bi.sub.2Sr.sub.2CaCu.sub.2O.sub.8 that allows cw emission at tunable frequency. A second order metallic Bragg grating is used to achieve impedance matching and to induce surface emission of THz-radiation from a Bi.sub.2Sr.sub.2CaCu.sub.2O.sub.8 sample. Steering of the emitted THz beam is accomplished by tuning the Josephson vortex spacing around the grating period using a superimposed magnetic control field.

Polarization control in flexible interference lithography for nano-patterning of different photonic structures with optimized contrast.

PubMed

He, Jianfang; Fang, Xiaohui; Lin, Yuanhai; Zhang, Xinping

2015-05-04

Half-wave plates were introduced into an interference-lithography scheme consisting of three fibers that were arranged into a rectangular triangle. Such a flexible and compact geometry allows convenient tuning of the polarizations of both the UV laser source and each branch arm. This not only enables optimization of the contrast of the produced photonic structures with expected square lattices, but also multiplies the nano-patterning functions of a fixed design of fiber-based interference lithography. The patterns of the photonic structures can be thus tuned simply by rotating a half-wave plate.

Orientation of doubly rotated quartz plates.

PubMed

Sherman, J R

1989-01-01

A derivation from classical spherical trigonometry of equations to compute the orientation of doubly-rotated quartz blanks from Bragg X-ray data is discussed. These are usually derived by compact and efficient vector methods, which are reviewed briefly. They are solved by generating a quadratic equation with numerical coefficients. Two methods exist for performing the computation from measurements against two planes: a direct solution by a quadratic equation and a process of convergent iteration. Both have a spurious solution. Measurement against three lattice planes yields a set of three linear equations the solution of which is an unambiguous result.

Universality and stationarity of the I-Love relation for self-bound stars

NASA Astrophysics Data System (ADS)

Chan, T. K.; Chan, AtMa P. O.; Leung, P. T.

2016-01-01

The emergence of the I-Love-Q relations, revealing that the moment of inertia, the tidal Love number (deformability) and the spin-induced quadrupole moment of compact stars are, to high accuracy, interconnected in a universal way disregarding the wide variety of equations of state (EOSs) of dense matter, has attracted much interest recently. However, the physical origin of these relations is still a debatable issue. In the present paper, we focus on the I-Love relation for self-bound stars (SBSs) such as incompressible stars and quark stars. We formulate perturbative expansions for the moment of inertia, the tidal Love number (deformability) and the I-Love relation of SBSs. By comparing the respective I-Love relations of incompressible stars and a specific kind of SBSs, we show analytically that the I-Love relation is, to relevant leading orders in stellar compactness, stationary with respect to changes in the EOS about the incompressible limit. Hence, the universality of the I-Love relation is indeed attributable to the proximity of compact stars to incompressible stars, and the stationarity of the relation as unveiled here. We also discover that the moment of inertia and the tidal deformability of a SBS with finite compressibility are, to leading order in compactness, equal to their counterparts of an incompressible star with an adjusted compactness, thus leading to a novel explanation for the I-Love universal relation.

Evaluation of the deformation behavior of binary systems of methacrylic acid copolymers and hydroxypropyl methylcellulose using a compaction simulator.

PubMed

Tatavarti, Aditya S; Muller, Francis X; Hoag, Stephen W

2008-02-04

Methacrylic acid copolymers have been shown to enhance release of weakly basic drugs from rate controlling polymer matrices through the mechanism of microenvironmental pH modulation. Since these matrices are typically formed through a compaction process, an understanding of the deformation behavior of these polymers in there neat form and in combination with rate controlling polymers such as HPMC is critical to their successful formulation. Binary mixes of two methacrylic acid copolymers, Eudragit L100 and L100-55 in combination with HPMC K4M were subjected to compaction studies on a compaction simulator. The deformation behavior of the powder mixes was analyzed based on pressure-porosity relationships, strain rate sensitivity (SRS), residual die wall force data and work of compaction. Methacrylic acid copolymers, L100-55 and L-100 and the hydrophilic polymer, HPMC K4M exhibited Heckel plots representative of plastic deformation although L-100 exhibited significantly greater resistance to densification as evident from the high yield pressure values ( approximately 120MPa). The yield pressures for the binary mixes were linearly related to the weight fractions of the components. All powder mixes exhibited significant speed sensitivity with SRS values ranging from 21.7% to 42.4%. The residual die-wall pressures indicated that at slow speeds (1mm/s) and at lower pressures (<150MPa), HPMC possesses significant elastic behavior. However, the good compacts formed at this punch speed indicate significant plastic deformation and bond formation which is able to predominate over the elastic recovery component. The apparent mean yield pressure values, the residual die-wall forces and the net work of compaction exhibited a linear relationship with mixture composition, thereby indicating predictability of these parameters based on the behavior of the neat materials.

Teleparallel theories of gravity as analogue of nonlinear electrodynamics

NASA Astrophysics Data System (ADS)

Hohmann, Manuel; Järv, Laur; Krššák, Martin; Pfeifer, Christian

2018-05-01

The teleparallel formulation of gravity theories reveals close structural analogies to electrodynamics, which are more hidden in their usual formulation in terms of the curvature of spacetime. We show how every locally Lorentz invariant teleparallel theory of gravity with second-order field equations can be understood as built from a gravitational field strength and excitation tensor which are related to each other by a constitutive relation, analogous to the premetric construction of theories of electrodynamics. We demonstrate how the previously studied models of f (T ) and f (Tax,Tten,Tvec) gravity as well as teleparallel dark energy can be formulated in this language. The advantage of this approach to gravity is that the field equations for different models all take the same compact form and general results can be obtained. An important new such result we find is a constraint which relates the field equations of the tetrad and the spin connection.

FG90 chitosan as a new polymer for metronidazole mucoadhesive tablets for vaginal administration.

PubMed

Perioli, Luana; Ambrogi, Valeria; Pagano, Cinzia; Scuota, Stefania; Rossi, Carlo

2009-07-30

Topical administration of the antibacterial metronidazole (MET) represents the most common therapy in the treatment of bacterial vaginosis (BV). The formulations generally available for BV therapy are creams, gels, vaginal lavages and vaginal suppositories. In this study, a new dosage form, containing MET, was developed with the aim to realize vaginal mucoadhesive tablets by including bioadhesive polymers as chitosan (FG90C), polyvinylpyrrolidone (PVPK90) and polycarbophil (PCPAA1), blended in different ratios. All formulations were characterized by studies of DSC, friability, hardness, hydration, mucoadhesion, in vitro release and antibacterial activity. All polymer mixtures employed were used to prepare tablets with the compactness and hardness so as allow the application on vaginal mucosa. FG90C performances improved in particular when mixed to PVPK90 (1:1 ratio). This kind of delivery system is suitable for formulating MET for topical application representing a good alternative to traditional dosage forms for vaginal topical administration.

Lattice quantum gravity and asymptotic safety

NASA Astrophysics Data System (ADS)

Laiho, J.; Bassler, S.; Coumbe, D.; Du, D.; Neelakanta, J. T.

2017-09-01

We study the nonperturbative formulation of quantum gravity defined via Euclidean dynamical triangulations (EDT) in an attempt to make contact with Weinberg's asymptotic safety scenario. We find that a fine-tuning is necessary in order to recover semiclassical behavior. Such a fine-tuning is generally associated with the breaking of a target symmetry by the lattice regulator; in this case we argue that the target symmetry is the general coordinate invariance of the theory. After introducing and fine-tuning a nontrivial local measure term, we find no barrier to taking a continuum limit, and we find evidence that four-dimensional, semiclassical geometries are recovered at long distance scales in the continuum limit. We also find that the spectral dimension at short distance scales is consistent with 3 /2 , a value that could resolve the tension between asymptotic safety and the holographic entropy scaling of black holes. We argue that the number of relevant couplings in the continuum theory is one, once symmetry breaking by the lattice regulator is accounted for. Such a theory is maximally predictive, with no adjustable parameters. The cosmological constant in Planck units is the only relevant parameter, which serves to set the lattice scale. The cosmological constant in Planck units is of order 1 in the ultraviolet and undergoes renormalization group running to small values in the infrared. If these findings hold up under further scrutiny, the lattice may provide a nonperturbative definition of a renormalizable quantum field theory of general relativity with no adjustable parameters and a cosmological constant that is naturally small in the infrared.

Analysis of continuously rotating quadrupole focusing channels using generalized Courant-Snyder theory

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

Chung, Moses; Qin, Hong; Gilson, Erik

2013-01-01

By extending the recently developed generalized Courant-Snyder theory for coupled transverse beam dynamics, we have constructed the Gaussian beam distribution and its projections with arbitrary mode emittance ratios. The new formulation has been applied to a continuously-rotating quadrupole focusing channel because the basic properties of this channel are known theoretically and could also be investigated experimentally in a compact setup such as the linear Paul trap configuration. The new formulation retains a remarkably similar mathematical structure to the original Courant-Snyder theory, and thus provides a powerful theoretical tool to investigate coupled transverse beam dynamics in general and more complex linearmore » focusing channels.« less

Analysis of continuously rotating quadrupole focusing channels using generalized Courant-Snyder theory

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

Chung, Moses; Qin, Hong; Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026

2013-08-15

By extending the recently developed generalized Courant-Snyder theory for coupled transverse beam dynamics, we have constructed the Gaussian beam distribution and its projections with arbitrary mode emittance ratios. The new formulation has been applied to a continuously rotating quadrupole focusing channel because the basic properties of this channel are known theoretically and could also be investigated experimentally in a compact setup such as the linear Paul trap configuration. The new formulation retains a remarkably similar mathematical structure to the original Courant-Snyder theory, and thus, provides a powerful theoretical tool to investigate coupled transverse beam dynamics in general and more complexmore » linear focusing channels.« less

Geodesic regression for image time-series.

PubMed

Niethammer, Marc; Huang, Yang; Vialard, François-Xavier

2011-01-01

Registration of image-time series has so far been accomplished (i) by concatenating registrations between image pairs, (ii) by solving a joint estimation problem resulting in piecewise geodesic paths between image pairs, (iii) by kernel based local averaging or (iv) by augmenting the joint estimation with additional temporal irregularity penalties. Here, we propose a generative model extending least squares linear regression to the space of images by using a second-order dynamic formulation for image registration. Unlike previous approaches, the formulation allows for a compact representation of an approximation to the full spatio-temporal trajectory through its initial values. The method also opens up possibilities to design image-based approximation algorithms. The resulting optimization problem is solved using an adjoint method.

Some aspects of multicomponent excess free energy models with subregular binaries

NASA Astrophysics Data System (ADS)

Cheng, Weiji; Ganguly, Jibamitra

1994-09-01

We have shown that two of the most commonly used multicomponent formulations of excess Gibbs free energy of mixing, those by WOHL (1946, 1953) and REDLICH and KISTER (1948), are formally equivalent if the binaries are constrained to have subregular properties, and also that other subregular multicomponent formulations developed in the mineralogical and geochemical literature are equivalent to, or higher order extensions of, these formulations. We have also presented a compact derivation of a multicomponent subregular solution leading to the same expression as derived by HELFFRICH and WOOD (1989). It is shown that Wohl's multicomponent formulation involves combination of binary excess free energies, which are calculated at compositions obtained by normal projection of the multicomponent composition onto the bounding binary joins, and is, thus, equivalent to the formulation developed by MUGGIANU et al. (1975). Finally, following the lead of HILLERT (1980), we have explored the limiting behavior of regular and subregular ternary solutions when a pair of components become energetically equivalent, and have, thus, derived an expression for calculating the ternary interaction parameter in a ternary solution from a knowledge of the properties of the bounding binaries, when one of these binaries is nearly ideal.

Design of minimum multiplier fractional order differentiator based on lattice wave digital filter.

PubMed

Barsainya, Richa; Rawat, Tarun Kumar; Kumar, Manjeet

2017-01-01

In this paper, a novel design of fractional order differentiator (FOD) based on lattice wave digital filter (LWDF) is proposed which requires minimum number of multiplier for its structural realization. Firstly, the FOD design problem is formulated as an optimization problem using the transfer function of lattice wave digital filter. Then, three optimization algorithms, namely, genetic algorithm (GA), particle swarm optimization (PSO) and cuckoo search algorithm (CSA) are applied to determine the optimal LWDF coefficients. The realization of FOD using LWD structure increases the design accuracy, as only N number of coefficients are to be optimized for Nth order FOD. Finally, two design examples of 3rd and 5th order lattice wave digital fractional order differentiator (LWDFOD) are demonstrated to justify the design accuracy. The performance analysis of the proposed design is carried out based on magnitude response, absolute magnitude error (dB), root mean square (RMS) magnitude error, arithmetic complexity, convergence profile and computation time. Simulation results are attained to show the comparison of the proposed LWDFOD with the published works and it is observed that an improvement of 29% is obtained in the proposed design. The proposed LWDFOD approximates the ideal FOD and surpasses the existing ones reasonably well in mid and high frequency range, thereby making the proposed LWDFOD a promising technique for the design of digital FODs. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Quality-by-design III: application of near-infrared spectroscopy to monitor roller compaction in-process and product quality attributes of immediate release tablets.

PubMed

Kona, Ravikanth; Fahmy, Raafat M; Claycamp, Gregg; Polli, James E; Martinez, Marilyn; Hoag, Stephen W

2015-02-01

The objective of this study is to use near-infrared spectroscopy (NIRS) coupled with multivariate chemometric models to monitor granule and tablet quality attributes in the formulation development and manufacturing of ciprofloxacin hydrochloride (CIP) immediate release tablets. Critical roller compaction process parameters, compression force (CFt), and formulation variables identified from our earlier studies were evaluated in more detail. Multivariate principal component analysis (PCA) and partial least square (PLS) models were developed during the development stage and used as a control tool to predict the quality of granules and tablets. Validated models were used to monitor and control batches manufactured at different sites to assess their robustness to change. The results showed that roll pressure (RP) and CFt played a critical role in the quality of the granules and the finished product within the range tested. Replacing binder source did not statistically influence the quality attributes of the granules and tablets. However, lubricant type has significantly impacted the granule size. Blend uniformity, crushing force, disintegration time during the manufacturing was predicted using validated PLS regression models with acceptable standard error of prediction (SEP) values, whereas the models resulted in higher SEP for batches obtained from different manufacturing site. From this study, we were able to identify critical factors which could impact the quality attributes of the CIP IR tablets. In summary, we demonstrated the ability of near-infrared spectroscopy coupled with chemometrics as a powerful tool to monitor critical quality attributes (CQA) identified during formulation development.

Development of thermosensitive chitosan/glicerophospate injectable in situ gelling solutions for potential application in intraoperative fluorescence imaging and local therapy of hepatocellular carcinoma: a preliminary study.

PubMed

Salis, Andrea; Rassu, Giovanna; Budai-Szűcs, Maria; Benzoni, Ilaria; Csányi, Erzsébet; Berkó, Szilvia; Maestri, Marcello; Dionigi, Paolo; Porcu, Elena P; Gavini, Elisabetta; Giunchedi, Paolo

2015-01-01

Thermosensitive chitosan/glycerophosphate (C/GP) solutions exhibiting sol-gel transition around body temperature were prepared to develop a class of injectable hydrogel platforms for the imaging and loco-regional treatment of hepatocellular carcinoma (HCC). Indocyanine green (ICG) was loaded in the thermosensitive solutions in order to assess their potential for the detection of tumor nodules by fluorescence. The gel formation of these formulations as well as their gelling time, injectability, compactness and resistance of gel structure, gelling temperature, storage conditions, biodegradability, and in vitro dye release behavior were investigated. Ex vivo studies were carried out for preliminary evaluation using an isolated bovine liver. Gel strengths and gelation rates increased with the cross-link density between C and GP. These behaviors are more evident for C/GP solutions, which displayed a gel-like precipitation at 4°C. Furthermore, formulations with the lowest cross-link density between C and GP exhibited the best injectability due to a lower resistance to flow. The loading of the dye did not influence the gelation rate. ICG was not released from the hydrogels because of a strong electrostatic interaction between C and ICG. Ex vivo preliminary studies revealed that these injectable formulations remain in correspondence of the injected site. The developed ICG-loaded hydrogels have the potential for intraoperative fluorescence imaging and local therapy of HCC as embolic agents. They form in situ compact gels and have a good potential for filling vessels and/or body cavities.

Solid-State Characterization of Novel Propylene Glycol Ester Solvates Isolated from Lipid Formulations.

PubMed

Chakravarty, Paroma; Kothari, Sanjeev; Deese, Alan; Lubach, Joseph W

2015-07-06

The purpose of this study was to identify and characterize precipitates obtained from a liquid formulation of GNE068.HCl, a Genentech developmental compound, and lipophilic excipients, such as propylene glycol monocaprylate, and monolaurate. Precipitates were characterized using powder X-ray diffractometry (PXRD), differential scanning calorimetry, thermogravimetry, microscopy, nuclear magnetic resonance spectroscopy (NMR; solution and solid-state) and water sorption analysis. PXRD and NMR revealed the precipitates to be crystalline solvates of propylene glycol esters. The solvates (capryolate and lauroglycolate) were isomorphic and stable up to 70 °C, beyond which melting of the lattice occurred with subsequent dissolution of the active ingredient in the melt (microscopy and variable temperature PXRD). They were found to be mechanically stable (no change in PXRD pattern upon compression) and were nonhygroscopic up to ∼70% RH (25 °C). Our results highlight the outcome of inadvertent drug-excipient interactions in two separate lipid solution formulations with good solid-state properties and, thus, potential for further development.

Non-arrhenius behavior in the unfolding of a short, hydrophobic alpha-helix. Complementarity of molecular dynamics and lattice model simulations.

PubMed

Collet, Olivier; Chipot, Christophe

2003-05-28

The unfolding of the last, C-terminal residue of AcNH(2)-(l-Leu)(11)-NHMe in its alpha-helical form has been investigated by measuring the variation of free energy involved in the alpha(R) to beta conformational transition. These calculations were performed using large-scale molecular dynamics simulations in conjunction with the umbrella sampling method. For different temperatures ranging from 280 to 370 K, the free energy of activation was estimated. Concurrently, unfolding simulations of a homopolypeptide formed by twelve hydrophobic residues were carried out, employing a three-dimensional lattice model description of the peptide, with a temperature-dependent interaction potential. Using a Monte Carlo approach, the lowest free energy conformation, an analogue of a right-handed alpha-helix, was determined in the region where the peptide chain is well ordered. The free energy barrier separating this state from a distinct, compact conformation, analogue to a beta-strand, was determined over a large enough range of temperatures. The results of these molecular dynamics and lattice model simulations are consistent and indicate that the kinetics of the unfolding of a hydrophobic peptide exhibits a non-Arrhenius behavior closely related to the temperature dependence of the hydrophobic effect. These results further illuminate the necessity to include a temperature dependence in potential energy functions designed for coarse-grained models of proteins.

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

Liu, Keh-Fei; Draper, Terrence

It is emphasized in the 2015 NSAC Long Range Plan that "understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics." Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. Wemore » started out by calculating the nucleon form factors -- electromagnetic, axial-vector, πNN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the `quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the D s meson decay constant f Ds, the strangeness and charmness, the meson mass decomposition and the strange quark spin from the anomalous Ward identity. Recently, we have started to include multiple lattices with different lattice spacings and different volumes including large lattices at the physical pion mass point. We are getting quite close to being able to calculate the hadron structure at the physical point and to do the continuum and large volume extrapolations, which is our ultimate aim. We have now finished several projects which have included these systematic corrections. They include the leptonic decay width of the ρ, the πN sigma and strange sigma terms, and the strange quark magnetic moment. Over the years, we have also studied hadron spectroscopy with lattice calculations and in phenomenology. These include Roper resonance, pentaquark state, charmonium spectrum, glueballs, scalar mesons a 0(1450) and σ(600) and other scalar mesons, and the 1 -+ meson. In addition, we have employed the canonical approach to explore the first-order phase transition and the critical point at finite density and finite temperature. We have also discovered a new parton degree of freedom -- the connected sea partons, from the path-integral formulation of the hadronic tensor, which explains the experimentally observed Gottfried sum rule violation. Combining experimental result on the strange parton distribution, the CT10 global fitting results of the total u and d anti-partons and the lattice result of the ratio of the momentum fraction of the strange vs that of u or d in the disconnected insertion, we have shown that the connected sea partons can be isolated. In this final technical report, we shall present a few representative highlights that have been achieved in the project.« less

Formulation and characterization of a compacted multiparticulate system for modified release of water-soluble drugs--Part II theophylline and cimetidine.

PubMed

Cantor, Stuart L; Hoag, Stephen W; Augsburger, Larry L

2009-05-01

The purpose was to investigate the effectiveness of an ethylcellulose (EC) bead matrix and different film-coating polymers in delaying drug release from compacted multiparticulate systems. Formulations containing theophylline or cimetidine granulated with Eudragit RS 30D were developed and beads were produced by extrusion-spheronization. Drug beads were coated using 15% wt/wt Surelease or Eudragit NE 30D and were evaluated for true density, particle size, and sphericity. Lipid-based placebo beads and drug beads were blended together and compacted on an instrumented Stokes B2 rotary tablet press. Although placebo beads were significantly less spherical, their true density of 1.21 g/cm(3) and size of 855 mum were quite close to Surelease-coated drug beads. Curing improved the crushing strength and friability values for theophylline tablets containing Surelease-coated beads; 5.7 +/- 1.0 kP and 0.26 +/- 0.07%, respectively. Dissolution profiles showed that the EC matrix only provided 3 h of drug release. Although tablets containing Surelease-coated theophylline beads released drug fastest overall (t(44.2%) = 8 h), profiles showed that coating damage was still minimal. Size and density differences indicated a minimal segregation potential during tableting for blends containing Surelease-coated drug beads. Although modified release profiles >8 h were achievable in tablets for both drugs using either coating polymer, Surelease-coated theophylline beads released drug fastest overall. This is likely because of the increased solubility of theophylline and the intrinsic properties of the Surelease films. Furthermore, the lipid-based placebos served as effective cushioning agents by protecting coating integrity of drug beads under a number of different conditions while tableting.

Computational intelligence models to predict porosity of tablets using minimum features

PubMed Central

Khalid, Mohammad Hassan; Kazemi, Pezhman; Perez-Gandarillas, Lucia; Michrafy, Abderrahim; Szlęk, Jakub; Jachowicz, Renata; Mendyk, Aleksander

2017-01-01

The effects of different formulations and manufacturing process conditions on the physical properties of a solid dosage form are of importance to the pharmaceutical industry. It is vital to have in-depth understanding of the material properties and governing parameters of its processes in response to different formulations. Understanding the mentioned aspects will allow tighter control of the process, leading to implementation of quality-by-design (QbD) practices. Computational intelligence (CI) offers an opportunity to create empirical models that can be used to describe the system and predict future outcomes in silico. CI models can help explore the behavior of input parameters, unlocking deeper understanding of the system. This research endeavor presents CI models to predict the porosity of tablets created by roll-compacted binary mixtures, which were milled and compacted under systematically varying conditions. CI models were created using tree-based methods, artificial neural networks (ANNs), and symbolic regression trained on an experimental data set and screened using root-mean-square error (RMSE) scores. The experimental data were composed of proportion of microcrystalline cellulose (MCC) (in percentage), granule size fraction (in micrometers), and die compaction force (in kilonewtons) as inputs and porosity as an output. The resulting models show impressive generalization ability, with ANNs (normalized root-mean-square error [NRMSE] =1%) and symbolic regression (NRMSE =4%) as the best-performing methods, also exhibiting reliable predictive behavior when presented with a challenging external validation data set (best achieved symbolic regression: NRMSE =3%). Symbolic regression demonstrates the transition from the black box modeling paradigm to more transparent predictive models. Predictive performance and feature selection behavior of CI models hints at the most important variables within this factor space. PMID:28138223

Computational intelligence models to predict porosity of tablets using minimum features.

PubMed

Khalid, Mohammad Hassan; Kazemi, Pezhman; Perez-Gandarillas, Lucia; Michrafy, Abderrahim; Szlęk, Jakub; Jachowicz, Renata; Mendyk, Aleksander

2017-01-01

The effects of different formulations and manufacturing process conditions on the physical properties of a solid dosage form are of importance to the pharmaceutical industry. It is vital to have in-depth understanding of the material properties and governing parameters of its processes in response to different formulations. Understanding the mentioned aspects will allow tighter control of the process, leading to implementation of quality-by-design (QbD) practices. Computational intelligence (CI) offers an opportunity to create empirical models that can be used to describe the system and predict future outcomes in silico. CI models can help explore the behavior of input parameters, unlocking deeper understanding of the system. This research endeavor presents CI models to predict the porosity of tablets created by roll-compacted binary mixtures, which were milled and compacted under systematically varying conditions. CI models were created using tree-based methods, artificial neural networks (ANNs), and symbolic regression trained on an experimental data set and screened using root-mean-square error (RMSE) scores. The experimental data were composed of proportion of microcrystalline cellulose (MCC) (in percentage), granule size fraction (in micrometers), and die compaction force (in kilonewtons) as inputs and porosity as an output. The resulting models show impressive generalization ability, with ANNs (normalized root-mean-square error [NRMSE] =1%) and symbolic regression (NRMSE =4%) as the best-performing methods, also exhibiting reliable predictive behavior when presented with a challenging external validation data set (best achieved symbolic regression: NRMSE =3%). Symbolic regression demonstrates the transition from the black box modeling paradigm to more transparent predictive models. Predictive performance and feature selection behavior of CI models hints at the most important variables within this factor space.

