A parallel computer implementation of fast low-rank QR approximation of the Biot-Savart law

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

White, D A; Fasenfest, B J; Stowell, M L

2005-11-07

In this paper we present a low-rank QR method for evaluating the discrete Biot-Savart law on parallel computers. It is assumed that the known current density and the unknown magnetic field are both expressed in a finite element expansion, and we wish to compute the degrees-of-freedom (DOF) in the basis function expansion of the magnetic field. The matrix that maps the current DOF to the field DOF is full, but if the spatial domain is properly partitioned the matrix can be written as a block matrix, with blocks representing distant interactions being low rank and having a compressed QR representation.more » The matrix partitioning is determined by the number of processors, the rank of each block (i.e. the compression) is determined by the specific geometry and is computed dynamically. In this paper we provide the algorithmic details and present computational results for large-scale computations.« less

Processing and properties of SiC whisker reinforced Si sub 3 N sub 4 ceramic matrix composites

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

Nunn, S.D.

1991-01-01

Silicon carbide whiskers reinforced silicon nitride ceramic matrix composites were pressureless sintered to high density by liquid phase sintering. Important processing parameters included: whisker dispersion by ultrasonic shear homogenization, particle refinement by attrition milling, pressure slip casting to obtain high greed densities, and sintering in a protective powder bed to limit decomposition. Composites with a {beta}20-Si{sub 3}N{sub 4} solid solution matrix containing 20 vol.% SiC whiskers were sintered to 98-100% theoretical density; composites having a Si{sub 3}N{sub 4} matrix containing YAG sintering aid were sintered to 98% of the theoretical density with 20 vol.% SiC whiskers, and 94% density withmore » 30 vol.% SiC whiskers. Analysis of the pressureless sintered composites revealed orientation of the SiC whiskers and the Si{sub 3}N{sub 4} matrix grains. The mechanical properties of hot pressed Si{sub 3}N{sub 4} composites reinforced with 20 vol.% SiC whiskers were shown to depend on the characteristics of the intergranular phase. Variations in the properties of the composites were analyzed in terms of the amount and morphology of the secondary phase, and the development of internal residual stresses due to the thermal expansion mismatch between the sintering aid phase at the grain boundaries.« less

Density-functional expansion methods: Grand challenges.

PubMed

Giese, Timothy J; York, Darrin M

2012-03-01

We discuss the source of errors in semiempirical density functional expansion (VE) methods. In particular, we show that VE methods are capable of well-reproducing their standard Kohn-Sham density functional method counterparts, but suffer from large errors upon using one or more of these approximations: the limited size of the atomic orbital basis, the Slater monopole auxiliary basis description of the response density, and the one- and two-body treatment of the core-Hamiltonian matrix elements. In the process of discussing these approximations and highlighting their symptoms, we introduce a new model that supplements the second-order density-functional tight-binding model with a self-consistent charge-dependent chemical potential equalization correction; we review our recently reported method for generalizing the auxiliary basis description of the atomic orbital response density; and we decompose the first-order potential into a summation of additive atomic components and many-body corrections, and from this examination, we provide new insights and preliminary results that motivate and inspire new approximate treatments of the core-Hamiltonian.

Alternative dimensional reduction via the density matrix

NASA Astrophysics Data System (ADS)

de Carvalho, C. A.; Cornwall, J. M.; da Silva, A. J.

2001-07-01

We give graphical rules, based on earlier work for the functional Schrödinger equation, for constructing the density matrix for scalar and gauge fields in equilibrium at finite temperature T. More useful is a dimensionally reduced effective action (DREA) constructed from the density matrix by further functional integration over the arguments of the density matrix coupled to a source. The DREA is an effective action in one less dimension which may be computed order by order in perturbation theory or by dressed-loop expansions; it encodes all thermal matrix elements. We term the DREA procedure alternative dimensional reduction, to distinguish it from the conventional dimensionally reduced field theory (DRFT) which applies at infinite T. The DREA is useful because it gives a dimensionally reduced theory usable at any T including infinity, where it yields the DRFT, and because it does not and cannot have certain spurious infinities which sometimes occur in the density matrix itself or the conventional DRFT; these come from ln T factors at infinite temperature. The DREA can be constructed to all orders (in principle) and the only regularizations needed are those which control the ultraviolet behavior of the zero-T theory. An example of spurious divergences in the DRFT occurs in d=2+1φ4 theory dimensionally reduced to d=2. We study this theory and show that the rules for the DREA replace these ``wrong'' divergences in physical parameters by calculable powers of ln T; we also compute the phase transition temperature of this φ4 theory in one-loop order. Our density-matrix construction is equivalent to a construction of the Landau-Ginzburg ``coarse-grained free energy'' from a microscopic Hamiltonian.