Thermal noise in a boost-invariant matter expansion in relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Chattopadhyay, Chandrodoy; Bhalerao, Rajeev S.; Pal, Subrata

2018-05-01

We formulate a general theory of thermal fluctuations within causal second-order viscous hydrodynamic evolution of matter formed in relativistic heavy-ion collisions. The fluctuation is treated perturbatively on top of a boost-invariant longitudinal expansion. Numerical simulation of thermal noise is performed for a lattice quantum chromodynamics equation of state and for various second-order dissipative evolution equations. Phenomenological effects of thermal fluctuations on the two-particle rapidity correlations are studied.

A Method to Formulate the Unit Cell for Density Functional Theory (DFT) Calculations of the Electronic Band Structure of Heterostructures of Two-dimensional Nanosheets

DTIC Science & Technology

2015-04-01

distribution is unlimited. i CONTENTS Page Introduction 1 Two-dimensional Material Geometry and Analogs with Close-packed Systems 1 Matching... System Lattice Vectors: An Optimization Problem 1 Generating the System Unit Cell 3 Transition Metal Dichalcogenides (TMDCS) with Mismatched... system being analyzed. The creation of a unit cell that accurately describes the system remains one of the largest challenges for DFT calculations

The light bound states of N=1 supersymmetric SU(3) Yang-Mills theory on the lattice

NASA Astrophysics Data System (ADS)

Ali, Sajid; Bergner, Georg; Gerber, Henning; Giudice, Pietro; Montvay, Istvan; Münster, Gernot; Piemonte, Stefano; Scior, Philipp

2018-03-01

In this article we summarise our results from numerical simulations of N=1 supersymmetric Yang-Mills theory with gauge group SU(3). We use the formulation of Curci and Veneziano with clover-improved Wilson fermions. The masses of various bound states have been obtained at different values of the gluino mass and gauge coupling. Extrapolations to the limit of vanishing gluino mass indicate that the bound states form mass-degenerate supermultiplets.

Crystallization of a non-steroidal anti-inflammatory drug from ethanol-water solution in presence of polymers: physicochemical characterization and release behaviour from suppositories.

PubMed

Mallick, Subrata; Dey, Pintu K; Sannigrahi, Santanu; Mitra, Avishek

2004-01-01

Altered crystallization condition has been designed and adopted to a model non-steroidal anti-inflammatory drug, while crystallizing from ethanol-water solution in absence and presence of polymers such as Eudragit RS and ethylcellulose. To minimize the gastro-intestinal side effects nimesulide was considered as a model drug candidate for the development of suppository formulation. Physicochemical characteristics of the crystals were evaluated by Scanning Electron Microscopy (SEM). X-ray diffraction (XRD) and Fourier Transformed Infrared Spectroscopy (FT-IR). Smoothness and sharpness of the crystal have been decreased with increased concentration of a polymer. A little change in crystal habit and geometry has also been observed. Crystals are discrete in nature and more than 90% were in the range of 20-90 micron. The X-ray diffractions of nimesulide crystallized in absence of polymer and physical mixture of drug-polymer revealed fewer high intensity reflections when compared with the drug crystallized in presence of Eudragit RS, which testified a slight decreased ordering of crystal lattice in the latter. In presence of ethylcellulose, slightly increased ordering of crystal lattice was observed. No strong interactions were noticed as revealed by FT-IR spectroscopy. Drug dissolution rate from suppository formulations containing nimesulide crystallized in presence of polymer was found to delay as compared with the suppository prepared by nimesulide crystallized in absence of polymer.

Charge-based MOSFET model based on the Hermite interpolation polynomial

NASA Astrophysics Data System (ADS)

Colalongo, Luigi; Richelli, Anna; Kovacs, Zsolt

2017-04-01

An accurate charge-based compact MOSFET model is developed using the third order Hermite interpolation polynomial to approximate the relation between surface potential and inversion charge in the channel. This new formulation of the drain current retains the same simplicity of the most advanced charge-based compact MOSFET models such as BSIM, ACM and EKV, but it is developed without requiring the crude linearization of the inversion charge. Hence, the asymmetry and the non-linearity in the channel are accurately accounted for. Nevertheless, the expression of the drain current can be worked out to be analytically equivalent to BSIM, ACM and EKV. Furthermore, thanks to this new mathematical approach the slope factor is rigorously defined in all regions of operation and no empirical assumption is required.

Coherent States for Kronecker Products of Non Compact Groups: Formulation and Applications

NASA Technical Reports Server (NTRS)

Bambah, Bindu A.; Agarwal, Girish S.

1996-01-01

We introduce and study the properties of a class of coherent states for the group SU(1,1) X SU(1,1) and derive explicit expressions for these using the Clebsch-Gordan algebra for the SU(1,1) group. We restrict ourselves to the discrete series representations of SU(1,1). These are the generalization of the 'Barut Girardello' coherent states to the Kronecker Product of two non-compact groups. The resolution of the identity and the analytic phase space representation of these states is presented. This phase space representation is based on the basis of products of 'pair coherent states' rather than the standard number state canonical basis. We discuss the utility of the resulting 'bi-pair coherent states' in the context of four-mode interactions in quantum optics.

Modeling of intragranular misorientation and grain fragmentation in polycrystalline materials using the viscoplastic self-consistent formulation

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

Zecevic, Miroslav; Lebensohn, Ricardo A.; McCabe, Rodney J.

In this paper, the recently established methodology to use known algorithmic expressions of the second moments of the stress field in the grains of a polycrystalline aggregate for calculating average fluctuations of lattice rotation rates and the associated average intragranular misorientation distributions using the mean-field viscoplastic self-consistent (VPSC) formulation is extended to solve the coupled problem of considering the effect of intragranular misorientations on stress and rotation rate fluctuations. In turn, these coupled expressions are used to formulate and implement a grain fragmentation (GF) model in VPSC. Case studies, including tension and plane-strain compression of face-centered cubic polycrystals are usedmore » to illustrate the capabilities of the new model. GF-VPSC predictions of intragranular misorientation distributions and texture evolution are compared with experiments and full-field numerical simulations, showing good agreement. In particular, the inclusion of misorientation spreads reduced the intensity of the deformed texture and thus improved the texture predictions. Finally and moreover, considering that intragranular misorientations act as driving forces for recrystallization, the new GF-VPSC formulation is shown to enable modeling of microstructure evolution during deformation and recrystallization, in a computationally efficient manner.« less

Modeling of intragranular misorientation and grain fragmentation in polycrystalline materials using the viscoplastic self-consistent formulation

DOE PAGES

Zecevic, Miroslav; Lebensohn, Ricardo A.; McCabe, Rodney J.; ...

2018-06-15

In this paper, the recently established methodology to use known algorithmic expressions of the second moments of the stress field in the grains of a polycrystalline aggregate for calculating average fluctuations of lattice rotation rates and the associated average intragranular misorientation distributions using the mean-field viscoplastic self-consistent (VPSC) formulation is extended to solve the coupled problem of considering the effect of intragranular misorientations on stress and rotation rate fluctuations. In turn, these coupled expressions are used to formulate and implement a grain fragmentation (GF) model in VPSC. Case studies, including tension and plane-strain compression of face-centered cubic polycrystals are usedmore » to illustrate the capabilities of the new model. GF-VPSC predictions of intragranular misorientation distributions and texture evolution are compared with experiments and full-field numerical simulations, showing good agreement. In particular, the inclusion of misorientation spreads reduced the intensity of the deformed texture and thus improved the texture predictions. Finally and moreover, considering that intragranular misorientations act as driving forces for recrystallization, the new GF-VPSC formulation is shown to enable modeling of microstructure evolution during deformation and recrystallization, in a computationally efficient manner.« less

Method of modelling the compaction behaviour of cylindrical pharmaceutical tablets.

PubMed

Ahmat, Norhayati; Ugail, Hassan; Castro, Gabriela González

2011-02-28

The mechanisms involved for compaction of pharmaceutical powders have become a crucial step in the development cycle for robust tablet design with required properties. Compressibility of pharmaceutical materials is measured by a force-displacement relationship which is commonly analysed using a well known method, the Heckel model. This model requires the true density and compacted powder mass value to determine the powder mean yield pressure. In this paper, we present a technique for shape modelling of pharmaceutical tablets based on the use of partial differential equations (PDEs). This work also presents an extended formulation of the PDE method to a higher dimensional space by increasing the number of parameters responsible for describing the surface in order to generate a solid tablet. Furthermore, the volume and the surface area of the parametric cylindrical tablet have been estimated numerically. Finally, the solution of the axisymmetric boundary value problem for a finite cylinder subject to a uniform axial load has been utilised in order to model the displacement components of a compressed PDE-based representation of a tablet. The Heckel plot obtained from the developed model shows that the model is capable of predicting the compaction behaviour of pharmaceutical materials since it fits the experimental data accurately. Copyright © 2010 Elsevier B.V. All rights reserved.

Modeling of Firn Compaction for Estimating Ice-Sheet Mass Change from Observed Ice-Sheet Elevation Change

NASA Technical Reports Server (NTRS)

Li, Jun; Zwally, H. Jay

2011-01-01

Changes in ice-sheet surface elevation are caused by a combination of ice-dynamic imbalance, ablation, temporal variations in accumulation rate, firn compaction and underlying bedrock motion. Thus, deriving the rate of ice-sheet mass change from measured surface elevation change requires information on the rate of firn compaction and bedrock motion, which do not involve changes in mass, and requires an appropriate firn density to associate with elevation changes induced by recent accumulation rate variability. We use a 25 year record of surface temperature and a parameterization for accumulation change as a function of temperature to drive a firn compaction model. We apply this formulation to ICESat measurements of surface elevation change at three locations on the Greenland ice sheet in order to separate the accumulation-driven changes from the ice-dynamic/ablation-driven changes, and thus to derive the corresponding mass change. Our calculated densities for the accumulation-driven changes range from 410 to 610 kg/cu m, which along with 900 kg/cu m for the dynamic/ablation-driven changes gives average densities ranging from 680 to 790 kg/cu m. We show that using an average (or "effective") density to convert elevation change to mass change is not valid where the accumulation and the dynamic elevation changes are of opposite sign.

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

NASA Astrophysics Data System (ADS)

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

2014-11-01

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

Two-dimensional triangular lattice and its application to lithium-intercalated layered compounds

NASA Astrophysics Data System (ADS)

Decerqueira, R. O.

1982-08-01

Good rechargeable batteries are being searched for use in electric vehicles and in energy storage during off-peak consumption periods and from solar sources. The interest in lithium intercalation compounds has been recently enhanced by the search for such batteries. The process of intercalation of lithium in several transition metal dichalcogenides can provide an emf of several volts. The progress achieved in the last decade in the investigation of these intercalates has been facilitated by the availability of the dichalcogenides as single crystals and by their chemical stability. The transition-metal dichalcogenides and their Li-intercalates are studied, with emphasis on the Li/su xTa/sub yTi/sub l-y/S2 series. The interactions between the Li atoms and the applicability of a lattice gas model to the problem of ordering of these atoms is discussed. A formulation is presented of the cluster-variation aproximation to the lattice gas problem. The single-site and the nearest-neighbor triangle basic clusters are considered as models for Li/sub x TiS2. Also a theory is presented for the effects of a random distribution of different species of host atoms, as in Ta/sub y/Ti/sub l-y/S2.

Renormalization group analysis of dipolar Heisenberg model on square lattice

NASA Astrophysics Data System (ADS)

Keleş, Ahmet; Zhao, Erhai

2018-06-01

We present a detailed functional renormalization group analysis of spin-1/2 dipolar Heisenberg model on square lattice. This model is similar to the well-known J1-J2 model and describes the pseudospin degrees of freedom of polar molecules confined in deep optical lattice with long-range anisotropic dipole-dipole interactions. Previous study of this model based on tensor network ansatz indicates a paramagnetic ground state for certain dipole tilting angles which can be tuned in experiments to control the exchange couplings. The tensor ansatz formulated on a small cluster unit cell is inadequate to describe the spiral order, and therefore the phase diagram at high azimuthal tilting angles remains undetermined. Here, we obtain the full phase diagram of the model from numerical pseudofermion functional renormalization group calculations. We show that an extended quantum paramagnetic phase is realized between the Néel and stripe/spiral phases. In this region, the spin susceptibility flows smoothly down to the lowest numerical renormalization group scales with no sign of divergence or breakdown of the flow, in sharp contrast to the flow towards the long-range-ordered phases. Our results provide further evidence that the dipolar Heisenberg model is a fertile ground for quantum spin liquids.

3D printing of drug-loaded gyroid lattices using selective laser sintering.

PubMed

Fina, Fabrizio; Goyanes, Alvaro; Madla, Christine M; Awad, Atheer; Trenfield, Sarah J; Kuek, Jia Min; Patel, Pavanesh; Gaisford, Simon; Basit, Abdul W

2018-05-19

Three-dimensional printing (3DP) is gaining momentum in the field of pharmaceuticals, offering innovative opportunities for medicine manufacture. Selective laser sintering (SLS) is a novel, high resolution and single-step printing technology that we have recently introduced to the pharmaceutical sciences. The aim of this work was to use SLS 3DP to fabricate printlets (3D printed tablets) with cylindrical, gyroid lattice and bi-layer structures having customisable release characteristics. Paracetamol-loaded constructs from four different pharmaceutical grade polymers including polyethylene oxide, Eudragit (L100-55 and RL) and ethyl cellulose, were created using SLS 3DP. The novel gyroid lattice structure was able to modulate the drug release from all four polymers. This work is the first to demonstrate the feasibility of using SLS to achieve customised drug release properties of several polymers, in a swift, cost-effective manner, avoiding the need to alter the formulation composition. By creating these constructs, it is therefore possible to modify drug release, which in practice, could enable the tailoring of drug performance to the patient simply by changing the 3D design. Copyright © 2018 Elsevier B.V. All rights reserved.

Unifying perspective: Solitary traveling waves as discrete breathers in Hamiltonian lattices and energy criteria for their stability

NASA Astrophysics Data System (ADS)

Cuevas-Maraver, Jesús; Kevrekidis, Panayotis G.; Vainchtein, Anna; Xu, Haitao

2017-09-01

In this work, we provide two complementary perspectives for the (spectral) stability of solitary traveling waves in Hamiltonian nonlinear dynamical lattices, of which the Fermi-Pasta-Ulam and the Toda lattice are prototypical examples. One is as an eigenvalue problem for a stationary solution in a cotraveling frame, while the other is as a periodic orbit modulo shifts. We connect the eigenvalues of the former with the Floquet multipliers of the latter and using this formulation derive an energy-based spectral stability criterion. It states that a sufficient (but not necessary) condition for a change in the wave stability occurs when the functional dependence of the energy (Hamiltonian) H of the model on the wave velocity c changes its monotonicity. Moreover, near the critical velocity where the change of stability occurs, we provide an explicit leading-order computation of the unstable eigenvalues, based on the second derivative of the Hamiltonian H''(c0) evaluated at the critical velocity c0. We corroborate this conclusion with a series of analytically and numerically tractable examples and discuss its parallels with a recent energy-based criterion for the stability of discrete breathers.

Effects of Solvents on Craze Initiation and Crack Propagation in Transparent Polymers

DTIC Science & Technology

1989-04-01

methyl methacrylate) ( PMMA ) materials, as well as several formulations of polycarbon- ate, show a range of critical strain measurements in crazing...propagation in transparent polymers is demonstrated by a dead weight loading apparatus and compact tension specimens based on ASTM E 399. Samples of PMMA ...environment. This includes the ability to be decontaminated. Polycarbonate (PC) and poly(methyl methacrylate) ( PMMA ) are known to craze while undfer

Simplified microprocessor design for VLSI control applications

NASA Technical Reports Server (NTRS)

Cameron, K.

1991-01-01

A design technique for microprocessors combining the simplicity of reduced instruction set computers (RISC's) with the richer instruction sets of complex instruction set computers (CISC's) is presented. They utilize the pipelined instruction decode and datapaths common to RISC's. Instruction invariant data processing sequences which transparently support complex addressing modes permit the formulation of simple control circuitry. Compact implementations are possible since neither complicated controllers nor large register sets are required.

Improvement of Tenofovir vaginal release from hydrophilic matrices through drug granulation with hydrophobic polymers.

PubMed

Notario-Pérez, Fernando; Martín-Illana, Araceli; Cazorla-Luna, Raúl; Ruiz-Caro, Roberto; Peña, Juan; Veiga, María-Dolores

2018-05-30

Sustained-release vaginal microbicides hold out great hope for the prevention of sexual transmission of HIV from men to women. Tenofovir (TFV) -an antiretroviral drug- sustained-release vaginal compacts combining two release control systems (by drug-loading granules with hydrophobic polymers and incorporating them in a hydrophilic matrix) are proposed in this work as a possible microbicide. The polymers used for the drug granules are Eudragit® RS (ERS), an acrylic derivative, and Zein, a maize protein. The hydrophilic matrix is composed of a mixture of hydroxypropylmethyl cellulose (HPMC) and chitosan (CH). The thermal, microscopic, spectrophotometric and X-ray diffraction analysis showed that the drug was not altered during the granulation process. Studies of TFV release, swelling and ex vivo mucoadhesion were subsequently performed on simulated vaginal fluid. The formulation whereby TFV is granulated using twice its weight in ERS, and then including these granules in a matrix in which the CH predominates over HPMC, allows the sustained release of TFV for 144 h, mucoadhesion to the vaginal mucosa for 150 h and a moderate swelling, making it the most suitable formulation of all those studied. These compacts would therefore offer women protection against the sexual acquisition of HIV. Copyright © 2018 Elsevier B.V. All rights reserved.

Analysis of Technology for Compact Coherent Lidar

NASA Technical Reports Server (NTRS)

Amzajerdian, Farzin

1997-01-01

In view of the recent advances in the area of solid state and semiconductor lasers has created new possibilities for the development of compact and reliable coherent lidars for a wide range of applications. These applications include: Automated Rendezvous and Capture, wind shear and clear air turbulence detection, aircraft wake vortex detection, and automobile collision avoidance. The work performed by the UAH personnel under this Delivery Order, concentrated on design and analyses of a compact coherent lidar system capable of measuring range and velocity of hard targets, and providing air mass velocity data. The following is the scope of this work. a. Investigate various laser sources and optical signal detection configurations in support of a compact and lightweight coherent laser radar to be developed for precision range and velocity measurements of hard and fuzzy targets. Through interaction with MSFC engineers, the most suitable laser source and signal detection technique that can provide a reliable compact and lightweight laser radar design will be selected. b. Analyze and specify the coherent laser radar system configuration and assist with its optical and electronic design efforts. Develop a system design including its optical layout design. Specify all optical components and provide the general requirements of the electronic subsystems including laser beam modulator and demodulator drivers, detector electronic interface, and the signal processor. c. Perform a thorough performance analysis to predict the system measurement range and accuracy. This analysis will utilize various coherent laser radar sensitivity formulations and different target models.

Design Challenges of a Rapid Cycling Synchrotron for Carbon/Proton Therapy

NASA Astrophysics Data System (ADS)

Cook, Nathan

2012-03-01

The growing interest in radiation therapy with protons and light ions has driven demand for new methods of ion acceleration and the delivery of ion beams. One exciting new platform for ion beam acceleration and delivery is the rapid cycling synchrotron. Operating at 15Hz, rapid cycling achieves faster treatment times by making beam extraction possible at any energy during the cycle. Moreover, risk to the patient is reduced by requiring fewer particles in the beam line at a given time, thus eliminating the need for passive filtering and reducing the consequences of a malfunction. Lastly, the ability to switch between carbon ion and proton beam therapy provides the machine with an unmatched flexibility. However, these features do stipulate challenges in accelerator design. Maintaining a compact lattice requires careful tuning of lattice functions, tight focusing combined function magnets, and fast injection and extraction systems. Providing the necessary acceleration over a short cycle time also necessitates a five-fold frequency swing for carbon ions, further burdening the design requirements of ferrite-driven radiofrequency cavities. We will consider these challenges as well as some solutions selected for our current design.

Coherent infrared radiation from the ALS generated via femtosecond laser modulation of the electron beam

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

Byrd, J.M.; Hao, Z.; Martin, M.C.

2004-07-01

Interaction of an electron beam with a femtosecond laser pulse co-propagating through a wiggler at the ALS produces large modulation of the electron energies within a short {approx}100 fs slice of the electron bunch. Propagating around the storage ring, this bunch develops a longitudinal density perturbation due to the dispersion of electron trajectories. The length of the perturbation evolves with a distance from the wiggler but is much shorter than the electron bunch length. This perturbation causes the electron bunch to emit short pulses of temporally and spatially coherent infrared light which are automatically synchronized to the modulating laser. Themore » intensity and spectra of the infrared light were measured in two storage ring locations for a nominal ALS lattice and for an experimental lattice with the higher momentum compaction factor. The onset of instability stimulated by laser e-beam interaction had been discovered. The infrared signal is now routinely used as a sensitive monitor for a fine tuning of the laser beam alignment during data accumulation in the experiments with femtosecond x-ray pulses.« less

Exactly solved models on planar graphs with vertices in {Z}^3

NASA Astrophysics Data System (ADS)

Kels, Andrew P.

2017-12-01

It is shown how exactly solved edge interaction models on the square lattice, may be extended onto more general planar graphs, with edges connecting a subset of next nearest neighbour vertices of {Z}3 . This is done by using local deformations of the square lattice, that arise through the use of the star-triangle relation. Similar to Baxter’s Z-invariance property, these local deformations leave the partition function invariant up to some simple factors coming from the star-triangle relation. The deformations used here extend the usual formulation of Z-invariance, by requiring the introduction of oriented rapidity lines which form directed closed paths in the rapidity graph of the model. The quasi-classical limit is also considered, in which case the deformations imply a classical Z-invariance property, as well as a related local closure relation, for the action functional of a system of classical discrete Laplace equations.

Heavy-Meson Spectrum Tests of the Oktay--Kronfeld Action

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

Bailey, Jon A.; Jang, Yong-Chull; Lee, Weonjong

2014-11-07

We present heavy-meson spectrum results obtained using the Oktay--Kronfeld (OK) action on MILC asqtad lattices. The OK action was designed to improve the heavy-quark action of the Fermilab formulation, such that heavy-quark discretization errors are reduced. The OK action includes dimension-6 and -7 operators necessary for tree-level matching to QCD through ordermore » $$\\mathrm{O}(\\Lambda^3/m_Q^3)$$ for heavy-light mesons and $$\\mathrm{O}(v^6)$$ for quarkonium, or, equivalently, through $$\\mathrm{O}(a^2)$$ with some $$\\mathrm{O}(a^3)$$ terms with Symanzik power counting. To assess the improvement, we extend previous numerical tests with heavy-meson masses by analyzing data generated on a finer ($$a \\approx 0.12\\;$$fm) lattice with the correct tadpole factors for the $$c_5$$ term in the action. We update the analyses of the inconsistency parameter and the hyperfine splittings for the rest and kinetic masses.« less

Single-cone finite-difference schemes for the (2+1)-dimensional Dirac equation in general electromagnetic textures

NASA Astrophysics Data System (ADS)

Pötz, Walter

2017-11-01

A single-cone finite-difference lattice scheme is developed for the (2+1)-dimensional Dirac equation in presence of general electromagnetic textures. The latter is represented on a (2+1)-dimensional staggered grid using a second-order-accurate finite difference scheme. A Peierls-Schwinger substitution to the wave function is used to introduce the electromagnetic (vector) potential into the Dirac equation. Thereby, the single-cone energy dispersion and gauge invariance are carried over from the continuum to the lattice formulation. Conservation laws and stability properties of the formal scheme are identified by comparison with the scheme for zero vector potential. The placement of magnetization terms is inferred from consistency with the one for the vector potential. Based on this formal scheme, several numerical schemes are proposed and tested. Elementary examples for single-fermion transport in the presence of in-plane magnetization are given, using material parameters typical for topological insulator surfaces.

Connected and leading disconnected hadronic light-by-light contribution to the muon anomalous magnetic moment with a physical pion mass

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

Blum, Thomas; Christ, Norman; Hayakawa, Masashi

We report a lattice QCD calculation of the hadronic light-by-light contribution to the muon anomalous magnetic moment at a physical pion mass. The calculation includes the connected diagrams and the leading, quark-line-disconnected diagrams. We incorporate algorithmic improvements developed in our previous work. The calculation was performed on the 48 3 × 96 ensemble generated with a physical pion mass and a 5.5 fm spatial extent by the RBC and UKQCD Collaborations using the chiral, domain wall fermion formulation. We find a HLbL μ = 5.35(1.35) × 10 –10, where the error is statistical only. The finite-volume and finite lattice-spacing errorsmore » could be quite large and are the subject of ongoing research. Finally, the omitted disconnected graphs, while expected to give a correction of order 10%, also need to be computed.« less

A Local-Realistic Model of Quantum Mechanics Based on a Discrete Spacetime

NASA Astrophysics Data System (ADS)

Sciarretta, Antonio

2018-01-01

This paper presents a realistic, stochastic, and local model that reproduces nonrelativistic quantum mechanics (QM) results without using its mathematical formulation. The proposed model only uses integer-valued quantities and operations on probabilities, in particular assuming a discrete spacetime under the form of a Euclidean lattice. Individual (spinless) particle trajectories are described as random walks. Transition probabilities are simple functions of a few quantities that are either randomly associated to the particles during their preparation, or stored in the lattice nodes they visit during the walk. QM predictions are retrieved as probability distributions of similarly-prepared ensembles of particles. The scenarios considered to assess the model comprise of free particle, constant external force, harmonic oscillator, particle in a box, the Delta potential, particle on a ring, particle on a sphere and include quantization of energy levels and angular momentum, as well as momentum entanglement.

How Inhomogeneous Site Percolation Works on Bethe Lattices: Theory and Application

NASA Astrophysics Data System (ADS)

Ren, Jingli; Zhang, Liying; Siegmund, Stefan

2016-03-01

Inhomogeneous percolation, for its closer relationship with real-life, can be more useful and reasonable than homogeneous percolation to illustrate the critical phenomena and dynamical behaviour of complex networks. However, due to its intricacy, the theoretical framework of inhomogeneous percolation is far from being complete and many challenging problems are still open. In this paper, we first investigate inhomogeneous site percolation on Bethe Lattices with two occupation probabilities, and then extend the result to percolation with m occupation probabilities. The critical behaviour of this inhomogeneous percolation is shown clearly by formulating the percolation probability with given occupation probability p, the critical occupation probability , and the average cluster size where p is subject to . Moreover, using the above theory, we discuss in detail the diffusion behaviour of an infectious disease (SARS) and present specific disease-control strategies in consideration of groups with different infection probabilities.

Sol-gel auto-combustion synthesis and properties of Co2Z-type hexagonal ferrite ultrafine powders

NASA Astrophysics Data System (ADS)

Liu, Junliang; Yang, Min; Wang, Shengyun; Lv, Jingqing; Li, Yuqing; Zhang, Ming

2018-05-01

Z-type hexagonal ferrite ultrafine powders with chemical formulations of (BaxSr1-x)3Co2Fe24O41 (x varied from 0.0 to 1.0) have been synthesized by a sol-gel auto-combustion technique. The average particle sizes of the synthesized powders ranged from 2 to 5 μm. The partial substitution of Ba2+ by Sr2+ led to the shrinkage of the crystal lattices and resulted in changes in the magnetic sub-lattices, which tailored the static and dynamic magnetic properties of the as-synthesized powders. As the substitution ratio of Ba2+ by Sr2+, the saturation magnetization of the synthesized powders almost consistently increased from 43.3 to 56.1 emu/g, while the real part of permeability approached to a relatively high value about 2.2 owing to the balance of the saturation magnetization and magnetic anisotropy field.

Application of microdynamics and lattice mechanics to problems in plastic flow and fracture. Final report, 1 April 1973--31 March 1978

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

Bilello, J C; Liu, J M

Progress in an investigation of the application of microdynamics and lattice mechanics to the problems in plastic flow and fracture is described. The research program consisted of both theoretical formulations and experimental measurements of a number of intrinsic material parameters in bcc metals and alloys including surface energy, phonon-dispersion curves for dislocated solids, dislocation-point defect interaction energy, slip initiation and microplastic flow behavior. The study has resulted in an improved understanding in the relationship among the experimentally determined fracture surface energy, the intrinsic cohesive energy between atomic planes, and the plastic deformation associated with the initial stages of crack propagation.more » The values of intrinsic surface energy of tungsten, molybdenum, niobium and niobium-molybdenum alloys, deduced from the measurements, serve as a starting point from which fracture toughness of these materials in engineering service may be intelligently discussed.« less

Connected and leading disconnected hadronic light-by-light contribution to the muon anomalous magnetic moment with a physical pion mass

DOE PAGES

Blum, Thomas; Christ, Norman; Hayakawa, Masashi; ...

2017-01-11

We report a lattice QCD calculation of the hadronic light-by-light contribution to the muon anomalous magnetic moment at a physical pion mass. The calculation includes the connected diagrams and the leading, quark-line-disconnected diagrams. We incorporate algorithmic improvements developed in our previous work. The calculation was performed on the 48 3 × 96 ensemble generated with a physical pion mass and a 5.5 fm spatial extent by the RBC and UKQCD Collaborations using the chiral, domain wall fermion formulation. We find a HLbL μ = 5.35(1.35) × 10 –10, where the error is statistical only. The finite-volume and finite lattice-spacing errorsmore » could be quite large and are the subject of ongoing research. Finally, the omitted disconnected graphs, while expected to give a correction of order 10%, also need to be computed.« less

In situ grain fracture mechanics during uniaxial compaction of granular solids

NASA Astrophysics Data System (ADS)

Hurley, R. C.; Lind, J.; Pagan, D. C.; Akin, M. C.; Herbold, E. B.

2018-03-01

Grain fracture and crushing are known to influence the macroscopic mechanical behavior of granular materials and be influenced by factors such as grain composition, morphology, and microstructure. In this paper, we investigate grain fracture and crushing by combining synchrotron x-ray computed tomography and three-dimensional x-ray diffraction to study two granular samples undergoing uniaxial compaction. Our measurements provide details of grain kinematics, contacts, average intra-granular stresses, inter-particle forces, and intra-grain crystal and fracture plane orientations. Our analyses elucidate the complex nature of fracture and crushing, showing that: (1) the average stress states of grains prior to fracture vary widely in their relation to global and local trends; (2) fractured grains experience inter-particle forces and stored energies that are statistically higher than intact grains prior to fracture; (3) fracture plane orientations are primarily controlled by average intra-granular stress and contact fabric rather than the orientation of the crystal lattice; (4) the creation of new surfaces during fracture accounts for a very small portion of the energy dissipated during compaction; (5) mixing brittle and ductile grain materials alters the grain-scale fracture response. The results highlight an application of combined x-ray measurements for non-destructive in situ analysis of granular solids and provide details about grain fracture that have important implications for theory and modeling.

Analysis of rotor noise using LES

NASA Astrophysics Data System (ADS)

Keller, Jacob; Kumar, Praveen; Mahesh, Krishnan

2017-11-01

The flow field of a five-bladed marine propeller operating at design condition, obtained using large eddy simulation (LES), is used to calculate far-field sound. Three acoustic formulations are used: a point force dipole model, Curle acoustic analogy, and Ffowcs-Williams and Hawkings acoustic analogy. Each formulation is derived from the Navier-Stokes equations and the effects of the underlying assumptions are examined. The acoustic surface for the Curle and Ffowcs-Williams and Hawkings acoustic analogies is chosen to be the propeller; the propeller is split into a collection of acoustically compact radial strips. The computed sound is analyzed and the physics of sound generation is inspected. Results including far-field sound spectra and directivity will be discussed. This work is supported by the Office of Naval Research.

Design of almost symmetric orthogonal wavelet filter bank via direct optimization.

PubMed

Murugesan, Selvaraaju; Tay, David B H

2012-05-01

It is a well-known fact that (compact-support) dyadic wavelets [based on the two channel filter banks (FBs)] cannot be simultaneously orthogonal and symmetric. Although orthogonal wavelets have the energy preservation property, biorthogonal wavelets are preferred in image processing applications because of their symmetric property. In this paper, a novel method is presented for the design of almost symmetric orthogonal wavelet FB. Orthogonality is structurally imposed by using the unnormalized lattice structure, and this leads to an objective function, which is relatively simple to optimize. The designed filters have good frequency response, flat group delay, almost symmetric filter coefficients, and symmetric wavelet function.

Doubled lattice Chern-Simons-Yang-Mills theories with discrete gauge group

NASA Astrophysics Data System (ADS)

Caspar, S.; Mesterházy, D.; Olesen, T. Z.; Vlasii, N. D.; Wiese, U.-J.

2016-11-01

We construct doubled lattice Chern-Simons-Yang-Mills theories with discrete gauge group G in the Hamiltonian formulation. Here, these theories are considered on a square spatial lattice and the fundamental degrees of freedom are defined on pairs of links from the direct lattice and its dual, respectively. This provides a natural lattice construction for topologically-massive gauge theories, which are invariant under parity and time-reversal symmetry. After defining the building blocks of the doubled theories, paying special attention to the realization of gauge transformations on quantum states, we examine the dynamics in the group space of a single cross, which is spanned by a single link and its dual. The dynamics is governed by the single-cross electric Hamiltonian and admits a simple quantum mechanical analogy to the problem of a charged particle moving on a discrete space affected by an abstract electromagnetic potential. Such a particle might accumulate a phase shift equivalent to an Aharonov-Bohm phase, which is manifested in the doubled theory in terms of a nontrivial ground-state degeneracy on a single cross. We discuss several examples of these doubled theories with different gauge groups including the cyclic group Z(k) ⊂ U(1) , the symmetric group S3 ⊂ O(2) , the binary dihedral (or quaternion) group D¯2 ⊂ SU(2) , and the finite group Δ(27) ⊂ SU(3) . In each case the spectrum of the single-cross electric Hamiltonian is determined exactly. We examine the nature of the low-lying excited states in the full Hilbert space, and emphasize the role of the center symmetry for the confinement of charges. Whether the investigated doubled models admit a non-Abelian topological state which allows for fault-tolerant quantum computation will be addressed in a future publication.

pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

PubMed

Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

2012-09-03

Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

Improvement of sticking in tablet compaction for tocopherol acetate.

PubMed

Sakata, Yukoh; Yamaguchi, Hiroyuki

2011-09-01

We have found that the addition of xylitol solution effectively improves the sticking observed in tablet compaction using a powder prescription including kneading mixtures comprising tocopherol acetate (TA)/Florite(®) RE (FLR) blends. The aim of the present study was to investigate the distribution states of TA and xylitol in kneaded mixtures comprising TA/FLR/xylitol blends and the particle states of these mixtures in order to derive an appropriate powder formulation for tablet compaction. Nitrogen gas adsorption analysis revealed that xylitol is distributed on the interparticle and intraparticle pores of FLR in the same manner as TA. Moreover, it was found that xylitol was distributed in an incomplete crystalline form because of its interaction with FLR particles in the kneaded mixtures comprising TA/FLR/xylitol blends. It was also observed that the surfaces of the particles of the kneaded mixtures comprising TA/FLR blends changed from rough to smooth because of kneading with xylitol. The occurrence of sticking can be prevented not only by the addition of xylitol but also by changing the particle states of TA/FLR/xylitol blends.

Optimized nonorthogonal transforms for image compression.

PubMed

Guleryuz, O G; Orchard, M T

1997-01-01

The transform coding of images is analyzed from a common standpoint in order to generate a framework for the design of optimal transforms. It is argued that all transform coders are alike in the way they manipulate the data structure formed by transform coefficients. A general energy compaction measure is proposed to generate optimized transforms with desirable characteristics particularly suited to the simple transform coding operation of scalar quantization and entropy coding. It is shown that the optimal linear decoder (inverse transform) must be an optimal linear estimator, independent of the structure of the transform generating the coefficients. A formulation that sequentially optimizes the transforms is presented, and design equations and algorithms for its computation provided. The properties of the resulting transform systems are investigated. In particular, it is shown that the resulting basis are nonorthogonal and complete, producing energy compaction optimized, decorrelated transform coefficients. Quantization issues related to nonorthogonal expansion coefficients are addressed with a simple, efficient algorithm. Two implementations are discussed, and image coding examples are given. It is shown that the proposed design framework results in systems with superior energy compaction properties and excellent coding results.

Quantum mean-field approximation for lattice quantum models: Truncating quantum correlations and retaining classical ones

NASA Astrophysics Data System (ADS)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

The mean-field approximation is at the heart of our understanding of complex systems, despite its fundamental limitation of completely neglecting correlations between the elementary constituents. In a recent work [Phys. Rev. Lett. 117, 130401 (2016), 10.1103/PhysRevLett.117.130401], we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part and a quantum part and that quantum correlations are generically found to decay exponentially at finite temperature, with a characteristic, temperature-dependent quantum coherence length. The existence of these two different forms of correlation in quantum many-body systems suggests the possibility of formulating an approximation, which affects quantum correlations only, without preventing the correct description of classical fluctuations at all length scales. Focusing on lattice boson and quantum Ising models, we make use of the path-integral formulation of quantum statistical mechanics to introduce such an approximation, which we dub quantum mean-field (QMF) approach, and which can be readily generalized to a cluster form (cluster QMF or cQMF). The cQMF approximation reduces to cluster mean-field theory at T =0 , while at any finite temperature it produces a family of systematically improved, semi-classical approximations to the quantum statistical mechanics of the lattice theory at hand. Contrary to standard MF approximations, the correct nature of thermal critical phenomena is captured by any cluster size. In the two exemplary cases of the two-dimensional quantum Ising model and of two-dimensional quantum rotors, we study systematically the convergence of the cQMF approximation towards the exact result, and show that the convergence is typically linear or sublinear in the boundary-to-bulk ratio of the clusters as T →0 , while it becomes faster than linear as T grows. These results pave the way towards the development of semiclassical numerical approaches based on an approximate, yet systematically improved account of quantum correlations.

Shaping up the protein folding funnel by local interaction: lesson from a structure prediction study.

PubMed

Chikenji, George; Fujitsuka, Yoshimi; Takada, Shoji

2006-02-28

Predicting protein tertiary structure by folding-like simulations is one of the most stringent tests of how much we understand the principle of protein folding. Currently, the most successful method for folding-based structure prediction is the fragment assembly (FA) method. Here, we address why the FA method is so successful and its lesson for the folding problem. To do so, using the FA method, we designed a structure prediction test of "chimera proteins." In the chimera proteins, local structural preference is specific to the target sequences, whereas nonlocal interactions are only sequence-independent compaction forces. We find that these chimera proteins can find the native folds of the intact sequences with high probability indicating dominant roles of the local interactions. We further explore roles of local structural preference by exact calculation of the HP lattice model of proteins. From these results, we suggest principles of protein folding: For small proteins, compact structures that are fully compatible with local structural preference are few, one of which is the native fold. These local biases shape up the funnel-like energy landscape.

Shaping up the protein folding funnel by local interaction: Lesson from a structure prediction study

PubMed Central

Chikenji, George; Fujitsuka, Yoshimi; Takada, Shoji

2006-01-01

Predicting protein tertiary structure by folding-like simulations is one of the most stringent tests of how much we understand the principle of protein folding. Currently, the most successful method for folding-based structure prediction is the fragment assembly (FA) method. Here, we address why the FA method is so successful and its lesson for the folding problem. To do so, using the FA method, we designed a structure prediction test of “chimera proteins.” In the chimera proteins, local structural preference is specific to the target sequences, whereas nonlocal interactions are only sequence-independent compaction forces. We find that these chimera proteins can find the native folds of the intact sequences with high probability indicating dominant roles of the local interactions. We further explore roles of local structural preference by exact calculation of the HP lattice model of proteins. From these results, we suggest principles of protein folding: For small proteins, compact structures that are fully compatible with local structural preference are few, one of which is the native fold. These local biases shape up the funnel-like energy landscape. PMID:16488978

Light propagation through black-hole lattices

NASA Astrophysics Data System (ADS)

Bentivegna, Eloisa; Korzyński, Mikołaj; Hinder, Ian; Gerlicher, Daniel

2017-03-01

The apparent properties of distant objects encode information about the way the light they emit propagates to an observer, and therefore about the curvature of the underlying spacetime. Measuring the relationship between the redshift z and the luminosity distance DL of a standard candle, for example, yields information on the Universe's matter content. In practice, however, in order to decode this information the observer needs to make an assumption about the functional form of the DL(z) relation; in other words, a cosmological model needs to be assumed. In this work, we use numerical-relativity simulations, equipped with a new ray-tracing module, to numerically obtain this relation for a few black-hole-lattice cosmologies and compare it to the well-known Friedmann-Lema{ȋtre-Robertson-Walker case, as well as to other relevant cosmologies and to the Empty-Beam Approximation. We find that the latter provides the best estimate of the luminosity distance and formulate a simple argument to account for this agreement. We also find that a Friedmann-Lema{ȋtre-Robertson-Walker model can reproduce this observable exactly, as long as a time-dependent cosmological constant is included in the fit. Finally, the dependence of these results on the lattice mass-to-spacing ratio μ is discussed: we discover that, unlike the expansion rate, the DL(z) relation in a black-hole lattice does not tend to that measured in the corresponding continuum spacetime as 0μ → .

Rigorous symmetry adaptation of multiorbital rotationally invariant slave-boson theory with application to Hund's rules physics

NASA Astrophysics Data System (ADS)

Piefke, Christoph; Lechermann, Frank

2018-03-01

The theory of correlated electron systems on a lattice proves notoriously complicated because of the exponential growth of Hilbert space. Mean-field approaches provide valuable insight when the self-energy has a dominant local structure. Additionally, the extraction of effective low-energy theories from the generalized many-body representation is highly desirable. In this respect, the rotational-invariant slave-boson (RISB) approach in its mean-field formulation enables versatile access to correlated lattice problems. However, in its original form, due to numerical complexity, the RISB approach is limited to about three correlated orbitals per lattice site. We thus present a thorough symmetry-adapted advancement of RISB theory, suited to efficiently deal with multiorbital Hubbard Hamiltonians for complete atomic-shell manifolds. It is utilized to study the intriguing problem of Hund's physics for three- and especially five-orbital manifolds on the correlated lattice, including crystal-field terms as well as spin-orbit interaction. The well-known Janus-face phenomenology, i.e., strengthening of correlations at smaller-to-intermediate Hubbard U accompanied by a shift of the Mott transition to a larger U value, has a stronger signature and more involved multiplet resolution for five-orbital problems. Spin-orbit interaction effectively reduces the critical local interaction strength and weakens the Janus-face behavior. Application to the realistic challenge of Fe chalcogenides underlines the subtle interplay of the orbital degrees of freedom in these materials.

Light propagation through black-hole lattices

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

Bentivegna, Eloisa; Korzyński, Mikołaj; Hinder, Ian

The apparent properties of distant objects encode information about the way the light they emit propagates to an observer, and therefore about the curvature of the underlying spacetime. Measuring the relationship between the redshift z and the luminosity distance D {sub L} of a standard candle, for example, yields information on the Universe's matter content. In practice, however, in order to decode this information the observer needs to make an assumption about the functional form of the D {sub L}( z ) relation; in other words, a cosmological model needs to be assumed. In this work, we use numerical-relativity simulations,more » equipped with a new ray-tracing module, to numerically obtain this relation for a few black-hole-lattice cosmologies and compare it to the well-known Friedmann-Lema(ȋtre-Robertson-Walker case, as well as to other relevant cosmologies and to the Empty-Beam Approximation. We find that the latter provides the best estimate of the luminosity distance and formulate a simple argument to account for this agreement. We also find that a Friedmann-Lema(ȋtre-Robertson-Walker model can reproduce this observable exactly, as long as a time-dependent cosmological constant is included in the fit. Finally, the dependence of these results on the lattice mass-to-spacing ratio μ is discussed: we discover that, unlike the expansion rate, the D {sub L}( z ) relation in a black-hole lattice does not tend to that measured in the corresponding continuum spacetime as 0μ → .« less

Modeling of Bulk Evaporation and Condensation

NASA Technical Reports Server (NTRS)

Anghaie, S.; Ding, Z.

1996-01-01

This report describes the modeling and mathematical formulation of the bulk evaporation and condensation involved in liquid-vapor phase change processes. An internal energy formulation, for these phase change processes that occur under the constraint of constant volume, was studied. Compared to the enthalpy formulation, the internal energy formulation has a more concise and compact form. The velocity and time scales of the interface movement were obtained through scaling analysis and verified by performing detailed numerical experiments. The convection effect induced by the density change was analyzed and found to be negligible compared to the conduction effect. Two iterative methods for updating the value of the vapor phase fraction, the energy based (E-based) and temperature based (T-based) methods, were investigated. Numerical experiments revealed that for the evaporation and condensation problems the E-based method is superior to the T-based method in terms of computational efficiency. The internal energy formulation and the E-based method were used to compute the bulk evaporation and condensation processes under different conditions. The evolution of the phase change processes was investigated. This work provided a basis for the modeling of thermal performance of multi-phase nuclear fuel elements under variable gravity conditions, in which the buoyancy convection due to gravity effects and internal heating are involved.

A Digital Program for Calculating the Interaction Between Flexible Structures, Unsteady Aerodynamics and Active Controls

NASA Technical Reports Server (NTRS)

Peele, E. L.; Adams, W. M., Jr.

1979-01-01

A computer program, ISAC, is described which calculates the stability and response of a flexible airplane equipped with active controls. The equations of motion relative to a fixed inertial coordinate system are formulated in terms of the airplane's rigid body motion and its unrestrained normal vibration modes. Unsteady aerodynamic forces are derived from a doublet lattice lifting surface theory. The theoretical basis for the program is briefly explained together with a description of input data and output results.

[Microcrystalline cellulose and their flow -- morphological properties modifications as an effective excpients in tablet formulation technology containing lattice established API and also dry plant extract].

PubMed

Zgoda, Marian Mikołaj; Nachajski, Michał Jakub; Kołodziejczyk, Michał Krzysztof

2009-01-01

The production technology of powder cellulose (Arbocel) and microcrystaline cellulose (Vivapur) and their application in the composition of direct compression tablet mass was provided. The function of silicified microcrystaline cellulose type Prosolv in the direct compression process of dry plant extract was discussed. An analysis of the chemical structure of cellulose fiber (Vitacel) enabled determining its properties and applications in the manufacture of diet supplement, pharmaceutical and food products.

Directed polymers versus directed percolation

NASA Astrophysics Data System (ADS)

Halpin-Healy, Timothy

1998-10-01

Universality plays a central role within the rubric of modern statistical mechanics, wherein an insightful continuum formulation rises above irrelevant microscopic details, capturing essential scaling behaviors. Nevertheless, occasions do arise where the lattice or another discrete aspect can constitute a formidable legacy. Directed polymers in random media, along with its close sibling, directed percolation, provide an intriguing case in point. Indeed, the deep blood relation between these two models may have sabotaged past efforts to fully characterize the Kardar-Parisi-Zhang universality class, to which the directed polymer belongs.

Statistical Mechanics of Combinatorial Auctions

NASA Astrophysics Data System (ADS)

Galla, Tobias; Leone, Michele; Marsili, Matteo; Sellitto, Mauro; Weigt, Martin; Zecchina, Riccardo

2006-09-01

Combinatorial auctions are formulated as frustrated lattice gases on sparse random graphs, allowing the determination of the optimal revenue by methods of statistical physics. Transitions between computationally easy and hard regimes are found and interpreted in terms of the geometric structure of the space of solutions. We introduce an iterative algorithm to solve intermediate and large instances, and discuss competing states of optimal revenue and maximal number of satisfied bidders. The algorithm can be generalized to the hard phase and to more sophisticated auction protocols.

Nucleon matrix elements with Nf=2+1+1 maximally twisted fermions

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

Simon Dinter, Constantia Alexandrou, Martha Constantinou, Vincent Drach, Karl Jansen, Dru Renner

2010-06-01

We present the first lattice calculation of nucleon matrix elements using four dynamical flavors. We use the Nf=2+1+1 maximally twisted mass formulation. The renormalization is performed non-perturbatively in the RI'-MOM scheme and results are given for the vector and axial vector operators with up to one-derivative. Our calculation of the average momentum of the unpolarized non-singlet parton distribution is presented and compared to our previous results obtained from the Nf=2 case.

Stress formulation in the all-electron full-potential linearized augmented plane wave method

NASA Astrophysics Data System (ADS)

Nagasako, Naoyuki; Oguchi, Tamio

2012-02-01

Stress formulation in the linearlized augmented plane wave (LAPW) method has been proposed in 2002 [1] as an extension of the force formulation in the LAPW method [2]. However, pressure calculations only for Al and Si were reported in Ref.[1] and even now stress calculations have not yet been fully established in the LAPW method. In order to make it possible to efficiently relax lattice shape and atomic positions simultaneously and to precisely evaluate the elastic constants in the LAPW method, we reformulate stress formula in the LAPW method with the Soler-Williams representation [3]. Validity of the formulation is tested by comparing the pressure obtained as the trace of stress tensor with that estimated from total energies for a wide variety of material systems. Results show that pressure is estimated within the accuracy of less than 0.1 GPa. Calculations of the shear elastic constant show that the shear components of the stress tensor are also precisely computed with the present formulation [4].[4pt] [1] T. Thonhauser et al., Solid State Commun. 124, 275 (2002).[0pt] [2] R. Yu et al., Phys. Rev. B 43, 6411 (1991).[0pt] [3] J. M. Soler and A. R. Williams, Phys. Rev. B 40, 1560 (1989).[0pt] [4] N. Nagasako and T. Oguchi, J. Phys. Soc. Jpn. 80, 024701 (2011).

A new experimental design method to optimize formulations focusing on a lubricant for hydrophilic matrix tablets.

PubMed

Choi, Du Hyung; Shin, Sangmun; Khoa Viet Truong, Nguyen; Jeong, Seong Hoon

2012-09-01

A robust experimental design method was developed with the well-established response surface methodology and time series modeling to facilitate the formulation development process with magnesium stearate incorporated into hydrophilic matrix tablets. Two directional analyses and a time-oriented model were utilized to optimize the experimental responses. Evaluations of tablet gelation and drug release were conducted with two factors x₁ and x₂: one was a formulation factor (the amount of magnesium stearate) and the other was a processing factor (mixing time), respectively. Moreover, different batch sizes (100 and 500 tablet batches) were also evaluated to investigate an effect of batch size. The selected input control factors were arranged in a mixture simplex lattice design with 13 experimental runs. The obtained optimal settings of magnesium stearate for gelation were 0.46 g, 2.76 min (mixing time) for a 100 tablet batch and 1.54 g, 6.51 min for a 500 tablet batch. The optimal settings for drug release were 0.33 g, 7.99 min for a 100 tablet batch and 1.54 g, 6.51 min for a 500 tablet batch. The exact ratio and mixing time of magnesium stearate could be formulated according to the resulting hydrophilic matrix tablet properties. The newly designed experimental method provided very useful information for characterizing significant factors and hence to obtain optimum formulations allowing for a systematic and reliable experimental design method.