Multipolar Ewald methods, 1: theory, accuracy, and performance.

PubMed

Giese, Timothy J; Panteva, Maria T; Chen, Haoyuan; York, Darrin M

2015-02-10

The Ewald, Particle Mesh Ewald (PME), and Fast Fourier–Poisson (FFP) methods are developed for systems composed of spherical multipole moment expansions. A unified set of equations is derived that takes advantage of a spherical tensor gradient operator formalism in both real space and reciprocal space to allow extension to arbitrary multipole order. The implementation of these methods into a novel linear-scaling modified “divide-and-conquer” (mDC) quantum mechanical force field is discussed. The evaluation times and relative force errors are compared between the three methods, as a function of multipole expansion order. Timings and errors are also compared within the context of the quantum mechanical force field, which encounters primary errors related to the quality of reproducing electrostatic forces for a given density matrix and secondary errors resulting from the propagation of the approximate electrostatics into the self-consistent field procedure, which yields a converged, variational, but nonetheless approximate density matrix. Condensed-phase simulations of an mDC water model are performed with the multipolar PME method and compared to an electrostatic cutoff method, which is shown to artificially increase the density of water and heat of vaporization relative to full electrostatic treatment.

Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport.

PubMed

Xie, Hang; Kwok, Yanho; Jiang, Feng; Zheng, Xiao; Chen, GuanHua

2014-10-28

Based on the complex absorbing potential (CAP) method, a Lorentzian expansion scheme is developed to express the self-energy. The CAP-based Lorentzian expansion of self-energy is employed to solve efficiently the Liouville-von Neumann equation of one-electron density matrix. The resulting method is applicable for both tight-binding and first-principles models and is used to simulate the transient currents through graphene nanoribbons and a benzene molecule sandwiched between two carbon-atom chains.

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.

PubMed

Cawkwell, M J; Sanville, E J; Mniszewski, S M; Niklasson, Anders M N

2012-11-13

The self-consistent solution of a Schrödinger-like equation for the density matrix is a critical and computationally demanding step in quantum-based models of interatomic bonding. This step was tackled historically via the diagonalization of the Hamiltonian. We have investigated the performance and accuracy of the second-order spectral projection (SP2) algorithm for the computation of the density matrix via a recursive expansion of the Fermi operator in a series of generalized matrix-matrix multiplications. We demonstrate that owing to its simplicity, the SP2 algorithm [Niklasson, A. M. N. Phys. Rev. B2002, 66, 155115] is exceptionally well suited to implementation on graphics processing units (GPUs). The performance in double and single precision arithmetic of a hybrid GPU/central processing unit (CPU) and full GPU implementation of the SP2 algorithm exceed those of a CPU-only implementation of the SP2 algorithm and traditional matrix diagonalization when the dimensions of the matrices exceed about 2000 × 2000. Padding schemes for arrays allocated in the GPU memory that optimize the performance of the CUBLAS implementations of the level 3 BLAS DGEMM and SGEMM subroutines for generalized matrix-matrix multiplications are described in detail. The analysis of the relative performance of the hybrid CPU/GPU and full GPU implementations indicate that the transfer of arrays between the GPU and CPU constitutes only a small fraction of the total computation time. The errors measured in the self-consistent density matrices computed using the SP2 algorithm are generally smaller than those measured in matrices computed via diagonalization. Furthermore, the errors in the density matrices computed using the SP2 algorithm do not exhibit any dependence of system size, whereas the errors increase linearly with the number of orbitals when diagonalization is employed.

Nonlinear optical microscopy reveals invading endothelial cells anisotropically alter three-dimensional collagen matrices

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

Lee, P.-F.; Yeh, Alvin T.; Bayless, Kayla J.

The interactions between endothelial cells (ECs) and the extracellular matrix (ECM) are fundamental in mediating various steps of angiogenesis, including cell adhesion, migration and sprout formation. Here, we used a noninvasive and non-destructive nonlinear optical microscopy (NLOM) technique to optically image endothelial sprouting morphogenesis in three-dimensional (3D) collagen matrices. We simultaneously captured signals from collagen fibers and endothelial cells using second harmonic generation (SHG) and two-photon excited fluorescence (TPF), respectively. Dynamic 3D imaging revealed EC interactions with collagen fibers along with quantifiable alterations in collagen matrix density elicited by EC movement through and morphogenesis within the matrix. Specifically, we observedmore » increased collagen density in the area between bifurcation points of sprouting structures and anisotropic increases in collagen density around the perimeter of lumenal structures, but not advancing sprout tips. Proteinase inhibition studies revealed membrane-associated matrix metalloproteinase were utilized for sprout advancement and lumen expansion. Rho-associated kinase (p160ROCK) inhibition demonstrated that the generation of cell tension increased collagen matrix alterations. This study followed sprouting ECs within a 3D matrix and revealed that the advancing structures recognize and significantly alter their extracellular environment at the periphery of lumens as they progress.« less

Reexamination of relaxation of spins due to a magnetic field gradient: Identity of the Redfield and Torrey theories

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

Golub, R.; Rohm, Ryan M.; Swank, C. M.