Compactly supported Wannier functions and algebraic K -theory

NASA Astrophysics Data System (ADS)

Read, N.

2017-03-01

In a tight-binding lattice model with n orbitals (single-particle states) per site, Wannier functions are n -component vector functions of position that fall off rapidly away from some location, and such that a set of them in some sense span all states in a given energy band or set of bands; compactly supported Wannier functions are such functions that vanish outside a bounded region. They arise not only in band theory, but also in connection with tensor-network states for noninteracting fermion systems, and for flat-band Hamiltonians with strictly short-range hopping matrix elements. In earlier work, it was proved that for general complex band structures (vector bundles) or general complex Hamiltonians—that is, class A in the tenfold classification of Hamiltonians and band structures—a set of compactly supported Wannier functions can span the vector bundle only if the bundle is topologically trivial, in any dimension d of space, even when use of an overcomplete set of such functions is permitted. This implied that, for a free-fermion tensor network state with a nontrivial bundle in class A, any strictly short-range parent Hamiltonian must be gapless. Here, this result is extended to all ten symmetry classes of band structures without additional crystallographic symmetries, with the result that in general the nontrivial bundles that can arise from compactly supported Wannier-type functions are those that may possess, in each of d directions, the nontrivial winding that can occur in the same symmetry class in one dimension, but nothing else. The results are obtained from a very natural usage of algebraic K -theory, based on a ring of polynomials in e±i kx,e±i ky,..., which occur as entries in the Fourier-transformed Wannier functions.

Time-asymmetric photovoltaics.

PubMed

Green, Martin A

2012-11-14

Limits upon photovoltaic energy conversion efficiency generally are formulated using the detailed balance approach of Shockley and Queisser. One key underlying assumption is invariance upon time reversal, underpinning detailed balance itself. Recent proposals for compact, layered, time-asymmetrical, magneto-optical devices make their routine implementation likely. It is shown that such time-asymmetry can alter the relationship between solar cell emission and absorption assumed in the Shockley-Queisser approach, allowing generally accepted photovoltaic performance limits to be exceeded.

An analogue of Weyl’s law for quantized irreducible generalized flag manifolds

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

Matassa, Marco, E-mail: marco.matassa@gmail.com, E-mail: mmatassa@math.uio.no

2015-09-15

We prove an analogue of Weyl’s law for quantized irreducible generalized flag manifolds. This is formulated in terms of a zeta function which, similarly to the classical setting, satisfies the following two properties: as a functional on the quantized algebra it is proportional to the Haar state and its first singularity coincides with the classical dimension. The relevant formulas are given for the more general case of compact quantum groups.

Compact, Isolating Elastomeric Suspension for Vehicle Acoustic Vector Sensor

DTIC Science & Technology

2007-09-30

well as underwater acoustics. His Master’s thesis, funded by NUSC, was a study of near-body acoustic signal behavior entitled “Some Characteristics of ...in non-polymer based composites, including cermets . He has formulated a very wide range of materials for an equally wide range of applications, and...with a moving vehicle of an instrument responsive to particle accelerations in the surrounding medium. The overall goal of this project is to develop

Explicit and implicit compact high-resolution shock-capturing methods for multidimensional Euler equations 1: Formulation

NASA Technical Reports Server (NTRS)

Yee, H. C.

1995-01-01

Two classes of explicit compact high-resolution shock-capturing methods for the multidimensional compressible Euler equations for fluid dynamics are constructed. Some of these schemes can be fourth-order accurate away from discontinuities. For the semi-discrete case their shock-capturing properties are of the total variation diminishing (TVD), total variation bounded (TVB), total variation diminishing in the mean (TVDM), essentially nonoscillatory (ENO), or positive type of scheme for 1-D scalar hyperbolic conservation laws and are positive schemes in more than one dimension. These fourth-order schemes require the same grid stencil as their second-order non-compact cousins. One class does not require the standard matrix inversion or a special numerical boundary condition treatment associated with typical compact schemes. Due to the construction, these schemes can be viewed as approximations to genuinely multidimensional schemes in the sense that they might produce less distortion in spherical type shocks and are more accurate in vortex type flows than schemes based purely on one-dimensional extensions. However, one class has a more desirable high-resolution shock-capturing property and a smaller operation count in 3-D than the other class. The extension of these schemes to coupled nonlinear systems can be accomplished using the Roe approximate Riemann solver, the generalized Steger and Warming flux-vector splitting or the van Leer type flux-vector splitting. Modification to existing high-resolution second- or third-order non-compact shock-capturing computer codes is minimal. High-resolution shock-capturing properties can also be achieved via a variant of the second-order Lax-Friedrichs numerical flux without the use of Riemann solvers for coupled nonlinear systems with comparable operations count to their classical shock-capturing counterparts. The simplest extension to viscous flows can be achieved by using the standard fourth-order compact or non-compact formula for the viscous terms.

One-loop perturbative coupling of A and A⊙ through the chiral overlap operator

NASA Astrophysics Data System (ADS)

Makino, Hiroki; Morikawa, Okuto; Suzuki, Hiroshi

2017-06-01

We study the one-loop effective action defined by the chiral overlap operator in the four-dimensional lattice formulation of chiral gauge theories by Grabowska and Kaplan. In the tree-level continuum limit, the left-handed component of the fermion is coupled only to the original gauge field A, while the right-handed one is coupled only to A_\\star, which is given by the gradient flow of A with infinite flow time. In this paper, we show that the continuum limit of the one-loop effective action contains local interaction terms between A and A_\\star, which do not generally vanish even if the gauge representation of the fermion is anomaly free. We argue that the presence of such interaction terms can be regarded as undesired gauge symmetry-breaking effects in the formulation.

A Cosserat crystal plasticity and phase field theory for grain boundary migration

NASA Astrophysics Data System (ADS)

Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

2018-06-01

The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

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.

Exploration of the relationship between topology and designability of conformations

NASA Astrophysics Data System (ADS)

Leelananda, Sumudu P.; Towfic, Fadi; Jernigan, Robert L.; Kloczkowski, Andrzej

2011-06-01

Protein structures are evolutionarily more conserved than sequences, and sequences with very low sequence identity frequently share the same fold. This leads to the concept of protein designability. Some folds are more designable and lots of sequences can assume that fold. Elucidating the relationship between protein sequence and the three-dimensional (3D) structure that the sequence folds into is an important problem in computational structural biology. Lattice models have been utilized in numerous studies to model protein folds and predict the designability of certain folds. In this study, all possible compact conformations within a set of two-dimensional and 3D lattice spaces are explored. Complementary interaction graphs are then generated for each conformation and are described using a set of graph features. The full HP sequence space for each lattice model is generated and contact energies are calculated by threading each sequence onto all the possible conformations. Unique conformation giving minimum energy is identified for each sequence and the number of sequences folding to each conformation (designability) is obtained. Machine learning algorithms are used to predict the designability of each conformation. We find that the highly designable structures can be distinguished from other non-designable conformations based on certain graphical geometric features of the interactions. This finding confirms the fact that the topology of a conformation is an important determinant of the extent of its designability and suggests that the interactions themselves are important for determining the designability.

Compact modeling of total ionizing dose and aging effects in MOS technologies

DOE PAGES

Esqueda, Ivan S.; Barnaby, Hugh J.; King, Michael Patrick

2015-06-18

This paper presents a physics-based compact modeling approach that incorporates the impact of total ionizing dose (TID) and stress-induced defects into simulations of metal-oxide-semiconductor (MOS) devices and integrated circuits (ICs). This approach utilizes calculations of surface potential (ψs) to capture the charge contribution from oxide trapped charge and interface traps and to describe their impact on MOS electrostatics and device operating characteristics as a function of ionizing radiation exposure and aging effects. The modeling approach is demonstrated for bulk and silicon-on-insulator (SOI) MOS device. The formulation is verified using TCAD simulations and through the comparison of model calculations and experimentalmore » I-V characteristics from irradiated devices. The presented approach is suitable for modeling TID and aging effects in advanced MOS devices and ICs.« less

Broad Redshifted Line as a Signature of Outflow

NASA Astrophysics Data System (ADS)

Titarchuk, Lev; Kazanas, Demos; Becker, Peter A.

2003-11-01

We formulate and solve the diffusion problem of line photon propagation in a bulk outflow from a compact object (black hole or neutron star) using a generic assumption regarding the distribution of line photons within the outflow. Thomson scattering of the line photons within the expanding flow leads to a decrease of their energy which is of first order in v/c, where v is the outflow velocity and c is the speed of light. We demonstrate that the emergent line profile is closely related to the time distribution of photons diffusing through the flow (the light curve) and consists of a broad redshifted feature. We analyzed the line profiles for the general case of outflow density distribution. We emphasize that the redshifted lines are intrinsic properties of the powerful outflow that are supposed to be in many compact objects.

Broad Red-Shifted Lines as a Signature of Outflow

NASA Astrophysics Data System (ADS)

Kazanas, Demosthenes; Titarchuk, Lev; Becker, Peter A.

2004-07-01

We formulate and solve the diffusion problem of line photon propagation in a bulk outflow from a compact object (black hole or neutron star) using a generic assumption regarding the distribution of line photons within the outflow. Thomson scattering of the line photons within the expanding flow leads to a decrease of their energy which is of first order in v/c, where v is the outflow velocity and c the speed of light. We demonstrate that the emergent line profile is closely related to the time distribution of photons diffusing through the flow (the light curve) and consists of a broad redshifted feature. We analyzed the line profiles for the general case of outflow density distribution. We emphasize that the redshifted lines are intrinsic properties of the powerful outflow that are supposed to be in many compact objects.

Broad Red-Shifted Lines as a Signature of Outflows

NASA Astrophysics Data System (ADS)

Titarchuck, Lev; Kazanas, Demos; Becker, Peter A.

2006-02-01

We formulate and solve the diffusion problem of line photon propagation in a bulk outflow from a compact object (black hole or neutron star) using a generic assumption regarding the distribution of line photons within the outflow. Thomson scattering of the line photons within the expanding flow leads to a decrease of their energy which is of first order in υ/c, where υ the outflow velocity and c is the speed of light. We demonstrate that the emergent line profile is closely related to the time distribution of photons diffusing through the flow (the light curve) and consists of a broad redshifted feature. We analyzed the line profiles for the general case of outflow density distribution. We emphasize that the redshifted lines are intrinsic properties of the powerful outflow that are supposed to be in many compact objects.

Experimental deformation in sandstone, carbonates and quartz aggregate

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

Cheung, Cecilia See Nga

2015-05-01

The first part of my thesis is mainly focused on the effect of grain size distribution on compaction localization in porous sandstone. To identify the microstructural parameters that influence compaction band formation, I conducted a systematic study of mechanical deformation, failure mode and microstructural evolution in Bleurswiller and Boise sandstones, of similar porosity (~25%) and mineralogy but different sorting. Discrete compaction bands were observed to develop over a wide range of pressure in the Bleurswiller sandstone that has a relatively uniform grain size distribution. In contrast, compaction localization was not observed in the poorly sorted Boise sandstone. My results demonstratemore » that grain size distribution exerts important influence on compaction band development, in agreement with recently published data from Valley of Fire and Buckskin Gulch, as well as numerical studies. The second part aimed to improve current knowledge on inelastic behavior, failure mode and brittle-ductile transition in another sedimentary rock, porous carbonates. A micritic Tavel (porosity of ~13%) and an allochemical Indiana (~18%) limestones were deformed under compaction in wet and dry conditions. At lower confining pressures, shear localization occurred in brittle faulting regime. Through transitional regime, the deformation switched to cataclastic flow regime at higher confining pressure. Specifically in the cataclastic regime, the (dry and wet) Tavel and dry Indiana failed by distributed cataclastic flow, while in contrast, wet Indiana failed as compaction localization. My results demonstrate that different failure modes and mechanical behaviors under different deformation regimes and water saturation are fundamental prior to any geophysical application in porous carbonates. The third part aimed to focus on investigating compaction on quartz aggregate starting at low (MPa) using X-ray diffraction. We report the diffraction peak evolution of quartz with increasing pressures. Through evaluating the unit cell lattice parameters and the volume of the quartz sample, macroscopic stress and strain were resolved. Moreover, we observed quartz peak broadened asymmetrically at low pressure, such extent is more prominent in axial than in radial direction. Our evaluation on peak [101] (highest intensity among peaks) demonstrated that full width at half maximum can be a good proxy for microscopic stress distribution. We observed deviations in the pressurevolume curves at P = ~0.4 GPa and speculated that it was the point of which onset of grain crushing and pore collapse occur in quartz. This is on the same order of which onset of grain crushing (commonly known as P*) is observed in sandstones in the rock mechanics literature. This demonstrated that there is potential in estimating grain crushing and pore collapse pressure with our technique.« less

Uncertainty quantification of overpressure buildup through inverse modeling of compaction processes in sedimentary basins

NASA Astrophysics Data System (ADS)

Colombo, Ivo; Porta, Giovanni M.; Ruffo, Paolo; Guadagnini, Alberto

2017-03-01

This study illustrates a procedure conducive to a preliminary risk analysis of overpressure development in sedimentary basins characterized by alternating depositional events of sandstone and shale layers. The approach rests on two key elements: (1) forward modeling of fluid flow and compaction, and (2) application of a model-complexity reduction technique based on a generalized polynomial chaos expansion (gPCE). The forward model considers a one-dimensional vertical compaction processes. The gPCE model is then used in an inverse modeling context to obtain efficient model parameter estimation and uncertainty quantification. The methodology is applied to two field settings considered in previous literature works, i.e. the Venture Field (Scotian Shelf, Canada) and the Navarin Basin (Bering Sea, Alaska, USA), relying on available porosity and pressure information for model calibration. It is found that the best result is obtained when porosity and pressure data are considered jointly in the model calibration procedure. Uncertainty propagation from unknown input parameters to model outputs, such as pore pressure vertical distribution, is investigated and quantified. This modeling strategy enables one to quantify the relative importance of key phenomena governing the feedback between sediment compaction and fluid flow processes and driving the buildup of fluid overpressure in stratified sedimentary basins characterized by the presence of low-permeability layers. The results here illustrated (1) allow for diagnosis of the critical role played by the parameters of quantitative formulations linking porosity and permeability in compacted shales and (2) provide an explicit and detailed quantification of the effects of their uncertainty in field settings.

An evaluation of three-dimensional modeling of compaction cycles by analyzing the densification behavior of binary and ternary mixtures.

PubMed

Picker, K M; Bikane, F

2001-08-01

The aim of the study is to use the 3D modeling technique of compaction cycles for analysis of binary and ternary mixtures. Three materials with very different deformation and densification characteristics [cellulose acetate (CAC), dicalcium phosphate dihydrate (EM) and theophylline monohydrate (TM)] have been tableted at graded maximum relative densities (rhorel, max) on an eccentric tableting machine. Following that, graded binary mixtures from CAC and EM have been compacted. Finally, the same ratios of CAC and EM have been tableted in a ternary mixture with 20 vol% TM. All compaction cycles have been analyzed by using different data analysis methods. Three-dimensional modeling, conventional determination of the slope of the Heckel function, determination of the elastic recovery during decompression, and calculations according to the pressure-time function were the methods of choice. The results show that the 3D model technique is able to gain the information in one step instead of three different approaches, which is an advantage for formulation development. The results show that this model enables one to better distinguish the compaction properties of mixtures and the interaction of the components in the tablet than 2D models. Furthermore, the information by 3D modeling is more precise since in the slope K of the Heckel-plot (in die) elasticity is included, and in the parameters of the pressure-time function beta and gamma plastic deformation due to pressure is included. The influence of time and pressure on the displacement can now be differentiated.

Predicting the tensile strength of compacted multi-component mixtures of pharmaceutical powders.

PubMed

Wu, Chuan-Yu; Best, Serena M; Bentham, A Craig; Hancock, Bruno C; Bonfield, William

2006-08-01

Pharmaceutical tablets are generally produced by compacting a mixture of several ingredients, including active drugs and excipients. It is of practical importance if the properties of such tablets can be predicted on the basis of the ones for constituent components. The purpose of this work is to develop a theoretical model which can predict the tensile strength of compacted multi-component pharmaceutical mixtures. The model was derived on the basis of the Ryshkewitch-Duckworth equation that was originally proposed for porous materials. The required input parameters for the model are the relative density or solid fraction (ratio of the volume of solid materials to the total volume of the tablets) of the multi-component tablets and parameters associated with the constituent single-component powders, which are readily accessible. The tensile strength of tablets made of various powder blends at different relative density was also measured using diametrical compression. It has been shown that the tensile strength of the multi-component powder compacts is primarily a function of the solid fraction. Excellent agreement between prediction and experimental data for tablets of binary, ternary and four-component blends of some widely used pharmaceutical excipients was obtained. It has been demonstrated that the proposed model can well predict the tensile strength of multi-component pharmaceutical tablets. Thus, the model will be a useful design tool for formulation engineers in the pharmaceutical industry.

Reformulation and solution of the master equation for multiple-well chemical reactions.

PubMed

Georgievskii, Yuri; Miller, James A; Burke, Michael P; Klippenstein, Stephen J

2013-11-21

We consider an alternative formulation of the master equation for complex-forming chemical reactions with multiple wells and bimolecular products. Within this formulation the dynamical phase space consists of only the microscopic populations of the various isomers making up the reactive complex, while the bimolecular reactants and products are treated equally as sources and sinks. This reformulation yields compact expressions for the phenomenological rate coefficients describing all chemical processes, i.e., internal isomerization reactions, bimolecular-to-bimolecular reactions, isomer-to-bimolecular reactions, and bimolecular-to-isomer reactions. The applicability of the detailed balance condition is discussed and confirmed. We also consider the situation where some of the chemical eigenvalues approach the energy relaxation time scale and show how to modify the phenomenological rate coefficients so that they retain their validity.

Anionic pH-Sensitive Lipoplexes.

PubMed

Mignet, Nathalie; Scherman, Daniel

2017-01-01

To provide long circulating nanoparticles able to carry a gene to tumors, we have designed anionic pegylated lipoplexes which are pH sensitive. Anionic pegylated lipoplexes have been prepared from the combined formulation of cationic lipoplexes and pegylated anionic liposomes. The neutralization of the particle surface charge as a function of the pH was monitored by light scattering in order to determine the ratio between anionic and cationic lipids that would give pH sensitive complexes. This ratio has been optimized to form particles sensitive to pH change in the range 5.5-6.5. Compaction of DNA into these newly formed anionic complexes is checked by DNA accessibility to picogreen. The transfection efficiency and pH sensitive property of these formulations has been shown in vitro using bafilomycin, a vacuolar H + -ATPase inhibitor.

On the linear programming bound for linear Lee codes.

PubMed

Astola, Helena; Tabus, Ioan

2016-01-01

Based on an invariance-type property of the Lee-compositions of a linear Lee code, additional equality constraints can be introduced to the linear programming problem of linear Lee codes. In this paper, we formulate this property in terms of an action of the multiplicative group of the field [Formula: see text] on the set of Lee-compositions. We show some useful properties of certain sums of Lee-numbers, which are the eigenvalues of the Lee association scheme, appearing in the linear programming problem of linear Lee codes. Using the additional equality constraints, we formulate the linear programming problem of linear Lee codes in a very compact form, leading to a fast execution, which allows to efficiently compute the bounds for large parameter values of the linear codes.

Development of a noncompact source theory with applications to helicopter rotors

NASA Technical Reports Server (NTRS)

Farassat, F.; Brown, T. J.

1976-01-01

A new formulation for determining the acoustic field of moving bodies, based on acoustic analogy, is derived. The acoustic pressure is given as the sum of two integrals, one of which has a derivative with respect to time. The integrands are functions of the normal velocity and surface pressure of the body. A computer program based on this formulation was used to calculate acoustic pressure signatures for several helicoptor rotors from experimental surface pressure data. Results are compared with those from compact source calculations. It is shown that noncompactness of steady sources on the rotor can account for the high harmonics of the pressure system. Thickness noise is shown to be a significant source of sound, especially for blunt airfoils in regions where noncompact source theory should be applied.

A discrete mechanics approach to dislocation dynamics in BCC crystals

NASA Astrophysics Data System (ADS)

Ramasubramaniam, A.; Ariza, M. P.; Ortiz, M.

2007-03-01

A discrete mechanics approach to modeling the dynamics of dislocations in BCC single crystals is presented. Ideas are borrowed from discrete differential calculus and algebraic topology and suitably adapted to crystal lattices. In particular, the extension of a crystal lattice to a CW complex allows for convenient manipulation of forms and fields defined over the crystal. Dislocations are treated within the theory as energy-minimizing structures that lead to locally lattice-invariant but globally incompatible eigendeformations. The discrete nature of the theory eliminates the need for regularization of the core singularity and inherently allows for dislocation reactions and complicated topological transitions. The quantization of slip to integer multiples of the Burgers' vector leads to a large integer optimization problem. A novel approach to solving this NP-hard problem based on considerations of metastability is proposed. A numerical example that applies the method to study the emanation of dislocation loops from a point source of dilatation in a large BCC crystal is presented. The structure and energetics of BCC screw dislocation cores, as obtained via the present formulation, are also considered and shown to be in good agreement with available atomistic studies. The method thus provides a realistic avenue for mesoscale simulations of dislocation based crystal plasticity with fully atomistic resolution.

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

PubMed

Lucini, Biagio

2010-08-13

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

Isovector charges of the nucleon from 2 + 1 -flavor QCD with clover fermions

DOE PAGES

Yoon, Boram; Jang, Yong -Chull; Gupta, Rajan; ...

2017-04-13

We present high-statistics estimates of the isovector charges of the nucleon from four 2+1-flavor ensembles generated using Wilson-clover fermions with stout smearing and tree-level tadpole improved Symanzik gauge action at lattice spacingsmore » $a=0.114$ and $0.080$ fm and with $$M_\\pi \\approx 315$$ and 200 MeV. The truncated solver method with bias correction and the coherent source sequential propagator construction are used to cost-effectively achieve $O(10^5)$ measurements on each ensemble. Using these data, the analysis of two-point correlation functions is extended to include four states in the fits and of three-point functions to three states. Control over excited-state contamination in the calculation of the nucleon mass, the mass gaps between excited states, and in the matrix elements is demonstrated by the consistency of estimates using this multistate analysis of the spectral decomposition of the correlation functions and from simulations of the three-point functions at multiple values of the source-sink separation. Lastly, the results for all three charges, $$g_A$$, $$g_S$$ and $$g_T$$, are in good agreement with calculations done using the clover-on-HISQ lattice formulation with similar values of the lattice parameters.« less

A density based algorithm to detect cavities and holes from planar points

NASA Astrophysics Data System (ADS)

Zhu, Jie; Sun, Yizhong; Pang, Yueyong

2017-12-01

Delaunay-based shape reconstruction algorithms are widely used in approximating the shape from planar points. However, these algorithms cannot ensure the optimality of varied reconstructed cavity boundaries and hole boundaries. This inadequate reconstruction can be primarily attributed to the lack of efficient mathematic formulation for the two structures (hole and cavity). In this paper, we develop an efficient algorithm for generating cavities and holes from planar points. The algorithm yields the final boundary based on an iterative removal of the Delaunay triangulation. Our algorithm is mainly divided into two steps, namely, rough and refined shape reconstructions. The rough shape reconstruction performed by the algorithm is controlled by a relative parameter. Based on the rough result, the refined shape reconstruction mainly aims to detect holes and pure cavities. Cavity and hole are conceptualized as a structure with a low-density region surrounded by the high-density region. With this structure, cavity and hole are characterized by a mathematic formulation called as compactness of point formed by the length variation of the edges incident to point in Delaunay triangulation. The boundaries of cavity and hole are then found by locating a shape gradient change in compactness of point set. The experimental comparison with other shape reconstruction approaches shows that the proposed algorithm is able to accurately yield the boundaries of cavity and hole with varying point set densities and distributions.

Adsorption onto Mesoporous Silica Using Supercritical Fluid Technology Improves Dissolution Rate of Carbamazepine-a Poorly Soluble Compound.

PubMed

Gandhi, Aditya V; Thipsay, Priyanka; Kirthivasan, Bharat; Squillante, Emilio

2017-11-01

The purpose of this research was to design and characterize an immediate-release formulation of carbamazepine (CBZ), a poorly soluble anti-epileptic drug, using a porous silica carrier. Carbon dioxide in its supercritical state (2000 psi, 30-35°C) was used as an anti-solvent to precipitate CBZ onto two particle size variants of silica. Adsorption isotherms were used as a pre-formulation strategy to select optimum ratios of silica and CBZ. The obtained drug-silica formulations were characterized by dissolution studies, differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and scanning electron microscopy (SEM). This formulation strategy resulted in a 2.4-fold improvement in dissolution rate when compared to pure drug after 30 min of dissolution testing. PXRD and DSC confirmed the amorphous nature of CBZ in the formulations as well as the differences in polymorphic forms of commercial and supercritical fluid-processed CBZ. Additionally, solid-state NMR spectroscopy showed that the spin-lattice relaxation time for bulk drug (without silica) was ∼7.5 times greater than that for silica-confined CBZ, implying that when CBZ was adsorbed onto mesoporous silica, it is structurally disordered and had higher structural mobility, a characteristic of amorphous solids. The mesoporous silica matrix prevented CBZ crystal growth by imposing spatial constraint on CBZ nuclei and hence resulted in faster dissolution compared to bulk solid drug. Adsorption onto mesoporous silica using supercritical fluid technology may be used as a novel formulation strategy for amorphization of poorly soluble compounds, in turn improving their dissolution rate.

Optical fabrication of large area photonic microstructures by spliced lens

NASA Astrophysics Data System (ADS)

Jin, Wentao; Song, Meng; Zhang, Xuehua; Yin, Li; Li, Hong; Li, Lin

2018-05-01

We experimentally demonstrate a convenient approach to fabricate large area photorefractive photonic microstructures by a spliced lens device. Large area two-dimensional photonic microstructures are optically induced inside an iron-doped lithium niobate crystal. The experimental setups of our method are relatively compact and stable without complex alignment devices. It can be operated in almost any optical laboratories. We analyze the induced triangular lattice microstructures by plane wave guiding, far-field diffraction pattern imaging and Brillouin-zone spectroscopy. By designing the spliced lens appropriately, the method can be easily extended to fabricate other complex large area photonic microstructures, such as quasicrystal microstructures. Induced photonic microstructures can be fixed or erased and re-recorded in the photorefractive crystal.

Buffering capability and limitations in low dispersion photonic crystal waveguides with elliptical airholes.

PubMed

Long, Fang; Tian, Huiping; Ji, Yuefeng

2010-09-01

A low dispersion photonic crystal waveguide with triangular lattice elliptical airholes is proposed for compact, high-performance optical buffering applications. In the proposed structure, we obtain a negligible-dispersion bandwidth with constant group velocity ranging from c/41 to c/256, by optimizing the major and minor axes of bulk elliptical holes and adjusting the position and the hole size of the first row adjacent to the defect. In addition, the limitations of buffer performance in a dispersion engineering waveguide are well studied. The maximum buffer capacity and the maximum data rate can reach as high as 262bits and 515 Gbits/s, respectively. The corresponding delay time is about 255.4ps.

Scanning force microscope for in situ nanofocused X-ray diffraction studies

PubMed Central

Ren, Zhe; Mastropietro, Francesca; Davydok, Anton; Langlais, Simon; Richard, Marie-Ingrid; Furter, Jean-Jacques; Thomas, Olivier; Dupraz, Maxime; Verdier, Marc; Beutier, Guillaume; Boesecke, Peter; Cornelius, Thomas W.

2014-01-01

A compact scanning force microscope has been developed for in situ combination with nanofocused X-ray diffraction techniques at third-generation synchrotron beamlines. Its capabilities are demonstrated on Au nano-islands grown on a sapphire substrate. The new in situ device allows for in situ imaging the sample topography and the crystallinity by recording simultaneously an atomic force microscope (AFM) image and a scanning X-ray diffraction map of the same area. Moreover, a selected Au island can be mechanically deformed using the AFM tip while monitoring the deformation of the atomic lattice by nanofocused X-ray diffraction. This in situ approach gives access to the mechanical behavior of nanomaterials. PMID:25178002

High figure of merit ultra-compact 3-channel parallel-connected photonic crystal mini-hexagonal-H1 defect microcavity sensor array

NASA Astrophysics Data System (ADS)

Wang, Chunhong; Sun, Fujun; Fu, Zhongyuan; Ding, Zhaoxiang; Wang, Chao; Zhou, Jian; Wang, Jiawen; Tian, Huiping

2017-08-01

In this paper, a photonic crystal (PhC) butt-coupled mini-hexagonal-H1 defect (MHHD) microcavity sensor is proposed. The MHHD microcavity is designed by introducing six mini-holes into the initial H1 defect region. Further, based on a well-designed 1 ×3 PhC Beam Splitter and three optimal MHHD microcavity sensors with different lattice constants (a), a 3-channel parallel-connected PhC sensor array on monolithic silicon on insulator (SOI) is proposed. Finite-difference time-domain (FDTD) simulations method is performed to demonstrate the high performance of our structures. As statistics show, the quality factor (Q) of our optimal MHHD microcavity attains higher than 7×104, while the sensitivity (S) reaches up to 233 nm/RIU(RIU = refractive index unit). Thus, the figure of merit (FOM) >104 of the sensor is obtained, which is enhanced by two orders of magnitude compared to the previous butt-coupled sensors [1-4]. As for the 3-channel parallel-connected PhC MHHD microcavity sensor array, the FOMs of three independent MHHD microcavity sensors are 8071, 8250 and 8250, respectively. In addition, the total footprint of the proposed 3-channel parallel-connected PhC sensor array is ultra-compactness of 12.5 μm ×31 μm (width × length). Therefore, the proposed high FOM sensor array is an ideal platform for realizing ultra-compact highly parallel refractive index (RI) sensing.

Quantum theory in real Hilbert space: How the complex Hilbert space structure emerges from Poincaré symmetry

NASA Astrophysics Data System (ADS)

Moretti, Valter; Oppio, Marco

As earlier conjectured by several authors and much later established by Solèr (relying on partial results by Piron, Maeda-Maeda and other authors), from the lattice theory point of view, Quantum Mechanics may be formulated in real, complex or quaternionic Hilbert spaces only. Stückelberg provided some physical, but not mathematically rigorous, reasons for ruling out the real Hilbert space formulation, assuming that any formulation should encompass a statement of Heisenberg principle. Focusing on this issue from another — in our opinion, deeper — viewpoint, we argue that there is a general fundamental reason why elementary quantum systems are not described in real Hilbert spaces. It is their basic symmetry group. In the first part of the paper, we consider an elementary relativistic system within Wigner’s approach defined as a locally-faithful irreducible strongly-continuous unitary representation of the Poincaré group in a real Hilbert space. We prove that, if the squared-mass operator is non-negative, the system admits a natural, Poincaré invariant and unique up to sign, complex structure which commutes with the whole algebra of observables generated by the representation itself. This complex structure leads to a physically equivalent reformulation of the theory in a complex Hilbert space. Within this complex formulation, differently from what happens in the real one, all selfadjoint operators represent observables in accordance with Solèr’s thesis, and the standard quantum version of Noether theorem may be formulated. In the second part of this work, we focus on the physical hypotheses adopted to define a quantum elementary relativistic system relaxing them on the one hand, and making our model physically more general on the other hand. We use a physically more accurate notion of irreducibility regarding the algebra of observables only, we describe the symmetries in terms of automorphisms of the restricted lattice of elementary propositions of the quantum system and we adopt a notion of continuity referred to the states viewed as probability measures on the elementary propositions. Also in this case, the final result proves that there exists a unique (up to sign) Poincaré invariant complex structure making the theory complex and completely fitting into Solèr’s picture. This complex structure reveals a nice interplay of Poincaré symmetry and the classification of the commutant of irreducible real von Neumann algebras.

Evaluation of hypericin-loaded solid lipid nanoparticles: physicochemical properties, photostability and phototoxicity.

PubMed

Youssef, Tareq; Fadel, Maha; Fahmy, Rania; Kassab, Kawser

2012-01-01

Hypericin (HYP), a natural photosensitizer, has powerful photo-oxidizing ability, tumor-seeking characteristics, and minimal dark toxicity; nevertheless, it has proven high lipid solubility compared to its sparingly water soluble nature. Therefore, its formulation into solid lipid nanoparticles (SLNs) has attracted increasing attention as a potential drug-delivery carrier. Two HYP-loaded SLNs formulations were prepared utilizing microemulsion-based technique. Thereafter, the physicochemical properties of the formulations were investigated and evaluated. HYP-loaded SLNs showed spherical shape with mean particle size ranging from 200-300 nm for both formulations (FA and FB). The encapsulation efficiencies reached above 80% and FA showed significant higher encapsulation than FB (P<0.05), also, the thermal analysis using differential scanning calorimetry (DSC) indicated good compatibility between hypericin and lipids forming the cores in both formulations. Spectroscopic measurements of the photostability study showed that hypericin encapsulation into SLNs improved its photostability, compared to free HYP in 0.1% ethanolic solution. However, photocytotoxicity studies on HepG2 cells revealed an evident inhibition of the photodynamic efficacy of HYP-loaded SLNs, compared to free HYP. In conclusion, although the elevated entrapment efficiency of HYP into SLNs increased its photostability, it decreased its phototoxicity which might be due to the quenching deactivation of HYP molecules resulting from SLN compactness and thickness structure. © 2012 Informa Healthcare USA, Inc.

Compacted Multiparticulate Systems for Colon-Specific Delivery of Ketoprofen.

PubMed

de Alencar, Rodrigo Gomes; de Oliveira, Aline Carlos; Lima, Eliana Martins; da Cunha-Filho, Marcílio Sérgio Soares; Taveira, Stephânia Fleury; Marreto, Ricardo Neves

2017-08-01

Pellet-containing tablets for colon-specific drug delivery present higher targeting efficiency and lower costs when compared with monolithic tablets and pellet-filled capsules, respectively. In this study, pellets containing ketoprofen were coated with different acrylic polymers and submitted to compaction. The influence of formulation and process factors on film integrity was then evaluated. Pellets were prepared via extrusion-spheronization and coated using two acrylic polymers (Eudragit® FS 30 D and Opadry® 94 k28327, PMMA and PMA, respectively). The resulting pellets were mixed with placebo granules and compressed in a hydraulic press. Multiple regression showed that ketoprofen release from pellet-containing tablets is predominantly influenced by pellet content, hardness, friability, and disintegration time. PMA-containing tablets prepared under low compaction force or with low pellet content showed rapid disintegration (<1 min) and ketoprofen release similar to those of uncompressed coated pellets (∼30% at 360 min of experiment). On the other hand, PMMA-containing tablets showed a higher rupture level, and those prepared with higher pellet content gave rise to a non-disintegrating matrix. Coated pellets were shown to be able to target ketoprofen to the colonic region. Targeting capacity was dependent on the physicochemical characteristics of the tablets.

Determination of Spatially Resolved Tablet Density and Hardness Using Near-Infrared Chemical Imaging (NIR-CI).

PubMed

Talwar, Sameer; Roopwani, Rahul; Anderson, Carl A; Buckner, Ira S; Drennen, James K

2017-08-01

Near-infrared chemical imaging (NIR-CI) combines spectroscopy with digital imaging, enabling spatially resolved analysis and characterization of pharmaceutical samples. Hardness and relative density are critical quality attributes (CQA) that affect tablet performance. Intra-sample density or hardness variability can reveal deficiencies in formulation design or the tableting process. This study was designed to develop NIR-CI methods to predict spatially resolved tablet density and hardness. The method was implemented using a two-step procedure. First, NIR-CI was used to develop a relative density/solid fraction (SF) prediction method for pure microcrystalline cellulose (MCC) compacts only. A partial least squares (PLS) model for predicting SF was generated by regressing the spectra of certain representative pixels selected from each image against the compact SF. Pixel selection was accomplished with a threshold based on the Euclidean distance from the median tablet spectrum. Second, micro-indentation was performed on the calibration compacts to obtain hardness values. A univariate model was developed by relating the empirical hardness values to the NIR-CI predicted SF at the micro-indented pixel locations: this model generated spatially resolved hardness predictions for the entire tablet surface.

Compact teleoperated laparoendoscopic single-site robotic surgical system: Kinematics, control, and operation.

PubMed

Isaac-Lowry, Oran Jacob; Okamoto, Steele; Pedram, Sahba Aghajani; Woo, Russell; Berkelman, Peter

2017-12-01

To date a variety of teleoperated surgical robotic systems have been developed to improve a surgeon's ability to perform demanding single-port procedures. However typical large systems are bulky, expensive, and afford limited angular motion, while smaller designs suffer complications arising from limited motion range, speed, and force generation. This work was to develop and validate a simple, compact, low cost single site teleoperated laparoendoscopic surgical robotic system, with demonstrated capability to carry out basic surgical procedures. This system builds upon previous work done at the University of Hawaii at Manoa and includes instrument and endoscope manipulators as well as compact articulated instruments designed to overcome single incision geometry complications. A robotic endoscope holder was used for the base, with an added support frame for teleoperated manipulators and instruments fabricated mostly from 3D printed parts. Kinematics and control methods were formulated for the novel manipulator configuration. Trajectory following results from an optical motion tracker and sample task performance results are presented. Results indicate that the system has successfully met the goal of basic surgical functionality while minimizing physical size, complexity, and cost. Copyright © 2017 John Wiley & Sons, Ltd.

Thermal Simulations, Open Boundary Conditions and Switches

NASA Astrophysics Data System (ADS)

Burnier, Yannis; Florio, Adrien; Kaczmarek, Olaf; Mazur, Lukas

2018-03-01

SU(N) gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

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

Cheung, Gavin K. C.; Thomas, Christopher E.; Dudek, Jozef J.

We present a general class of operators resembling compact tetraquarks which have a range of colour-flavour-spin structures, transform irreducibly under the symmetries of the lattice and respect other relevant symmetries. These constructions are demonstrated in lattice QCD calculations with light quarks corresponding to m π = 391 MeV. Using the distillation framework, correlation functions involving large bases of meson-meson and tetraquark operators are computed in the isospin-1 hidden-charm and doubly-charmed sectors, and finite-volume spectra are extracted with the variational method. We find the spectra are insensitive to the addition of tetraquark operators to the bases of meson-meson operators. For themore » first time, through using diverse bases of meson-meson operators, the multiple energy levels associated with meson-meson levels which would be degenerate in the non-interacting limit are extracted reliably. The number of energy levels in each spectrum is found to be equal to the number of expected non-interacting meson-meson levels in the energy region considered and the majority of energies lie close to the non-interacting levels. Furthermore, there is no strong indication for any bound state or narrow resonance in the channels we study.« less

Dual curved photonic crystal ring resonator based channel drop filter using two-dimensional photonic crystal structure

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

Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com; Dusad, Lalit Kumar

In this paper channel drop filter (CDF) is designed using dual curved photonic crystal ring resonator (PCRR). The photonic band gap (PBG) is calculated by plane wave expansion (PWE) method and the photonic crystal (PhC) based on two dimensional (2D) square lattice periodic arrays of silicon (Si) rods in air structure have been investigated using finite difference time domain (FDTD) method. The number of rods in Z and X directions is 21 and 20 respectively with lattice constant 0.540 nm and rod radius r = 0.1 µm. The channel drop filter has been optimized for telecommunication wavelengths λ = 1.591 µm with refractivemore » indices 3.533. In the designed structure further analysis is also done by changing whole rods refractive index and it has been observed that this filter may be used for filtering several other channels also. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.« less

Angular velocity of gravitational radiation from precessing binaries and the corotating frame

NASA Astrophysics Data System (ADS)

Boyle, Michael

2013-05-01

This paper defines an angular velocity for time-dependent functions on the sphere and applies it to gravitational waveforms from compact binaries. Because it is geometrically meaningful and has a clear physical motivation, the angular velocity is uniquely useful in helping to solve an important—and largely ignored—problem in models of compact binaries: the inverse problem of deducing the physical parameters of a system from the gravitational waves alone. It is also used to define the corotating frame of the waveform. When decomposed in this frame, the waveform has no rotational dynamics and is therefore as slowly evolving as possible. The resulting simplifications lead to straightforward methods for accurately comparing waveforms and constructing hybrids. As formulated in this paper, the methods can be applied robustly to both precessing and nonprecessing waveforms, providing a clear, comprehensive, and consistent framework for waveform analysis. Explicit implementations of all these methods are provided in accompanying computer code.

A Review of Disintegration Mechanisms and Measurement Techniques.

PubMed

Markl, Daniel; Zeitler, J Axel

2017-05-01

Pharmaceutical solid dosage forms (tablets or capsules) are the predominant form to administer active pharmaceutical ingredients (APIs) to the patient. Tablets are typically powder compacts consisting of several different excipients in addition to the API. Excipients are added to a formulation in order to achieve the desired fill weight of a dosage form, to improve the processability or to affect the drug release behaviour in the body. These complex porous systems undergo different mechanisms when they come in contact with physiological fluids. The performance of a drug is primarily influenced by the disintegration and dissolution behaviour of the powder compact. The disintegration process is specifically critical for immediate-release dosage forms. Its mechanisms and the factors impacting disintegration are discussed and methods used to study the disintegration in-situ are presented. This review further summarises mathematical models used to simulate disintegration phenomena and to predict drug release kinetics.

Relativistic theory of surficial Love numbers

NASA Astrophysics Data System (ADS)

Landry, Philippe; Poisson, Eric

2014-06-01

A relativistic theory of surficial Love numbers, which characterize the surface deformation of a body subjected to tidal forces, was initiated by Damour and Nagar. We revisit this effort in order to extend it, clarify some of its aspects, and simplify its computational implementation. First, we refine the definition of surficial Love numbers proposed by Damour and Nagar and formulate it directly in terms of the deformed curvature of the body's surface, a meaningful geometrical quantity. Second, we develop a unified theory of surficial Love numbers that applies equally well to material bodies and black holes. Third, we derive a compactness-dependent relation between the surficial and (electric-type) gravitational Love numbers of a perfect-fluid body and show that it reduces to the familiar Newtonian relation when the compactness is small. And fourth, we simplify the tasks associated with the practical computation of the surficial and gravitational Love numbers for a material body.

Enabling the Tablet Product Development of 5-Fluorocytosine by Conjugate Acid Base Cocrystals.

PubMed

Perumalla, Sathyanarayana R; Paul, Shubhajit; Sun, Changquan C

2016-06-01

5-Fluorocytosine (FC) is a high-dose antifungal drug that challenges the development of a tablet product due to poor solid-state stability and tabletability. Using 2 pharmaceutically acceptable conjugate acid base (CAB) cocrystals of FC with HCl and acesulfame, we have developed commercially viable high loading FC tablets. The tablets were prepared by direct compression using nano-coated microcrystalline cellulose Avicel PH105 as a tablet binder, which provided both excellent tabletability and good flowability. Commercial manufacturability of formulations based on both CAB cocrystals was verified on a compaction simulator. The results from an expedited friability study were used to set the compaction force, which yielded tablets with sufficient mechanical strength and rapid tablet disintegration. This work demonstrates the potential value of CAB cocrystals in drug product development. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Analysis of compaction shock interactions during DDT of low density HMX

NASA Astrophysics Data System (ADS)

Rao, Pratap T.; Gonthier, Keith A.

2017-01-01

Deflagration-to-Detonation Transition (DDT) in confined, low density granular HMX occurs by a complex mechanism that involves compaction shock interactions within the material. Piston driven DDT experiments indicate that detonation is abruptly triggered by the interaction of a strong combustion-supported secondary shock and a piston-supported primary (input) shock, where the nature of the interaction depends on initial packing density and primary shock strength. These interactions influence transition by affecting dissipative heating within the microstructure during pore collapse. Inert meso-scale simulations of successive shock loading of low density HMX are performed to examine how dissipation and hot-spot formation are affected by the initial density, and the primary and secondary shock strengths. This information is used to formulate an ignition and burn model for low density HMX that accounts for the effect of shock densensitization on burn. Preliminary DDT predictions are presented that illustrate how primary shock strength affects the transition mechanism.

COMBINATION OF DENSITY AND ENERGY MODULATION IN MICROBUNCHING ANALYSIS

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

Tsai, Cheng Ying; Li, Rui

2016-05-01

Microbunching instability (MBI) has been one of the most challenging issues in the transport of high-brightness electron beams for modern recirculating or energy recovery linac machines. Recently we have developed and implemented a Vlasov solver [1] to calculate the microbunching gain for an arbitrary beamline lattice, based on the extension of existing theoretical formulation [2-4] for the microbunching amplification from an initial density perturbation to the final density modulation. For more thorough analyses, in addition to the case of (initial) density to (final) density amplification, we extend in this paper the previous formulation to more general cases, including energy tomore » density, density to energy and energy to energy amplifications for a recirculation machine. Such semi-analytical formulae are then incorporated into our Vlasov solver, and qualitative agreement is obtained when the semi-analytical Vlasov results are compared with particle tracking simulation using ELEGANT [5].« less

Three-body unitarity in the finite volume

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

Mai, M.; Döring, M.

We present the physical interpretation of lattice QCD simulations, performed in a small volume, requires an extrapolation to the infinite volume. A method is proposed to perform such an extrapolation for three interacting particles at energies above threshold. For this, a recently formulated relativisticmore » $$3\\to 3$$ amplitude based on the isobar formulation is adapted to the finite volume. The guiding principle is two- and three-body unitarity that imposes the imaginary parts of the amplitude in the infinite volume. In turn, these imaginary parts dictate the leading power-law finite-volume effects. It is demonstrated that finite-volume poles arising from the singular interaction, from the external two-body sub-amplitudes, and from the disconnected topology cancel exactly leaving only the genuine three-body eigenvalues. Lastly, the corresponding quantization condition is derived for the case of three identical scalar-isoscalar particles and its numerical implementation is demonstrated.« less

Application of 13C NMR cross-polarization inversion recovery experiments for the analysis of solid dosage forms.

PubMed

Pisklak, Dariusz Maciej; Zielińska-Pisklak, Monika; Szeleszczuk, Łukasz

2016-11-20

Solid-state nuclear magnetic resonance (ssNMR) is a powerful and unique method for analyzing solid forms of the active pharmaceutical ingredients (APIs) directly in their original formulations. Unfortunately, despite their wide range of application, the ssNMR experiments often suffer from low sensitivity and peaks overlapping between API and excipients. To overcome these limitations, the crosspolarization inversion recovery method was successfully used. The differences in the spin-lattice relaxation time constants for hydrogen atoms T1(H) between API and excipients were employed in order to separate and discriminate their peaks in ssNMR spectra as well as to increase the intensity of API signals in low-dose formulations. The versatility of this method was demonstrated by different examples, including the excipients mixture and commercial solid dosage forms (e.g. granules and tablets). Copyright © 2016 Elsevier B.V. All rights reserved.

Three-body unitarity in the finite volume

DOE PAGES

Mai, M.; Döring, M.

2017-12-18

We present the physical interpretation of lattice QCD simulations, performed in a small volume, requires an extrapolation to the infinite volume. A method is proposed to perform such an extrapolation for three interacting particles at energies above threshold. For this, a recently formulated relativisticmore » $$3\\to 3$$ amplitude based on the isobar formulation is adapted to the finite volume. The guiding principle is two- and three-body unitarity that imposes the imaginary parts of the amplitude in the infinite volume. In turn, these imaginary parts dictate the leading power-law finite-volume effects. It is demonstrated that finite-volume poles arising from the singular interaction, from the external two-body sub-amplitudes, and from the disconnected topology cancel exactly leaving only the genuine three-body eigenvalues. Lastly, the corresponding quantization condition is derived for the case of three identical scalar-isoscalar particles and its numerical implementation is demonstrated.« less

Multistrategy Self-Organizing Map Learning for Classification Problems

PubMed Central

Hasan, S.; Shamsuddin, S. M.

2011-01-01

Multistrategy Learning of Self-Organizing Map (SOM) and Particle Swarm Optimization (PSO) is commonly implemented in clustering domain due to its capabilities in handling complex data characteristics. However, some of these multistrategy learning architectures have weaknesses such as slow convergence time always being trapped in the local minima. This paper proposes multistrategy learning of SOM lattice structure with Particle Swarm Optimisation which is called ESOMPSO for solving various classification problems. The enhancement of SOM lattice structure is implemented by introducing a new hexagon formulation for better mapping quality in data classification and labeling. The weights of the enhanced SOM are optimised using PSO to obtain better output quality. The proposed method has been tested on various standard datasets with substantial comparisons with existing SOM network and various distance measurement. The results show that our proposed method yields a promising result with better average accuracy and quantisation errors compared to the other methods as well as convincing significant test. PMID:21876686

Essentially Entropic Lattice Boltzmann Model

NASA Astrophysics Data System (ADS)

Atif, Mohammad; Kolluru, Praveen Kumar; Thantanapally, Chakradhar; Ansumali, Santosh

2017-12-01

The entropic lattice Boltzmann model (ELBM), a discrete space-time kinetic theory for hydrodynamics, ensures nonlinear stability via the discrete time version of the second law of thermodynamics (the H theorem). Compliance with the H theorem is numerically enforced in this methodology and involves a search for the maximal discrete path length corresponding to the zero dissipation state by iteratively solving a nonlinear equation. We demonstrate that an exact solution for the path length can be obtained by assuming a natural criterion of negative entropy change, thereby reducing the problem to solving an inequality. This inequality is solved by creating a new framework for construction of Padé approximants via quadrature on appropriate convex function. This exact solution also resolves the issue of indeterminacy in case of nonexistence of the entropic involution step. Since our formulation is devoid of complex mathematical library functions, the computational cost is drastically reduced. To illustrate this, we have simulated a model setup of flow over the NACA-0012 airfoil at a Reynolds number of 2.88 ×106.

Arctic curves in path models from the tangent method

NASA Astrophysics Data System (ADS)

Di Francesco, Philippe; Lapa, Matthew F.