2011-02-15

There is an extensive literature on magnetic-gradient-induced spin relaxation. Cates, Schaefer, and Happer, in a seminal publication, have solved the problem in the regime where diffusion theory (the Torrey equation) is applicable using an expansion of the density matrix in diffusion equation eigenfunctions and angular momentum tensors. McGregor has solved the problem in the same regime using a slightly more general formulation using the Redfield theory formulated in terms of the autocorrelation function of the fluctuating field seen by the spins and calculating the correlation functions using the diffusion-theory Green's function. The results of both calculations were shown to agreemore » for a special case. In the present work, we show that the eigenfunction expansion of the Torrey equation yields the expansion of the Green's function for the diffusion equation, thus showing the identity of this approach with that of the Redfield theory. The general solution can also be obtained directly from the Torrey equation for the density matrix. Thus, the physical content of the Redfield and Torrey approaches are identical. We then introduce a more general expression for the position autocorrelation function of particles moving in a closed cell, extending the range of applicability of the theory.« less

Performance of the density matrix functional theory in the quantum theory of atoms in molecules.

PubMed

García-Revilla, Marco; Francisco, E; Costales, A; Martín Pendás, A

2012-02-02

The generalization to arbitrary molecular geometries of the energetic partitioning provided by the atomic virial theorem of the quantum theory of atoms in molecules (QTAIM) leads to an exact and chemically intuitive energy partitioning scheme, the interacting quantum atoms (IQA) approach, that depends on the availability of second-order reduced density matrices (2-RDMs). This work explores the performance of this approach in particular and of the QTAIM in general with approximate 2-RDMs obtained from the density matrix functional theory (DMFT), which rests on the natural expansion (natural orbitals and their corresponding occupation numbers) of the first-order reduced density matrix (1-RDM). A number of these functionals have been implemented in the promolden code and used to perform QTAIM and IQA analyses on several representative molecules and model chemical reactions. Total energies, covalent intra- and interbasin exchange-correlation interactions, as well as localization and delocalization indices have been determined with these functionals from 1-RDMs obtained at different levels of theory. Results are compared to the values computed from the exact 2-RDMs, whenever possible.

Microscopically based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization

NASA Astrophysics Data System (ADS)

Stoitsov, M.; Kortelainen, M.; Bogner, S. K.; Duguet, T.; Furnstahl, R. J.; Gebremariam, B.; Schunck, N.

2010-11-01

In a recent series of articles, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the density matrix expansion (DME) to the Hartree-Fock energy obtained from chiral effective field theory two- and three-nucleon interactions. Owing to the structure of the chiral interactions, each coupling in the DME functional is given as the sum of a coupling constant arising from zero-range contact interactions and a coupling function of the density arising from the finite-range pion exchanges. Because the contact contributions have essentially the same structure as those entering empirical Skyrme functionals, a microscopically guided Skyrme phenomenology has been suggested in which the contact terms in the DME functional are released for optimization to finite-density observables to capture short-range correlation energy contributions from beyond Hartree-Fock. The present article is the first attempt to assess the ability of the newly suggested DME functional, which has a much richer set of density dependencies than traditional Skyrme functionals, to generate sensible and stable results for nuclear applications. The results of the first proof-of-principle calculations are given, and numerous practical issues related to the implementation of the new functional in existing Skyrme codes are discussed. Using a restricted singular value decomposition optimization procedure, it is found that the new DME functional gives numerically stable results and exhibits a small but systematic reduction of our test χ2 function compared to standard Skyrme functionals, thus justifying its suitability for future global optimizations and large-scale calculations.

Performance of low-rank QR approximation of the finite element Biot-Savart law

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

White, D; Fasenfest, B

2006-10-16

In this paper we present a low-rank QR method for evaluating the discrete Biot-Savart law. Our goal is to develop an algorithm that is easily implemented on parallel computers. It is assumed that the known current density and the unknown magnetic field are both expressed in a finite element expansion, and we wish to compute the degrees-of-freedom (DOF) in the basis function expansion of the magnetic field. The matrix that maps the current DOF to the field DOF is full, but if the spatial domain is properly partitioned the matrix can be written as a block matrix, with blocks representingmore » distant interactions being low rank and having a compressed QR representation. While an octree partitioning of the matrix may be ideal, for ease of parallel implementation we employ a partitioning based on number of processors. The rank of each block (i.e. the compression) is determined by the specific geometry and is computed dynamically. In this paper we provide the algorithmic details and present computational results for large-scale computations.« less

Thermal expansion of selected graphite reinforced polyimide-, epoxy-, and glass-matrix composite

NASA Technical Reports Server (NTRS)

Tompkins, S. S.