2018-04-01

Recently, Colomo and Sportiello introduced a powerful method, known as the tangent method, for computing the arctic curve in statistical models which have a (non- or weakly-) intersecting lattice path formulation. We apply the tangent method to compute arctic curves in various models: the domino tiling of the Aztec diamond for which we recover the celebrated arctic circle; a model of Dyck paths equivalent to the rhombus tiling of a half-hexagon for which we find an arctic half-ellipse; another rhombus tiling model with an arctic parabola; the vertically symmetric alternating sign matrices, where we find the same arctic curve as for unconstrained alternating sign matrices. The latter case involves lattice paths that are non-intersecting but that are allowed to have osculating contact points, for which the tangent method was argued to still apply. For each problem we estimate the large size asymptotics of a certain one-point function using LU decomposition of the corresponding Gessel–Viennot matrices, and a reformulation of the result amenable to asymptotic analysis.

Phonon transport in a curved aluminum thin film due to laser short pulse irradiation

NASA Astrophysics Data System (ADS)

Mansoor, Saad Bin; Yilbas, Bekir Sami

2018-05-01

Laser short-pulse heating of a curved aluminum thin film is investigated. The Boltzmann transport equation is incorporated to formulate the heating situation. A Gaussian laser intensity distribution is considered along the film arc and time exponentially decaying of pulse intensity is incorporated in the analysis. The governing equations of energy transport in the electron and lattice sub-systems are coupled through the electron-phonon coupling parameter. To quantify the phonon intensity distribution in the thin film, equivalent equilibrium temperature is introduced, which is associated with the average energy of all phonons around a local point when the phonon energies are redistributed adiabatically to an equilibrium state. It is found the numerical simulations that electron temperature follows similar trend to the spatial distribution of the laser pulse intensity at the film edge. Temporal variation of electron temperature does not follow the laser pulse intensity distribution. The rise of temperature in the electron sub-system is fast while it remains slow in the lattice sub-system.

B{sub K} with two flavors of dynamical overlap fermions

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

Aoki, S.; Riken BNL Research Center, Brookhaven National Laboratory, Upton, New York 11973; Fukaya, H.

2008-05-01

We present a two-flavor QCD calculation of B{sub K} on a 16{sup 3}x32 lattice at a{approx}0.12 fm (or equivalently a{sup -1}=1.67 GeV). Both valence and sea quarks are described by the overlap fermion formulation. The matching factor is calculated nonperturbatively with the so-called RI/MOM scheme. We find that the lattice data are well described by the next-to-leading order (NLO) partially quenched chiral perturbation theory (PQChPT) up to around a half of the strange quark mass (m{sub s}{sup phys}/2). The data at quark masses heavier than m{sub s}{sup phys}/2 are fitted including a part of next-to-next-to-leading order terms. We obtain B{submore » K}{sup MS}(2 GeV)=0.537(4)(40), where the first error is statistical and the second is an estimate of systematic uncertainties from finite volume, fixing topology, the matching factor, and the scale setting.« less

Binary data corruption due to a Brownian agent

NASA Astrophysics Data System (ADS)

Newman, T. J.; Triampo, Wannapong

1999-05-01

We introduce a model of binary data corruption induced by a Brownian agent (active random walker) on a d-dimensional lattice. A continuum formulation allows the exact calculation of several quantities related to the density of corrupted bits ρ, for example, the mean of ρ and the density-density correlation function. Excellent agreement is found with the results from numerical simulations. We also calculate the probability distribution of ρ in d=1, which is found to be log normal, indicating that the system is governed by extreme fluctuations.

A comment on Baker et al. 'The time dependence of an atom-vacancy encounter due to the vacancy mechanism of diffusion'

NASA Astrophysics Data System (ADS)

Dasenbrock-Gammon, Nathan; Zacate, Matthew O.

2017-05-01

Baker et al. derived time-dependent expressions for calculating average number of jumps per encounter and displacement probabilities for vacancy diffusion in crystal lattice systems with infinitesimal vacancy concentrations. As shown in this work, their formulation is readily expanded to include finite vacancy concentration, which allows calculation of concentration-dependent, time-averaged quantities. This is useful because it provides a computationally efficient method to express lineshapes of nuclear spectroscopic techniques through the use of stochastic fluctuation models.

Galilean-invariant preconditioned central-moment lattice Boltzmann method without cubic velocity errors for efficient steady flow simulations

NASA Astrophysics Data System (ADS)

Hajabdollahi, Farzaneh; Premnath, Kannan N.

2018-05-01

Lattice Boltzmann (LB) models used for the computation of fluid flows represented by the Navier-Stokes (NS) equations on standard lattices can lead to non-Galilean-invariant (GI) viscous stress involving cubic velocity errors. This arises from the dependence of their third-order diagonal moments on the first-order moments for standard lattices, and strategies have recently been introduced to restore Galilean invariance without such errors using a modified collision operator involving corrections to either the relaxation times or the moment equilibria. Convergence acceleration in the simulation of steady flows can be achieved by solving the preconditioned NS equations, which contain a preconditioning parameter that can be used to tune the effective sound speed, and thereby alleviating the numerical stiffness. In the present paper, we present a GI formulation of the preconditioned cascaded central-moment LB method used to solve the preconditioned NS equations, which is free of cubic velocity errors on a standard lattice, for steady flows. A Chapman-Enskog analysis reveals the structure of the spurious non-GI defect terms and it is demonstrated that the anisotropy of the resulting viscous stress is dependent on the preconditioning parameter, in addition to the fluid velocity. It is shown that partial correction to eliminate the cubic velocity defects is achieved by scaling the cubic velocity terms in the off-diagonal third-order moment equilibria with the square of the preconditioning parameter. Furthermore, we develop additional corrections based on the extended moment equilibria involving gradient terms with coefficients dependent locally on the fluid velocity and the preconditioning parameter. Such parameter dependent corrections eliminate the remaining truncation errors arising from the degeneracy of the diagonal third-order moments and fully restore Galilean invariance without cubic defects for the preconditioned LB scheme on a standard lattice. Several conclusions are drawn from the analysis of the structure of the non-GI errors and the associated corrections, with particular emphasis on their dependence on the preconditioning parameter. The GI preconditioned central-moment LB method is validated for a number of complex flow benchmark problems and its effectiveness to achieve convergence acceleration and improvement in accuracy is demonstrated.

Scaled lattice fermion fields, stability bounds, and regularity

NASA Astrophysics Data System (ADS)

O'Carroll, Michael; Faria da Veiga, Paulo A.

2018-02-01

We consider locally gauge-invariant lattice quantum field theory models with locally scaled Wilson-Fermi fields in d = 1, 2, 3, 4 spacetime dimensions. The use of scaled fermions preserves Osterwalder-Seiler positivity and the spectral content of the models (the decay rates of correlations are unchanged in the infinite lattice). In addition, it also results in less singular, more regular behavior in the continuum limit. Precisely, we treat general fermionic gauge and purely fermionic lattice models in an imaginary-time functional integral formulation. Starting with a hypercubic finite lattice Λ ⊂(aZ ) d, a ∈ (0, 1], and considering the partition function of non-Abelian and Abelian gauge models (the free fermion case is included) neglecting the pure gauge interactions, we obtain stability bounds uniformly in the lattice spacing a ∈ (0, 1]. These bounds imply, at least in the subsequential sense, the existence of the thermodynamic (Λ ↗ (aZ ) d) and the continuum (a ↘ 0) limits. Specializing to the U(1) gauge group, the known non-intersecting loop expansion for the d = 2 partition function is extended to d = 3 and the thermodynamic limit of the free energy is shown to exist with a bound independent of a ∈ (0, 1]. In the case of scaled free Fermi fields (corresponding to a trivial gauge group with only the identity element), spectral representations are obtained for the partition function, free energy, and correlations. The thermodynamic and continuum limits of the free fermion free energy are shown to exist. The thermodynamic limit of n-point correlations also exist with bounds independent of the point locations and a ∈ (0, 1], and with no n! dependence. Also, a time-zero Hilbert-Fock space is constructed, as well as time-zero, spatially pointwise scaled fermion creation operators which are shown to be norm bounded uniformly in a ∈ (0, 1]. The use of our scaled fields since the beginning allows us to extract and isolate the singularities of the free energy when a ↘ 0.

A mass-conserving multiphase lattice Boltzmann model for simulation of multiphase flows

NASA Astrophysics Data System (ADS)

Niu, Xiao-Dong; Li, You; Ma, Yi-Ren; Chen, Mu-Feng; Li, Xiang; Li, Qiao-Zhong

2018-01-01

In this study, a mass-conserving multiphase lattice Boltzmann (LB) model is proposed for simulating the multiphase flows. The proposed model developed in the present study is to improve the model of Shao et al. ["Free-energy-based lattice Boltzmann model for simulation of multiphase flows with density contrast," Phys. Rev. E 89, 033309 (2014)] by introducing a mass correction term in the lattice Boltzmann model for the interface. The model of Shao et al. [(the improved Zheng-Shu-Chew (Z-S-C model)] correctly considers the effect of the local density variation in momentum equation and has an obvious improvement over the Zheng-Shu-Chew (Z-S-C) model ["A lattice Boltzmann model for multiphase flows with large density ratio," J. Comput. Phys. 218(1), 353-371 (2006)] in terms of solution accuracy. However, due to the physical diffusion and numerical dissipation, the total mass of each fluid phase cannot be conserved correctly. To solve this problem, a mass correction term, which is similar to the one proposed by Wang et al. ["A mass-conserved diffuse interface method and its application for incompressible multiphase flows with large density ratio," J. Comput. Phys. 290, 336-351 (2015)], is introduced into the lattice Boltzmann equation for the interface to compensate the mass losses or offset the mass increase. Meanwhile, to implement the wetting boundary condition and the contact angle, a geometric formulation and a local force are incorporated into the present mass-conserving LB model. The proposed model is validated by verifying the Laplace law, simulating both one and two aligned droplets splashing onto a liquid film, droplets standing on an ideal wall, droplets with different wettability splashing onto smooth wax, and bubbles rising under buoyancy. Numerical results show that the proposed model can correctly simulate multiphase flows. It was found that the mass is well-conserved in all cases considered by the model developed in the present study. The developed model has been found to perform better than the improved Z-S-C model in this aspect.

Square lattice honeycomb reactor for space power and propulsion

NASA Astrophysics Data System (ADS)

Gouw, Reza; Anghaie, Samim

2000-01-01

The most recent nuclear design study at the Innovative Nuclear Space Power and Propulsion Institute (INSPI) is the Moderated Square-Lattice Honeycomb (M-SLHC) reactor design utilizing the solid solution of ternary carbide fuels. The reactor is fueled with solid solution of 93% enriched (U,Zr,Nb)C. The square-lattice honeycomb design provides high strength and is amenable to the processing complexities of these ultrahigh temperature fuels. The optimum core configuration requires a balance between high specific impulse and thrust level performance, and maintaining the temperature and strength limits of the fuel. The M-SLHC design is based on a cylindrical core that has critical radius and length of 37 cm and 50 cm, respectively. This design utilized zirconium hydrate to act as moderator. The fuel sub-assemblies are designed as cylindrical tubes with 12 cm in diameter and 10 cm in length. Five fuel subassemblies are stacked up axially to form one complete fuel assembly. These fuel assemblies are then arranged in the circular arrangement to form two fuel regions. The first fuel region consists of six fuel assemblies, and 18 fuel assemblies for the second fuel region. A 10-cm radial beryllium reflector in addition to 10-cm top axial beryllium reflector is used to reduce neutron leakage from the system. To perform nuclear design analysis of the M-SLHC design, a series of neutron transport and diffusion codes are used. To optimize the system design, five axial regions are specified. In each axial region, temperature and fuel density are varied. The axial and radial power distributions for the system are calculated, as well as the axial and radial flux distributions. Temperature coefficients of the system are also calculated. A water submersion accident scenario is also analyzed for these systems. Results of the nuclear design analysis indicate that a compact core can be designed based on ternary uranium carbide square-lattice honeycomb fuel, which provides a relatively high thrust to weight ratio. .

The MAX IV storage ring project

PubMed Central

Tavares, Pedro F.; Leemann, Simon C.; Sjöström, Magnus; Andersson, Åke

2014-01-01

The MAX IV facility, currently under construction in Lund, Sweden, features two electron storage rings operated at 3 GeV and 1.5 GeV and optimized for the hard X-ray and soft X-ray/VUV spectral ranges, respectively. A 3 GeV linear accelerator serves as a full-energy injector into both rings as well as a driver for a short-pulse facility, in which undulators produce X-ray pulses as short as 100 fs. The 3 GeV ring employs a multibend achromat (MBA) lattice to achieve, in a relatively short circumference of 528 m, a bare lattice emittance of 0.33 nm rad, which reduces to 0.2 nm rad as insertion devices are added. The engineering implementation of the MBA lattice raises several technological problems. The large number of strong magnets per achromat calls for a compact design featuring small-gap combined-function magnets grouped into cells and sharing a common iron yoke. The small apertures lead to a low-conductance vacuum chamber design that relies on the chamber itself as a distributed copper absorber for the heat deposited by synchrotron radiation, while non-evaporable getter (NEG) coating provides for reduced photodesorption yields and distributed pumping. Finally, a low main frequency (100 MHz) is chosen for the RF system yielding long bunches, which are further elongated by passively operated third-harmonic Landau cavities, thus alleviating collective effects, both coherent (e.g. resistive wall instabilities) and incoherent (intrabeam scattering). In this paper, we focus on the MAX IV 3 GeV ring and present the lattice design as well as the engineering solutions to the challenges inherent to such a design. As the first realisation of a light source based on the MBA concept, the MAX IV 3 GeV ring offers an opportunity for validation of concepts that are likely to be essential ingredients of future diffraction-limited light sources. PMID:25177978

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

Dufour, F., E-mail: dufour@math.u-bordeaux1.fr; Prieto-Rumeau, T., E-mail: tprieto@ccia.uned.es

We consider a discrete-time constrained discounted Markov decision process (MDP) with Borel state and action spaces, compact action sets, and lower semi-continuous cost functions. We introduce a set of hypotheses related to a positive weight function which allow us to consider cost functions that might not be bounded below by a constant, and which imply the solvability of the linear programming formulation of the constrained MDP. In particular, we establish the existence of a constrained optimal stationary policy. Our results are illustrated with an application to a fishery management problem.

Stress intensity factor in a tapered specimen

NASA Technical Reports Server (NTRS)

Xue-Hui, L.; Erdogan, F.

1985-01-01

The general problem of a tapered specimen containing an edge crack is formulated in terms of a system of singular integral equations. The equations are solved and the stress intensity factor is calculated for a compact and for a slender tapered specimen, the latter simulating the double cantilever beam. The results are obtained primarily for a pair of concentrated forces and for crack surface wedge forces. The stress intensity factors are also obtained for a long strip under uniform tension which contains inclined edge cracks.

Non-equilibrium processes in interstellar molecules

NASA Technical Reports Server (NTRS)

Strelnitskiy, V. S.

1979-01-01

The types of nonequilibrium emission and absorption by interstellar molecules are summarized. The observed brightness emission temperatures of compact OH and H2O sources are discussed using the concept of maser amplification. A single thermodynamic approach was used in which masers and anti-masers are considered as heat engines for the theoretical interpretation of the cosmic maser and anti-maser phenomena. The requirements for different models of pumping are formulated and a classification is suggested for the mechanisms of pumping, according to the source and discharge of energy.

Inequivalent coherent state representations in group field theory

NASA Astrophysics Data System (ADS)

Kegeles, Alexander; Oriti, Daniele; Tomlin, Casey

2018-06-01

In this paper we propose an algebraic formulation of group field theory and consider non-Fock representations based on coherent states. We show that we can construct representations with an infinite number of degrees of freedom on compact manifolds. We also show that these representations break translation symmetry. Since such representations can be regarded as quantum gravitational systems with an infinite number of fundamental pre-geometric building blocks, they may be more suitable for the description of effective geometrical phases of the theory.

Geometric calculus-based postulates for the derivation and extension of the Maxwell equations

NASA Astrophysics Data System (ADS)

McClellan, Gene E.

2012-09-01

Clifford analysis, particularly application of the geometric algebra of three-dimensional physical space and its associated geometric calculus, enables a compact formulation of Maxwell's electromagnetic (EM) equations from a set of physically relevant and mathematically pleasing postulates. This formulation results in a natural extension of the Maxwell equations yielding wave solutions in addition to the usual EM waves. These additional solutions do not contradict experiment and have three properties in common with the apparent properties of dark energy. These three properties are that the wave solutions 1) propagate at the speed of light, 2) do not interact with ordinary electric charges or currents, and 3) possess retrograde momentum. By retrograde momentum, we mean that the momentum carried by such a wave is directed oppositely to the direction of energy transport. A "gas" of such waves generates negative pressure.

Development of an Innovative Algorithm for Aerodynamics-Structure Interaction Using Lattice Boltzmann Method

NASA Technical Reports Server (NTRS)

Mei, Ren-Wei; Shyy, Wei; Yu, Da-Zhi; Luo, Li-Shi; Rudy, David (Technical Monitor)

2001-01-01

The lattice Boltzmann equation (LBE) is a kinetic formulation which offers an alternative computational method capable of solving fluid dynamics for various systems. Major advantages of the method are owing to the fact that the solution for the particle distribution functions is explicit, easy to implement, and the algorithm is natural to parallelize. In this final report, we summarize the works accomplished in the past three years. Since most works have been published, the technical details can be found in the literature. Brief summary will be provided in this report. In this project, a second-order accurate treatment of boundary condition in the LBE method is developed for a curved boundary and tested successfully in various 2-D and 3-D configurations. To evaluate the aerodynamic force on a body in the context of LBE method, several force evaluation schemes have been investigated. A simple momentum exchange method is shown to give reliable and accurate values for the force on a body in both 2-D and 3-D cases. Various 3-D LBE models have been assessed in terms of efficiency, accuracy, and robustness. In general, accurate 3-D results can be obtained using LBE methods. The 3-D 19-bit model is found to be the best one among the 15-bit, 19-bit, and 27-bit LBE models. To achieve desired grid resolution and to accommodate the far field boundary conditions in aerodynamics computations, a multi-block LBE method is developed by dividing the flow field into various blocks each having constant lattice spacing. Substantial contribution to the LBE method is also made through the development of a new, generalized lattice Boltzmann equation constructed in the moment space in order to improve the computational stability, detailed theoretical analysis on the stability, dispersion, and dissipation characteristics of the LBE method, and computational studies of high Reynolds number flows with singular gradients. Finally, a finite difference-based lattice Boltzmann method is developed for inviscid compressible flows.

Analysis and interpretation of diffraction data from complex, anisotropic materials

NASA Astrophysics Data System (ADS)

Tutuncu, Goknur

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

An upscaling method and a numerical analysis of swelling/shrinking processes in a compacted bentonite/sand mixture

NASA Astrophysics Data System (ADS)

Xie, M.; Agus, S. S.; Schanz, T.; Kolditz, O.

2004-12-01

This paper presents an upscaling concept of swelling/shrinking processes of a compacted bentonite/sand mixture, which also applies to swelling of porous media in general. A constitutive approach for highly compacted bentonite/sand mixture is developed accordingly. The concept is based on the diffuse double layer theory and connects microstructural properties of the bentonite as well as chemical properties of the pore fluid with swelling potential. Main factors influencing the swelling potential of bentonite, i.e. variation of water content, dry density, chemical composition of pore fluid, as well as the microstructures and the amount of swelling minerals are taken into account. According to the proposed model, porosity is divided into interparticle and interlayer porosity. Swelling is the potential of interlayer porosity increase, which reveals itself as volume change in the case of free expansion, or turns to be swelling pressure in the case of constrained swelling. The constitutive equations for swelling/shrinking are implemented in the software GeoSys/RockFlow as a new chemo-hydro-mechanical model, which is able to simulate isothermal multiphase flow in bentonite. Details of the mathematical and numerical multiphase flow formulations, as well as the code implementation are described. The proposed model is verified using experimental data of tests on a highly compacted bentonite/sand mixture. Comparison of the 1D modelling results with the experimental data evidences the capability of the proposed model to satisfactorily predict free swelling of the material under investigation. Copyright

A systematic and mechanistic evaluation of aspartic acid as filler for directly compressed tablets containing trimethoprim and trimethoprim aspartate.

PubMed

ElShaer, Amr; Hanson, Peter; Mohammed, Afzal R

2013-04-01

The generally accepted paradigm of 'inert' and 'mono functional' excipient in dosage form has been recently challenged with the development of individual excipients capable of exhibiting multiple functions (e.g. binder-disintegrants, surfactant which affect P-gp function). The proposed study has been designed within the realm of multifunctionality and is the first and novel investigation towards evaluation of aspartic acid as a filler and disintegration enhancing agent for the delivery of biopharmaceutical class IV model drug trimethoprim. The study investigated powder characteristics using angle of repose, laser diffractometry and scanning electron microscopy (SEM). The prepared tablets were characterised using Heckel analysis, disintegration time and tensile strength measurements. Although Heckel analysis revealed that both TMP and TMP aspartate salt have high elasticity, the salt form produced a stronger compact which was attributed to the formation of agglomerates. Aspartic acid was found to have high plasticity, but its incorporation into the formulations was found to have a negative impact on the compaction properties of TMP and its salt. Surface morphology investigations showed that mechanical interlocking plays a vital role in binding TMP crystals together during compaction, while the small particle size of TMP aspartate agglomerates was found to have significant impact on the tensile strength of the tablets. The study concluded that aspartic acid can be employed as filler and disintegrant and that compactability within tablets was independent of the surface charge of the excipients. Copyright © 2012 Elsevier B.V. All rights reserved.

A novel folate-modified self-microemulsifying drug delivery system of curcumin for colon targeting.

PubMed

Zhang, Lin; Zhu, Weiwei; Yang, Chunfen; Guo, Hongxia; Yu, Aihua; Ji, Jianbo; Gao, Yan; Sun, Min; Zhai, Guangxi

2012-01-01

The objective of this study was to prepare, characterize, and evaluate a folate-modified self-microemulsifying drug delivery system (FSMEDDS) with the aim to improve the solubility of curcumin and its delivery to the colon, facilitating endocytosis of FSMEDDS mediated by folate receptors on colon cancer cells. Ternary phase diagrams were constructed in order to obtain the most efficient self-emulsification region, and the formulation of curcumin-loaded SMEDDS was optimized by a simplex lattice experiment design. Then, three lipophilic folate derivatives (folate-polyethylene glycol-distearoylphosphatidylethanolamine, folate-polyethylene glycol-cholesteryl hemisuccinate, and folate-polyethylene glycol-cholesterol) used as a surfactant were added to curcumin-loaded SMEDDS formulations. An in situ colon perfusion method in rats was used to optimize the formulation of FSMEDDS. Curcumin-loaded FSMEDDS was then filled into colon-targeted capsules and the in vitro release was investigated. Cytotoxicity studies and cellular uptake studies was used in this research. The optimal formulation of FSMEDDS obtained with the established in situ colon perfusion method in rats was comprised of 57.5% Cremophor(®) EL, 32.5% Transcutol(®) HP, 10% Capryol™ 90, and a small amount of folate-polyethylene glycol-cholesteryl hemisuccinate (the weight ratio of folate materials to Cremophor EL was 1:100). The in vitro release results indicated that the obtained formulation of curcumin could reach the colon efficiently and release the drug immediately. Cellular uptake studies analyzed with fluorescence microscopy and flow cytometry indicated that the FSMEDDS formulation could efficiently bind with the folate receptors on the surface of positive folate receptors cell lines. In addition, FSMEDDS showed greater cytotoxicity than SMEDDS in the above two cells. FSMEDDS-filled colon-targeted capsules are a potential carrier for colon delivery of curcumin.

Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

NASA Astrophysics Data System (ADS)

Lyu, Dandan; Li, Shaofan

2017-10-01

Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

A wave superposition method formulated in digital acoustic space

NASA Astrophysics Data System (ADS)

Hwang, Yong-Sin

In this thesis, a new formulation of the Wave Superposition method is proposed wherein the conventional mesh approach is replaced by a simple 3-D digital work space that easily accommodates shape optimization for minimizing or maximizing radiation efficiency. As sound quality is in demand in almost all product designs and also because of fierce competition between product manufacturers, faster and accurate computational method for shape optimization is always desired. Because the conventional Wave Superposition method relies solely on mesh geometry, it cannot accommodate fast shape changes in the design stage of a consumer product or machinery, where many iterations of shape changes are required. Since the use of a mesh hinders easy shape changes, a new approach for representing geometry is introduced by constructing a uniform lattice in a 3-D digital work space. A voxel (a portmanteau, a new word made from combining the sound and meaning, of the words, volumetric and pixel) is essentially a volume element defined by the uniform lattice, and does not require separate connectivity information as a mesh element does. In the presented method, geometry is represented with voxels that can easily adapt to shape changes, therefore it is more suitable for shape optimization. The new method was validated by computing radiated sound power of structures of simple and complex geometries and complex mode shapes. It was shown that matching volume velocity is a key component to an accurate analysis. A sensitivity study showed that it required at least 6 elements per acoustic wavelength, and a complexity study showed a minimal reduction in computational time.

Development of qualitative and quantitative analysis methods in pharmaceutical application with new selective signal excitation methods for 13 C solid-state nuclear magnetic resonance using 1 H T1rho relaxation time.

PubMed

Nasu, Mamiko; Nemoto, Takayuki; Mimura, Hisashi; Sako, Kazuhiro

2013-01-01

Most pharmaceutical drug substances and excipients in formulations exist in a crystalline or amorphous form, and an understanding of their state during manufacture and storage is critically important, particularly in formulated products. Carbon 13 solid-state nuclear magnetic resonance (NMR) spectroscopy is useful for studying the chemical and physical state of pharmaceutical solids in a formulated product. We developed two new selective signal excitation methods in (13) C solid-state NMR to extract the spectrum of a target component from such a mixture. These methods were based on equalization of the proton relaxation time in a single domain via rapid intraproton spin diffusion and the difference in proton spin-lattice relaxation time in the rotating frame ((1) H T1rho) of individual components in the mixture. Introduction of simple pulse sequences to one-dimensional experiments reduced data acquisition time and increased flexibility. We then demonstrated these methods in a commercially available drug and in a mixture of two saccharides, in which the (13) C signals of the target components were selectively excited, and showed them to be applicable to the quantitative analysis of individual components in solid mixtures, such as formulated products, polymorphic mixtures, or mixtures of crystalline and amorphous phases. Copyright © 2012 Wiley Periodicals, Inc.

A unifying approach to lattice dynamical and electronic properties of solids

NASA Astrophysics Data System (ADS)

Falter, C.

1988-06-01

A unified analysis of lattice dynamical and electronic properties of solids with special emphasis on the interaction between electrons and phonons is presented. The article is roughly divided into two parts reflecting different points of view. The density response of the electrons provides the link between these parts. In the first part, the microscopic theory in terms of the density response in crystals is discussed. Relations are pointed out between the density response approach and the density functional theory. The latter is used for a representation of the exchange-correlation interaction and the microscopic force constants. Relevant methods, as recently proposed by various authors for the calculation of the density response in inhomogeneous solids are discussed. Particular attention is paid to the development of a renormalized response description. Applications of this method to lattice dynamical and electronic properties are presented. In the second part an alternative physical concept, the quasi-ion approach, is outlined. This concept is shown to provide a microscopic basis for electronic charge localization in crystals and proves the importance of the correlation between crystal symmetry and many-body effects. Is is derived that within linear response theory an appropriate decomposition of the valence charge density leads uniquely to a spatially localized density contribution at the individual ion which follows its motion rigidly. The composite consisting of this partial density and the ion core is taken to be an individual entity, denoted as quasi-ion, from which the crystal is built up. In a certain sense this is a generalization of Ziman's concept of neutral pseudo-atoms being approximately valid in simple metals. New insight into the bonding mechanism and charge relaxation processes is shown to follow from this concept. In particular, we discuss the covalent, ionic and metallic bonding mechanisms, using the localized picture provided by the partial densities, on the same basis. The quasi-ion approach is also applied to the calculation of phonon-induced charge density redistributions and to the construction of a simplified formulation of microscopic lattice dynamics. Investigations of the phonon dispersion for different bonding types are given within a rigid quasi-ion model and extensions of this model are outlined. Among other things, these calculations indicate that bonding dynamics of (covalent) molecules and crystals can be described by relative rotations of the quasi-ions under the condition of rotational invariance of the system. Finally, possible applications of the quasi-ion concept to an approximate formulation of anharmonic lattice dynamics and the interaction between electrons and phonons are discussed. A numerical investigation of this interaction is presented and compared with the results from the rigid-ion model. As a consequence of the quasi-ion concept a consistent calculation of the phonon dispersion, the electronic band structure and the electron-phonon interaction becomes possible.

Optimization of Premix Powders for Tableting Use.

PubMed

Todo, Hiroaki; Sato, Kazuki; Takayama, Kozo; Sugibayashi, Kenji

2018-05-08

Direct compression is a popular choice as it provides the simplest way to prepare the tablet. It can be easily adopted when the active pharmaceutical ingredient (API) is unstable in water or to thermal drying. An optimal formulation of preliminary mixed powders (premix powders) is beneficial if prepared in advance for tableting use. The aim of this study was to find the optimal formulation of the premix powders composed of lactose (LAC), cornstarch (CS), and microcrystalline cellulose (MCC) by using statistical techniques. Based on the "Quality by Design" concept, a (3,3)-simplex lattice design consisting of three components, LAC, CS, and MCC was employed to prepare the model premix powders. Response surface method incorporating a thin-plate spline interpolation (RSM-S) was applied for estimation of the optimum premix powders for tableting use. The effect of tablet shape identified by the surface curvature on the optimization was investigated. The optimum premix powder was effective when the premix was applied to a small quantity of API, although the function of premix was limited in the case of the formulation of large amount of API. Statistical techniques are valuable to exploit new functions of well-known materials such as LAC, CS, and MCC.

Optimization and evaluation of clarithromycin floating tablets using experimental mixture design.

PubMed

Uğurlu, Timucin; Karaçiçek, Uğur; Rayaman, Erkan

2014-01-01

The purpose of the study was to prepare and evaluate clarithromycin (CLA) floating tablets using experimental mixture design for treatment of Helicobacter pylori provided by prolonged gastric residence time and controlled plasma level. Ten different formulations were generated based on different molecular weight of hypromellose (HPMC K100, K4M, K15M) by using simplex lattice design (a sub-class of mixture design) with Minitab 16 software. Sodium bicarbonate and anhydrous citric acid were used as gas generating agents. Tablets were prepared by wet granulation technique. All of the process variables were fixed. Results of cumulative drug release at 8th h (CDR 8th) were statistically analyzed to get optimized formulation (OF). Optimized formulation, which gave floating lag time lower than 15 s and total floating time more than 10 h, was analyzed and compared with target for CDR 8th (80%). A good agreement was shown between predicted and actual values of CDR 8th with a variation lower than 1%. The activity of clarithromycin contained optimizedformula against H. pylori were quantified using well diffusion agar assay. Diameters of inhibition zones vs. log10 clarithromycin concentrations were plotted in order to obtain a standard curve and clarithromycin activity.

MERCHANT MARINE SHIP REACTOR

DOEpatents

Mumm, J.F.; North, D.C. Jr.; Rock, H.R.; Geston, D.K.

1961-05-01

A nuclear reactor is described for use in a merchant marine ship. The reactor is of pressurized light water cooled and moderated design in which three passes of the water through the core in successive regions of low, intermediate, and high heat generation and downflow in a fuel region are made. The foregoing design makes a compact reactor construction with extended core life. The core has an egg-crate lattice containing the fuel elements confined between a lower flow baffle and upper grid plate, with the latter serving also as part of a turn- around manifold from which the entire coolant is distributed into the outer fuel elements for the second pass through the core. The inner fuel elements are cooled in the third pass.

Merchant Marine Ship Reactor

DOEpatents

Sankovich, M. F.; Mumm, J. F.; North, Jr, D. C.; Rock, H. R.; Gestson, D. K.

1961-05-01

A nuclear reactor for use in a merchant marine ship is described. The reactor is of pressurized, light water cooled and moderated design in which three passes of the water through the core in successive regions of low, intermediate, and high heat generation and downflow in a fuel region are made. The design makes a compact reactor construction with extended core life. The core has an egg-crate lattice containing the fuel elements that are confined between a lower flow baffle and upper grid plate, with the latter serving also as part of a turn- around manifold from which the entire coolant is distributed into the outer fuel elements for the second pass through the core. The inner fuel elements are cooled in the third pass. (AEC)

Design of a rapid magnetic microfluidic mixer

NASA Astrophysics Data System (ADS)

Ballard, Matthew; Owen, Drew; Mills, Zachary Grant; Hanasoge, Srinivas; Hesketh, Peter; Alexeev, Alexander

2015-11-01

Using three-dimensional simulations and experiments, we demonstrate rapid mixing of fluid streams in a microchannel using orbiting magnetic microbeads. We use a lattice Boltzmann model coupled to a Brownian dynamics model to perform numerical simulations that study in depth the effect of system parameters such as channel configuration and fluid and bead velocities. We use our findings to aid the design of an experimental micromixer. Using this experimental device, we demonstrate rapid microfluidic mixing over a compact channel length, and validate our numerical simulation results. Finally, we use numerical simulations to study the physical mechanisms leading to microfluidic mixing in our system. Our findings demonstrate a promising method of rapid microfluidic mixing over a short distance, with applications in lab-on-a-chip sample testing.

Dynamic Nonreciprocity in Loss-Compensated Piezophononic Media

NASA Astrophysics Data System (ADS)

Merkel, Aurélien; Willatzen, Morten; Christensen, Johan

2018-03-01

Violating time-reversal symmetry enables one to engineer nonreciprocal structures for isolating and rectifying sound and mechanical vibrations. Rectifying sound is commonly achieved in nonlinear media, but the operation is inherently linked to weak and distorted signals. Here, we show how a pronounced electron-phonon coupling in linear piezophononic media under electrical bias can generate full mechanical rectification of broad spectral width, which permits the isolation of pulsed vibrations while keeping the wave-front shape fully intact. In this context, we deliberately show how the acoustoelectric effect can provide active loss compensation against lattice anharmonicity and thermoelastic damping. Further, our predictions confirm tunable nonreciprocity at an ultralarge contrast ratio, which should open the doors for future mechanical diodes and compact ultrasonic transducers for sensing and imaging.

Space-Charge Simulation of Integrable Rapid Cycling Synchrotron

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

Eldred, Jeffery; Valishev, Alexander

2017-05-01

Integrable optics is an innovation in particle accelerator design that enables strong nonlinear focusing without generating parametric resonances. We use a Synergia space-charge simulation to investigate the application of integrable optics to a high-intensity hadron ring that could replace the Fermilab Booster. We find that incorporating integrability into the design suppresses the beam halo generated by a mismatched KV beam. Our integrable rapid cycling synchrotron (iRCS) design includes other features of modern ring design such as low momentum compaction factor and harmonically canceling sextupoles. Experimental tests of high-intensity beams in integrable lattices will take place over the next several yearsmore » at the Fermilab Integrable Optics Test Accelerator (IOTA) and the University of Maryland Electron Ring (UMER).« less

Metasurface polarization splitter

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

Slovick, Brian A.; Zhou, You; Yu, Zhi Gang

Polarization beam splitters, devices that separate the two orthogonal polarizations of light into different propagation directions, are among the most ubiquitous optical elements. However, traditionally polarization splitters rely on bulky optical materials, while emerging optoelectronic and photonic circuits require compact, chip-scale polarization splitters. Here, we show that a rectangular lattice of cylindrical silicon Mie resonators functions as a polarization splitter, efficiently reflecting one polarization while transmitting the other. We show that the polarization splitting arises from the anisotropic permittivity and permeability of the metasurface due to the twofold rotational symmetry of the rectangular unit cell. Lastly, the high polarization efficiency,more » low loss and low profile make these metasurface polarization splitters ideally suited for monolithic integration with optoelectronic and photonic circuits.« less

Metasurface polarization splitter

DOE PAGES

Slovick, Brian A.; Zhou, You; Yu, Zhi Gang; ...

2017-02-20

Polarization beam splitters, devices that separate the two orthogonal polarizations of light into different propagation directions, are among the most ubiquitous optical elements. However, traditionally polarization splitters rely on bulky optical materials, while emerging optoelectronic and photonic circuits require compact, chip-scale polarization splitters. Here, we show that a rectangular lattice of cylindrical silicon Mie resonators functions as a polarization splitter, efficiently reflecting one polarization while transmitting the other. We show that the polarization splitting arises from the anisotropic permittivity and permeability of the metasurface due to the twofold rotational symmetry of the rectangular unit cell. Lastly, the high polarization efficiency,more » low loss and low profile make these metasurface polarization splitters ideally suited for monolithic integration with optoelectronic and photonic circuits.« less

Bulk Crystal Growth, and High-Resolution X-ray Diffraction Results of LiZnAs Semiconductor Material

NASA Astrophysics Data System (ADS)

Montag, Benjamin W.; Reichenberger, Michael A.; Sunder, Madhana; Ugorowski, Philip B.; Nelson, Kyle A.; Henson, Luke C.; McGregor, Douglas S.

2017-08-01

LiZnAs is being explored as a candidate for solid-state neutron detectors. The compact form, solid-state device would have greater efficiency than present day gas-filled 3He and 10BF3 detectors. Devices fabricated from LiZnAs having either natural Li (nominally 7.5% 6Li) or enriched 6Li (usually 95% 6Li) as constituent atoms may provide a material for compact high efficiency neutron detectors. The 6Li( n, t)4He reaction yields a total Q-value of 4.78 MeV, an energy larger than that of the 10B reaction, which can easily be identified above background radiations. LiZnAs material was synthesized by preparing equimolar portions of Li, Zn, and As sealed under vacuum (10-6 Torr) in quartz ampoules lined with boron nitride and subsequently reacted in a compounding furnace (Montag et al. in J Cryst Growth 412:103, 2015). The raw synthesized LiZnAs was purified by a static vacuum sublimation in quartz (Montag et al. in J Cryst Growth 438:99, 2016). Bulk crystalline LiZnAs ingots were grown from the purified material with a high-temperature Bridgman-style growth process described here. One of the largest LiZnAs ingots harvested was 9.6 mm in diameter and 4.2 mm in length. Samples were harvested from the ingot and were characterized for crystallinity using a Bruker AXS Inc. D8 AXS Inc. D2 CRYSO, energy dispersive x-ray diffractometer, and a Bruker AXS Inc. D8 DISCOVER, high-resolution x-ray diffractometer equipped with molybdenum radiation, Gobel mirror, four bounce germanium monochromator and a scintillation detector. The primary beam divergence was determined to be 0.004°, using a single crystal Si standard. The x-ray based characterization revealed that the samples nucleated in the (110) direction and a high-resolution open detector rocking curve recorded on the (220) LiZnAs yielded a full width at half maximum (FWHM) of 0.235°. Sectional pole figures using off-axis reflections of the (211) LiZnAs confirmed in-plane ordering, and also indicated the presence of multiple domains. The LiZnAs bulk crystals exhibited a Primitive Cubic Bravais lattice instead of the commonly reported Face-centered Cubic Bravais lattice. The lattice constant was determined to be 5.5146 ± 0.0003 Å.

Quality by design I: Application of failure mode effect analysis (FMEA) and Plackett-Burman design of experiments in the identification of "main factors" in the formulation and process design space for roller-compacted ciprofloxacin hydrochloride immediate-release tablets.

PubMed

Fahmy, Raafat; Kona, Ravikanth; Dandu, Ramesh; Xie, Walter; Claycamp, Gregg; Hoag, Stephen W

2012-12-01

As outlined in the ICH Q8(R2) guidance, identifying the critical quality attributes (CQA) is a crucial part of dosage form development; however, the number of possible formulation and processing factors that could influence the manufacturing of a pharmaceutical dosage form is enormous obviating formal study of all possible parameters and their interactions. Thus, the objective of this study is to examine how quality risk management can be used to prioritize the number of experiments needed to identify the CQA, while still maintaining an acceptable product risk profile. To conduct the study, immediate-release ciprofloxacin tablets manufactured via roller compaction were used as a prototype system. Granules were manufactured using an Alexanderwerk WP120 roller compactor and tablets were compressed on a Stokes B2 tablet press. In the early stages of development, prior knowledge was systematically incorporated into the risk assessment using failure mode and effect analysis (FMEA). The factors identified using FMEA were then followed by a quantitative assessed using a Plackett-Burman screening design. Results show that by using prior experience, literature data, and preformulation data the number of experiments could be reduced to an acceptable level, and the use of FMEA and screening designs such as the Plackett Burman can rationally guide the process of reducing the number experiments to a manageable level.

Constraint damping for the Z4c formulation of general relativity

NASA Astrophysics Data System (ADS)

Weyhausen, Andreas; Bernuzzi, Sebastiano; Hilditch, David

2012-01-01

One possibility for avoiding constraint violation in numerical relativity simulations adopting free-evolution schemes is to modify the continuum evolution equations so that constraint violations are damped away. Gundlach et al. demonstrated that such a scheme damps low-amplitude, high-frequency constraint-violating modes exponentially for the Z4 formulation of general relativity. Here we analyze the effect of the damping scheme in numerical applications on a conformal decomposition of Z4. After reproducing the theoretically predicted damping rates of constraint violations in the linear regime, we explore numerical solutions not covered by the theoretical analysis. In particular we examine the effect of the damping scheme on low-frequency and on high-amplitude perturbations of flat spacetime as well and on the long-term dynamics of puncture and compact star initial data in the context of spherical symmetry. We find that the damping scheme is effective provided that the constraint violation is resolved on the numerical grid. On grid noise the combination of artificial dissipation and damping helps to suppress constraint violations. We find that care must be taken in choosing the damping parameter in simulations of puncture black holes. Otherwise the damping scheme can cause undesirable growth of the constraints, and even qualitatively incorrect evolutions. In the numerical evolution of a compact static star we find that the choice of the damping parameter is even more delicate, but may lead to a small decrease of constraint violation. For a large range of values it results in unphysical behavior.

NMR signal analysis to attribute the components to the solid/liquid phases present in mixes and ice creams.

PubMed

Mariette, François; Lucas, Tiphaine

2005-03-09

The NMR relaxation signals from complex products such as ice cream are hard to interpret because of the multiexponential behavior of the relaxation signal and the difficulty of attributing the NMR relaxation components to specific molecule fractions. An attribution of the NMR relaxation parameters is proposed, however, based on an approach that combines quantitative analysis of the spin-spin and spin-lattice relaxation times and the signal intensities with characterization of the ice cream components. We have been able to show that NMR can be used to describe the crystallized and liquid phases separately. The first component of the spin-spin and spin-lattice relaxation describes the behavior of the protons of the crystallized fat in the mix. The amount of fat crystals can then be estimated. In the case of ice cream, only the spin-lattice relaxation signal from the crystallized fraction is relevant. However, it enables the ice protons and the protons of the crystallized fat to be distinguished. The spin-lattice relaxation time can be used to describe the mobility of the protons in the different crystallized phases and also to quantify the amount of ice crystals and fat crystals in the ice cream. The NMR relaxation of the liquid phase of the mix has a biexponential behavior. A first component is attributable to the liquid fraction of the fat and to the sugars, while a second component is attributable to the aqueous phase. Overall, the study shows that despite the complexity of the NMR signal from ice cream, a number of relevant parameters can be extracted to study the influence of the formulation and of the process stages on the ice fraction, the crystallized fat fraction, and the liquid aqueous fraction.

Worldlines and worldsheets for non-abelian lattice field theories: Abelian color fluxes and Abelian color cycles

NASA Astrophysics Data System (ADS)

Gattringer, Christof; Göschl, Daniel; Marchis, Carlotta

2018-03-01

We discuss recent developments for exact reformulations of lattice field theories in terms of worldlines and worldsheets. In particular we focus on a strategy which is applicable also to non-abelian theories: traces and matrix/vector products are written as explicit sums over color indices and a dual variable is introduced for each individual term. These dual variables correspond to fluxes in both, space-time and color for matter fields (Abelian color fluxes), or to fluxes in color space around space-time plaquettes for gauge fields (Abelian color cycles). Subsequently all original degrees of freedom, i.e., matter fields and gauge links, can be integrated out. Integrating over complex phases of matter fields gives rise to constraints that enforce conservation of matter flux on all sites. Integrating out phases of gauge fields enforces vanishing combined flux of matter-and gauge degrees of freedom. The constraints give rise to a system of worldlines and worldsheets. Integrating over the factors that are not phases (e.g., radial degrees of freedom or contributions from the Haar measure) generates additional weight factors that together with the constraints implement the full symmetry of the conventional formulation, now in the language of worldlines and worldsheets. We discuss the Abelian color flux and Abelian color cycle strategies for three examples: the SU(2) principal chiral model with chemical potential coupled to two of the Noether charges, SU(2) lattice gauge theory coupled to staggered fermions, as well as full lattice QCD with staggered fermions. For the principal chiral model we present some simulation results that illustrate properties of the worldline dynamics at finite chemical potentials.

Physical results from 2+1 flavor domain wall QCD

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

Scholz,E.E.

2008-07-14

We review recent results for the chiral behavior of meson masses and decay constants and the determination of the light quark masses by the RBC and UKQCD collaborations. We find that one-loop SU(2) chiral perturbation theory represents the behavior of our lattice data better than one-loop SU(3) chiral perturbation theory in both the pion and kaon sectors. The simulations have been performed using the Iwasaki gauge action at two different lattice spacings with the physical spatial volume held approximately fixed at (2.7fm){sup 3}. The Domain Wall fermion formulation was used for the 2+1 dynamical quark flavors: two (mass degenerate) lightmore » flavors with masses as light as roughly 1/5 the mass of the physical strange quark mass and one heavier quark flavor at approximately the value of the physical strange quark mass, On the ensembles generated with the coarser lattice spacing, we obtain for the physical average up- and down-quark and strange quark masses m{sub ud}{sup {ovr MS}} (2 GeV) = 3.72(0.16){sub stat}(0.33){sub ren}(0.18){sub syst}MeV and m{sub s}{sup {ovr MS}} (2 GeV) = 107.3(4.4){sub stat}(9.7){sub ren}(4.9){sub syst} MeV, respectively, while they find for the pion and kaon decay constants f{sub {pi}} = 124.1(3.6){sub stat}(6.9){sub syst}MeV, f{sub K} = 149.6(3.6){sub stat}(6.3){sub syst} MeV. The analysis for the finer lattice spacing has not been fully completed yet, but we already present some first (preliminary) results.« less

Interplay between writhe and knotting for swollen and compact polymers.

PubMed

Baiesi, Marco; Orlandini, Enzo; Whittington, Stuart G

2009-10-21

The role of the topology and its relation with the geometry of biopolymers under different physical conditions is a nontrivial and interesting problem. Aiming at understanding this issue for a related simpler system, we use Monte Carlo methods to investigate the interplay between writhe and knotting of ring polymers in good and poor solvents. The model that we consider is interacting self-avoiding polygons on the simple cubic lattice. For polygons with fixed knot type, we find a writhe distribution whose average depends on the knot type but is insensitive to the length N of the polygon and to solvent conditions. This "topological contribution" to the writhe distribution has a value that is consistent with that of ideal knots. The standard deviation of the writhe increases approximately as square root(N) in both regimes, and this constitutes a geometrical contribution to the writhe. If the sum over all knot types is considered, the scaling of the standard deviation changes, for compact polygons, to approximately N(0.6). We argue that this difference between the two regimes can be ascribed to the topological contribution to the writhe that, for compact chains, overwhelms the geometrical one, thanks to the presence of a large population of complex knots at relatively small values of N. For polygons with fixed writhe, we find that the knot distribution depends on the chosen writhe, with the occurrence of achiral knots being considerably suppressed for large writhe. In general, the occurrence of a given knot thus depends on a nontrivial interplay between writhe, chain length, and solvent conditions.

Ultra-compact air-mode photonic crystal nanobeam cavity integrated with bandstop filter for refractive index sensing.

PubMed

Sun, Fujun; Fu, Zhongyuan; Wang, Chunhong; Ding, Zhaoxiang; Wang, Chao; Tian, Huiping

2017-05-20

We propose and investigate an ultra-compact air-mode photonic crystal nanobeam cavity (PCNC) with an ultra-high quality factor-to-mode volume ratio (Q/V) by quadratically tapering the lattice space of the rectangular holes from the center to both ends while other parameters remain unchanged. By using the three-dimensional finite-difference time-domain method, an optimized geometry yields a Q of 7.2×10 6 and a V∼1.095(λ/n Si ) 3 in simulations, resulting in an ultra-high Q/V ratio of about 6.5×10 6 (λ/n Si ) -3 . When the number of holes on either side is 8, the cavity possesses a high sensitivity of 252 nm/RIU (refractive index unit), a high calculated Q-factor of 1.27×10 5 , and an ultra-small effective V of ∼0.758(λ/n Si ) 3 at the fundamental resonant wavelength of 1521.74 nm. Particularly, the footprint is only about 8×0.7  μm 2 . However, inevitably our proposed PCNC has several higher-order resonant modes in the transmission spectrum, which makes the PCNC difficult to be used for multiplexed sensing. Thus, a well-designed bandstop filter with weak sidelobes and broad bandwidth based on a photonic crystal nanobeam waveguide is created to connect with the PCNC to filter out the high-order modes. Therefore, the integrated structure presented in this work is promising for building ultra-compact lab-on-chip sensor arrays with high density and parallel-multiplexing capability.

Kinetic processes for plastic deformation of olivine in the Poyi ultramafic intrusion, NW China: Insights from the textural analysis of a 1700 m fully cored succession

NASA Astrophysics Data System (ADS)

Yao, Zhuo-sen; Qin, Ke-zhang; Xue, Sheng-chao

2017-07-01

The ubiquitous presence of undulose extinction and subgrain boundaries in olivine crystals is commonly perceived as originating in the mantle, however these plastic deformation features are also well developed in the Poyi ultramafic intrusion, NW China. In this case, olivine was deformed through kinetic processes in a crustal magma chamber, rather than by deformation processes in the upper mantle. Moreover, accumulation and textural coarsening were critical to the characteristics of crystal size distributions (CSDs) of olivines in the Poyi intrusion. The axial deformational compaction of crystal mush was revealed by virtue of other quantitative textural analyses (e.g., spatial distribution patter, alignment factor and aspect ratio). Additionally, based on the contrast of density between crystal matrix and interstitial melt, adequate stress was generated by the km-scale crystal framework in Poyi body ( 2-11 MPa) which triggered the distortion of grain-lattice in olivine. The deformation mechanisms of olivine primarily are dislocation creep and dislocation-accommodated grain boundary sliding (DisGBS), while diffusion creep is subsidiary. This study has revealed various kinetic processes in a magmatic system by first demonstrating the genetic relationship between mineral deformation and axial compaction of crystal mush while highlighting the uncertainty of employing the deformation features of olivine in peridotite xenoliths as an indicator for a mantle origin. In contrast to the olivine populations of xenocrysts that underwent fragmentation during ascent, the deformed primitive olivines in compaction exhibit a distinct shortage of small grains, which is conducive to delimiting these two types of deformed grains.

A three-dimensional multiphase flow model for assesing NAPL contamination in porous and fractured media, 1. Formulation

NASA Astrophysics Data System (ADS)

Huyakorn, P. S.; Panday, S.; Wu, Y. S.

1994-06-01

A three-dimensional, three-phase numerical model is presented for stimulating the movement on non-aqueous-phase liquids (NAPL's) through porous and fractured media. The model is designed for practical application to a wide variety of contamination and remediation scenarios involving light or dense NAPL's in heterogeneous subsurface systems. The model formulation is first derived for three-phase flow of water, NAPL and air (or vapor) in porous media. The formulation is then extended to handle fractured systems using the dual-porosity and discrete-fracture modeling approaches The model accommodates a wide variety of boundary conditions, including withdrawal and injection well conditions which are treated rigorously using fully implicit schemes. The three-phase of formulation collapses to its simpler forms when air-phase dynamics are neglected, capillary effects are neglected, or two-phase-air-liquid, liquid-liquid systems with one or two active phases are considered. A Galerkin procedure with upstream weighting of fluid mobilities, storage matrix lumping, and fully implicit treatment of nonlinear coefficients and well conditions is used. A variety of nodal connectivity schemes leading to finite-difference, finite-element and hybrid spatial approximations in three dimensions are incorporated in the formulation. Selection of primary variables and evaluation of the terms of the Jacobian matrix for the Newton-Raphson linearized equations is discussed. The various nodal lattice options, and their significance to the computational time and memory requirements with regards to the block-Orthomin solution scheme are noted. Aggressive time-stepping schemes and under-relaxation formulas implemented in the code further alleviate the computational burden.

Mass Protection via Translational Invariance

NASA Astrophysics Data System (ADS)

Alonso, José Luis; Cortés, José Luis; Boucaud, Philippe; Carmona, José Manuel; Polonyi, Janos; Sijs, Arjan Van Der

We propose a way of protecting a Dirac fermion interacting with a scalar field from acquiring a mass from the vacuum. It is obtained through an implementation of translational symmetry when the theory is formulated with a momentum cutoff, which forbids the usual Yukawa term. We consider that this mechanism can help to understand the smallness of neutrino masses without a tuning of the Yukawa coupling. The prohibition of the Yukawa term for the neutrino forbids at the same time a gauge coupling between the right-handed electron and neutrino. We prove that this mechanism can be implemented on the lattice.

A new mechanism of mass protection for fermions

NASA Astrophysics Data System (ADS)

Alonso, J. L.; Boucaud, Ph.; Carmona, J. M.; Cortés, J. L.; Polonyi, J.; van der Sijs, A. J.

We present a way of protecting a Dirac fermion interacting with a scalar (Higgs) field from getting a mass from the vacuum. It is obtained through an implementation of translational symmetry when the theory is formulated with a momentum cutoff, which forbids the usual Yukawa term. We consider that this mechanism can help to understand the smallness of neutrino masses without a tuning of the Yukawa coupling. The prohibition of the Yukawa term for the neutrino forbids at the same time a gauge coupling between the right-handed electron and neutrino. We prove that this mechanism can be implemented on the lattice.

Conceptual analyses of extensible booms to support a solar sail

NASA Technical Reports Server (NTRS)

Crawford, R. F.; Benton, M. D.

1977-01-01

Extensible booms which could function as the diagonal spars and central mast of an 800 meter square, non-rotating Solar Sailing Vehicle were conceptually designed and analyzed. The boom design concept that was investigated is an extensible lattice boom which is stowed and deployed by elastically coiling and uncoiling its continuous longerons. The seven different free-span lengths in each spar which would minimize the total weights of the spars and mast were determined. Boom weights were calculated by using a semi-empirical formulation which related the overall weight of a boom to the weight of its longerons.

Covariant information-density cutoff in curved space-time.

PubMed

Kempf, Achim

2004-06-04

In information theory, the link between continuous information and discrete information is established through well-known sampling theorems. Sampling theory explains, for example, how frequency-filtered music signals are reconstructible perfectly from discrete samples. In this Letter, sampling theory is generalized to pseudo-Riemannian manifolds. This provides a new set of mathematical tools for the study of space-time at the Planck scale: theories formulated on a differentiable space-time manifold can be equivalent to lattice theories. There is a close connection to generalized uncertainty relations which have appeared in string theory and other studies of quantum gravity.

Exact reconstruction analysis/synthesis filter banks with time-varying filters

NASA Technical Reports Server (NTRS)

Arrowood, J. L., Jr.; Smith, M. J. T.

1993-01-01

This paper examines some of the analysis/synthesis issues associated with FIR time-varying filter banks where the filter bank coefficients are allowed to change in response to the input signal. Several issues are identified as being important in order to realize performance gains from time-varying filter banks in image coding applications. These issues relate to the behavior of the filters as transition from one set of filter banks to another occurs. Lattice structure formulations for the time varying filter bank problem are introduced and discussed in terms of their properties and transition characteristics.

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

Qiao, Hongzhu; Rao, N.S.V.; Protopopescu, V.

Regression or function classes of Euclidean type with compact support and certain smoothness properties are shown to be PAC learnable by the Nadaraya-Watson estimator based on complete orthonormal systems. While requiring more smoothness properties than typical PAC formulations, this estimator is computationally efficient, easy to implement, and known to perform well in a number of practical applications. The sample sizes necessary for PAC learning of regressions or functions under sup norm cost are derived for a general orthonormal system. The result covers the widely used estimators based on Haar wavelets, trignometric functions, and Daubechies wavelets.

Keldysh formalism for multiple parallel worlds

NASA Astrophysics Data System (ADS)

Ansari, M.; Nazarov, Y. V.

2016-03-01

We present a compact and self-contained review of the recently developed Keldysh formalism for multiple parallel worlds. The formalism has been applied to consistent quantum evaluation of the flows of informational quantities, in particular, to the evaluation of Renyi and Shannon entropy flows. We start with the formulation of the standard and extended Keldysh techniques in a single world in a form convenient for our presentation. We explain the use of Keldysh contours encompassing multiple parallel worlds. In the end, we briefly summarize the concrete results obtained with the method.

Computer transformation of partial differential equations into any coordinate system

NASA Technical Reports Server (NTRS)

Sullivan, R. D.

1977-01-01

The use of tensors to provide a compact way of writing partial differential equations in a form valid in all coordinate systems is discussed. In order to find solutions to the equations with their boundary conditions they must be expressed in terms of the coordinate system under consideration. The process of arriving at these expressions from the tensor formulation was automated by a software system, TENSR. An allied system that analyzes the resulting expressions term by term and drops those that are negligible is also described.

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

Stottmeister, Alexander, E-mail: alexander.stottmeister@gravity.fau.de; Thiemann, Thomas, E-mail: thomas.thiemann@gravity.fau.de

In this article, the third of three, we analyse how the Weyl quantisation for compact Lie groups presented in the second article of this series fits with the projective-phase space structure of loop quantum gravity-type models. Thus, the proposed Weyl quantisation may serve as the main mathematical tool to implement the program of space adiabatic perturbation theory in such models. As we already argued in our first article, space adiabatic perturbation theory offers an ideal framework to overcome the obstacles that hinder the direct implementation of the conventional Born-Oppenheimer approach in the canonical formulation of loop quantum gravity.

A dynamic unilateral contact problem with adhesion and friction in viscoelasticity

NASA Astrophysics Data System (ADS)

Cocou, Marius; Schryve, Mathieu; Raous, Michel

2010-08-01

The aim of this paper is to study an interaction law coupling recoverable adhesion, friction and unilateral contact between two viscoelastic bodies of Kelvin-Voigt type. A dynamic contact problem with adhesion and nonlocal friction is considered and its variational formulation is written as the coupling between an implicit variational inequality and a parabolic variational inequality describing the evolution of the intensity of adhesion. The existence and approximation of variational solutions are analysed, based on a penalty method, some abstract results and compactness properties. Finally, some numerical examples are presented.

Foundation design for a radio telescope on the moon

NASA Astrophysics Data System (ADS)

Chua, Koon Meng; Johnson, Stewart W.; Yuan, Zehong

A foundation design for a 122 m diameter dish-type radio telescope on the moon is presented. The 1.2 m wide and 43 m diameter circular strip footing was analyzed for settlement due to compaction during installation and also for total and differential settlement under in-service laods. An axisymmetrical finite element code of the uppdated Lagrangian formulation was used. Interface slip elements were also used. The nonlinear hyperbolic stress-strain model parameters for the regolith were derived from load-deflection characteristics of astronauts' bootprints and the Rover tracks.

Keldysh formalism for multiple parallel worlds

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

Ansari, M.; Nazarov, Y. V., E-mail: y.v.nazarov@tudelft.nl

We present a compact and self-contained review of the recently developed Keldysh formalism for multiple parallel worlds. The formalism has been applied to consistent quantum evaluation of the flows of informational quantities, in particular, to the evaluation of Renyi and Shannon entropy flows. We start with the formulation of the standard and extended Keldysh techniques in a single world in a form convenient for our presentation. We explain the use of Keldysh contours encompassing multiple parallel worlds. In the end, we briefly summarize the concrete results obtained with the method.

Electromagnetic form factors of singly heavy baryons in the self-consistent SU(3) chiral quark-soliton model

NASA Astrophysics Data System (ADS)

Kim, June-Young; Kim, Hyun-Chul

2018-06-01

The self-consistent chiral quark-soliton model is a relativistic pion mean-field approach in the large Nc limit, which describes both light and heavy baryons on an equal footing. In the limit of the infinitely heavy mass of the heavy quark, a heavy baryon can be regarded as Nc-1 valence quarks bound by the pion mean fields, leaving the heavy quark as a color static source. The structure of the heavy baryon in this scheme is mainly governed by the light-quark degrees of freedom. Based on this framework, we evaluate the electromagnetic form factors of the lowest-lying heavy baryons. The rotational 1 /Nc and strange current quark mass corrections in linear order are considered. We discuss the electric charge and magnetic densities of heavy baryons in comparison with those of the nucleons. The results of the electric charge radii of the positive-charged heavy baryons show explicitly that the heavy baryon is a compact object. The electric form factors are presented. The form factor of Σc++ is compared with that from a lattice QCD. We also discuss the results of the magnetic form factors. The magnetic moments of the baryon sextet with spin 1 /2 and the magnetic radii are compared with other works and the lattice data.

Performance of Transuranic-Loaded Fully Ceramic Micro-Encapsulated Fuel in LWRs Final Report, Including Void Reactivity Evaluation

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

Michael A. Pope; R. Sonat Sen; Brian Boer

2011-09-01

The current focus of the Deep Burn Project is on once-through burning of transuranics (TRU) in light-water reactors (LWRs). The fuel form is called Fully-Ceramic Micro-encapsulated (FCM) fuel, a concept that borrows the tri-isotropic (TRISO) fuel particle design from high-temperature reactor technology. In the Deep Burn LWR (DB-LWR) concept, these fuel particles are pressed into compacts using SiC matrix material and loaded into fuel pins for use in conventional LWRs. The TRU loading comes from the spent fuel of a conventional LWR after 5 years of cooling. Unit cell and assembly calculations have been performed using the DRAGON-4 code tomore » assess the physics attributes of TRU-only FCM fuel in an LWR lattice. Depletion calculations assuming an infinite lattice condition were performed with calculations of various reactivity coefficients performed at each step. Unit cells and assemblies containing typical UO2 and mixed oxide (MOX) fuel were analyzed in the same way to provide a baseline against which to compare the TRU-only FCM fuel. Then, assembly calculations were performed evaluating the performance of heterogeneous arrangements of TRU-only FCM fuel pins along with UO2 pins.« less

Supramolecular structures of halogenated oligothiophenes on the Si(111)-√3 ×√3-Ag surface

NASA Astrophysics Data System (ADS)

Liu, R.; Fu, C.; Perepichka, D. F.; Gallagher, M. C.

2016-05-01

We have studied the adsorption of brominated tetrathienoanthracene (TBTTA) molecules onto the Si(111)-√3 × √ 3-Ag surface at room temperature. The two-dimensional √ 3 silver adlayer acts to passivate the silicon surface and provides a high-mobility template for TBTTA adsorption. Scanning tunneling microscopy (STM) images reveal that at low coverage, the molecules readily migrate to step edges and defects in the √ 3 overlayer. With increasing coverage, the molecules eventually form compact supramolecular structures. In terms of the hexagonal √ 3 lattice vectors (a√ 3 and b√ 3), the oblique unit cell of these structures can be defined by lattice vectors am = 3a√ 3 + 2b√ 3, and bm = - a√ 3 + b√ 3. The structures are quite fragile and can decompose under repeated STM imaging. This is particularly true at higher bias and suggests an electric field-induced dissociation in these instances. With increasing molecular dose, the size and stability of the structures increases. At higher coverage, the spatial extent of the supramolecular structures is often limited by defects in the underlying √ 3 layer. Our results suggest that the √ 3-Ag surface provides a relatively inert substrate for the adsorption of TBTTA molecules, and that the supramolecular structures are held together by relatively weak intermolecular forces.

Adsorption of dysprosium on the graphite (0001) surface: Nucleation and growth at 300 K

DOE PAGES

Kwolek, Emma J.; Lei, Huaping; Lii-Rosales, Ann; ...

2016-06-13

We have studied nucleation and growth of Dy islands on the basal plane of graphite at 300 K using scanning tunneling microscopy, density functional theory (DFT) in a form that includes van der Waals interactions, and analytic theory. The interaction of atomic Dy with graphite is strong, while the diffusion barrier is small. Experiment shows that at 300 K, the density of nucleated islands is close to the value predicted for homogeneous nucleation, using critical nucleus size of 1 and the DFT-derived diffusion barrier. Homogeneous nucleation is also supported by the monomodal shape of the island size distributions. Comparison withmore » the published island density of Dy on graphene shows that the value is about two orders of magnitude smaller on graphite, which can be attributed to more effective charge screening in graphite. The base of each island is 3 atomic layers high and atomically ordered, forming a coincidence lattice with the graphite. Islands resist coalescence, probably due to multiple rotational orientations associated with the coincidence lattice. Upper levels grow as discernible single-atom layers. Analysis of the level populations reveals significant downward interlayer transport, which facilitates growth of the base. As a result, this island shape is metastable, since more compact three-dimensional islands form at elevated growth temperature.« less

Structure investigations of ferromagnetic Co-Ni-Al alloys obtained by powder metallurgy.

PubMed

Maziarz, W; Dutkiewicz, J; Lityńska-Dobrzyńska, L; Santamarta, R; Cesari, E

2010-03-01

Elemental powders of Co, Ni and Al in the proper amounts to obtain Co(35)Ni(40)Al(25) and Co(40)Ni(35)Al(25) nominal compositions were ball milled in a high-energy mill for 80 h. After 40 h of milling, the formation of a Co (Ni, Al) solid solution with f.c.c. structure was verified by a change of the original lattice parameter and crystallite size. Analytical transmission electron microscopy observations and X-ray diffraction measurements of the final Co (Ni, Al) solid solution showed that the crystallite size scattered from 4 to 8 nm and lattice parameter a = 0.36086 nm. The chemical EDS point analysis of the milled powder particles allowed the calculation of the e/a ratio and revealed a high degree of chemical homogeneity of the powders. Hot pressing in vacuum of the milled powders resulted in obtaining compacts with a density of about 70% of the theoretical one. An additional heat treatment increased the density and induced the martensitic transformation in a parent phase. Selected area diffraction patterns and dark field images obtained from the heat-treated sample revealed small grains around 300 nm in diameter consisting mainly of the ordered gamma phase (gamma'), often appearing as twins, and a small amount of the L1(0) ordered martensite.

Preparation and characterization of undoped and cobalt doped ZnO for antimicrobial use.

PubMed

Stoica, Angelica Oprea; Andronescu, Ecaterina; Ghitulica, Cristina Daniela; Voicu, Georgeta; Grumezescu, Alexandru Mihai; Popa, Marcela; Chifiriuc, Mariana Carmen

2016-08-30

The objective of this study was to carry out the synthesis by sol-gel method of undoped and cobalt doped ZnO, with different cobalt concentrations (0.5-5mol%), using as stabilizer monoethanolamine (MEA) in a molar ratio ZnO:MEA=1:2. The dry gel was thermally treated at 500°C/5h, respectively at 1100°C/30min. All the thermal treated samples were of wurtzite type with an hexagonal structure. The doping with Co(2+) induced change of lattice parameters and of crystallite size, proving the successful interleaving of Co(2+) into the ZnO lattice. From the morphological point of view, the thermal treatment at 1100°C/30min led to a higher degree of compactness of the ZnO granules. At 500°C/5h there were formed polyhedral or spherical nanometric particles (25-50nm) which have been agglomerated into aggregates with sizes over 1μm. From the biological point of view, the quantitative analyses of antimicrobial activity have shown that the ZnO doped with cobalt has inhibited the ability of the Bacillus subtilis and Escherichia coli bacterial strains to colonize the inert substrate and therefore, can be used in the design of new antimicrobial strategies. Copyright © 2015 Elsevier B.V. All rights reserved.

Adsorption of dysprosium on the graphite (0001) surface: Nucleation and growth at 300 K

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

Kwolek, Emma J.; Lii-Rosales, Ann; Department of Chemistry, Iowa State University, Ames, Iowa 50011

2016-12-07

We have studied nucleation and growth of Dy islands on the basal plane of graphite at 300 K using scanning tunneling microscopy, density functional theory (DFT) in a form that includes van der Waals interactions, and analytic theory. The interaction of atomic Dy with graphite is strong, while the diffusion barrier is small. Experiment shows that at 300 K, the density of nucleated islands is close to the value predicted for homogeneous nucleation, using critical nucleus size of 1 and the DFT-derived diffusion barrier. Homogeneous nucleation is also supported by the monomodal shape of the island size distributions. Comparison withmore » the published island density of Dy on graphene shows that the value is about two orders of magnitude smaller on graphite, which can be attributed to more effective charge screening in graphite. The base of each island is 3 atomic layers high and atomically ordered, forming a coincidence lattice with the graphite. Islands resist coalescence, probably due to multiple rotational orientations associated with the coincidence lattice. Upper levels grow as discernible single-atom layers. Analysis of the level populations reveals significant downward interlayer transport, which facilitates growth of the base. This island shape is metastable, since more compact three-dimensional islands form at elevated growth temperature.« less

Recent developments in multidimensional transport methods for the APOLLO 2 lattice code

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

Zmijarevic, I.; Sanchez, R.

1995-12-31

A usual method of preparation of homogenized cross sections for reactor coarse-mesh calculations is based on two-dimensional multigroup transport treatment of an assembly together with an appropriate leakage model and reaction-rate-preserving homogenization technique. The actual generation of assembly spectrum codes based on collision probability methods is capable of treating complex geometries (i.e., irregular meshes of arbitrary shape), thus avoiding the modeling error that was introduced in codes with traditional tracking routines. The power and architecture of current computers allow the treatment of spatial domains comprising several mutually interacting assemblies using fine multigroup structure and retaining all geometric details of interest.more » Increasing safety requirements demand detailed two- and three-dimensional calculations for very heterogeneous problems such as control rod positioning, broken Pyrex rods, irregular compacting of mixed- oxide (MOX) pellets at an MOX-UO{sub 2} interface, and many others. An effort has been made to include accurate multi- dimensional transport methods in the APOLLO 2 lattice code. These include extension to three-dimensional axially symmetric geometries of the general-geometry collision probability module TDT and the development of new two- and three-dimensional characteristics methods for regular Cartesian meshes. In this paper we discuss the main features of recently developed multidimensional methods that are currently being tested.« less

Charmed Hadron Spectrum and Interactions

NASA Astrophysics Data System (ADS)

Liu, Liuming

Studying hadrons containing heavy quarks in lattice QCD is challenging mainly due to finite lattice spacing effects. To control the discretization errors, mQa is required to be much less than 1, where mQ is the quark mass and a is the lattice spacing. For currently accessible lattice spacings, the charm quark mass doesn't satisfy this requirement. One approach to simulate heavy quarks on the lattice is non-relativestic QCD, which treats heavy quark as a static source and expand the lattice quark action in powers of 1mQa . Unfortunately, the charm quark is not heavy enough to justify this expansion. An other is Heavy Quark Effective Theory (HQET) matched on QCD. Non-relativestic QCD and HQET are mainly used for bottom quark. Relativistic heavy-quark action, which incorporates both small mass and large mass formulations, is better suited to study the charm quark sector. The discretization errors can be reduced systematically following Symanzik improvement. In this work, we use the relativistic heavy quark action to study the charmed hadron spectrum and interactions in full lattice QCD. For the light quarks we use domain-wall fermions in the valence sector and improved Kogut-Susskind sea quarks. The parameters in the heavy quark action are tuned to reduce lattice artifacts and match the charm quark mass and the action is tested by calculating the low-lying charmonium spectrum. We compute the masses of the spin-1/2 singly and doubly charmed baryons. For the singly charmed baryons, our results are in good agreement with experiment within our systematics. For the doubly charmed baryon xicc we find the isospin-averaged mass to be MXcc = 3665 +/- 17 +/- 14+0-78 MeV; the three given uncertainties are statistical, systematic and an estimate of lattice discretization errors, respectively. In addition, we predict the mass splitting of the (isospin-averaged) spin-1/2 O cc with the xicc to be MWcc-MXcc = 98 +/- 9 +/- 22 +/- 13 MeV (in this mass splitting, the leading discretization errors are also suppressed by SU(3) symmetry). Combining this splitting with our determination of MXcc leads to our prediction of the spin-1/2 Occ mass, MWcc = 3763 +/- 19 +/- 26+13-79 MeV. We calculate the scattering lengths of the charmed mesons with the light pseudoscalar mesons. The calculation is performed for four different light quark masses and extrapolated to the physical point using chiral perturbation formulas to next-to-next-to-leading order. The low energy constants are determined and used to make predictions. We find relatively strong attractive interaction in DK channels, which is closely related to the structure of DsJ(2317) state. The scattering of charmonium with light hadrons is also studied. Particularly, we find very weak attractive interaction between J/Psi and nucleon, in this channel the dominate interaction is attractive gluonic van der Walls and it could lead to molecular-like bound states.

Functional assessment of four types of disintegrants and their effect on the spironolactone release properties.

PubMed

Rojas, John; Guisao, Santiago; Ruge, Vanesa

2012-12-01

Spironolactone is a drug derived from sterols that exhibits an incomplete oral absorption due to its low water solubility and slow dissolution rate. In this study, formulations of spironolactone with four disintegrants named as croscarmellose sodium, crospovidone, sodium starch glycolate and microcrystalline cellulose II (MCCII) were conducted. The effect of those disintegrants on the tensile strength, disintegration time and dissolution rate of spironolactone-based compacts was evaluated using a factorial design with three categorical factors (filler, lubricant, and disintegrant). The swelling values, water uptake and water sorption studies of these disintegrants all suggested that MCCII compacts disintegrate by a wicking mechanism similar to that of crospovidone, whereas a swelling mechanism was dominant for sodium starch glycolate and croscarmellose sodium. The disintegration time of MCCII and sodium starch glycolate remained unchanged with magnesium stearate. However, this lubricant delayed the disintegration time of crospovidone and croscarmellose sodium. MCCII presented the fastest disintegration time independent of the medium and lubricant employed. The water sorption ratio and swelling values determined sodium starch glycolate followed by croscarmellose sodium as the largest swelling materials, whereas crospovidone and MCCII where the least swelling disintegrants. The swelling property of sodium starch glycolate and croscarmellose sodium was strongly affected by the medium pH. The disintegration time of spironolactone compacts was faster when starch was used as a filler due to the formation of soft compacts. In this case, the type of filler employed rather than the disintegrant had a major effect on the disintegration and dissolution times of spironolactone.

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.

Uniformly rotating, axisymmetric, and triaxial quark stars in general relativity

NASA Astrophysics Data System (ADS)

Zhou, Enping; Tsokaros, Antonios; Rezzolla, Luciano; Xu, Renxin; Uryū, Kōji

2018-01-01

Quasiequilibrium models of uniformly rotating axisymmetric and triaxial quark stars are computed in a general-relativistic gravity scenario. The Isenberg-Wilson-Mathews (IWM) formulation is employed and the Compact Object Calculator (cocal) code is extended to treat rotating stars with finite surface density and new equations of state (EOSs). Besides the MIT bag model for quark matter which is composed of deconfined quarks, we examine a new EOS proposed by Lai and Xu that is based on quark clustering and results in a stiff EOS that can support masses up to 3.3 M⊙ in the case we considered. We perform convergence tests for our new code to evaluate the effect of finite surface density in the accuracy of our solutions and construct sequences of solutions for both small and high compactness. The onset of secular instability due to viscous dissipation is identified and possible implications are discussed. An estimate of the gravitational wave amplitude and luminosity based on quadrupole formulas is presented and comparison with neutron stars is discussed.