1985-01-01

The thermal expansion of three epoxy-matrix composites, a polyimide-matrix composite and a borosilicate glass-matrix composite, each reinforced with continuous carbon fibers, has been measured and compared. The expansion of a composite with a rubber toughened epoxy-matrix and P75S carbon fibers was very different from the expansion of two different single phase epoxy-matrix composites with P75S fibers although all three had the same stacking sequence. Reasonable agreement was obtained between measured thermal-expansion data and results from classical laminate theory. The thermal expansion of a material may change markedly as a result of thermal cycling. Microdamage, induced by 250 cycles between -156 C and 121 C in the graphite/polyimide laminate, caused a 53 percent decrease in the coefficient of thermal expansion. The thermal expansion of the graphite/glass laminate was not changed by 100 thermal cycles from -129 C to 38 C; however, a residual strain of about 10 x 10 to the minus 6 power was measured for the laminate tested.

Tunable Volumetric Density and Porous Structure of Spherical Poly-ε-caprolactone Microcarriers, as Applied in Human Mesenchymal Stem Cell Expansion.

PubMed

Li, Jian; Lam, Alan Tin-Lun; Toh, Jessica Pei Wen; Reuveny, Shaul; Oh, Steve Kah-Weng; Birch, William R

2017-03-28

Polymeric microspheres may serve as microcarrier (MC) matrices, for the expansion of anchorage-dependent stem cells. They require surface properties that promote both initial cell adhesion and the subsequent spreading of cells, which is a prerequisite for successful expansion. When implemented in a three-dimensional culture environment, under agitation, their suspension under low shear rates depends on the MCs having a modest negative buoyancy, with a density of 1.02-1.05 g/cm 3 . Bioresorbable poly-ε-caprolactone (PCL), with a density of 1.14 g/cm 3 , requires a reduction in volumetric density, for the microspheres to achieve high cell viability and yields. Uniform-sized droplets, from solutions of PCL dissolved in dichloromethane (DCM), were generated by coaxial microfluidic geometry. Subsequent exposure to ethanol rapidly extracted the DCM solvent, solidifying the droplets and yielding monodisperse microspheres with a porous structure, which was demonstrated to have tunable porosity and a hollow inner core. The variation in process parameters, including the molecular weight of PCL, its concentration in DCM, and the ethanol concentration, served to effectively alter the diffusion flux between ethanol and DCM, resulting in a broad spectrum of volumetric densities of 1.04-1.11 g/cm 3 . The solidified microspheres are generally covered by a smooth thin skin, which provides a uniform cell culture surface and masks their internal porous structure. When coated with a cationic polyelectrolyte and extracellular matrix protein, monodisperse microspheres with a diameter of approximately 150 μm and densities ranging from 1.05-1.11 g/cm 3 are capable of supporting the expansion of human mesenchymal stem cells (hMSCs). Validation of hMSC expansion was carried out with a positive control of commercial Cytodex 3 MCs and a negative control of uncoated low-density PCL MCs. Static culture conditions generated more than 70% cell attachment and similar yields of sixfold cell expansion on all coated MCs, with poor cell attachment and growth on the negative control. Under agitation, coated porous microspheres, with a low density of 1.05 g/cm 3 , achieved robust cell attachment and resulted in high cell yields of ninefold cell expansion, comparable with those generated by commercial Cytodex 3 MCs.

Solvable Hydrodynamics of Quantum Integrable Systems

NASA Astrophysics Data System (ADS)

Bulchandani, Vir B.; Vasseur, Romain; Karrasch, Christoph; Moore, Joel E.

2017-12-01

The conventional theory of hydrodynamics describes the evolution in time of chaotic many-particle systems from local to global equilibrium. In a quantum integrable system, local equilibrium is characterized by a local generalized Gibbs ensemble or equivalently a local distribution of pseudomomenta. We study time evolution from local equilibria in such models by solving a certain kinetic equation, the "Bethe-Boltzmann" equation satisfied by the local pseudomomentum density. Explicit comparison with density matrix renormalization group time evolution of a thermal expansion in the XXZ model shows that hydrodynamical predictions from smooth initial conditions can be remarkably accurate, even for small system sizes. Solutions are also obtained in the Lieb-Liniger model for free expansion into vacuum and collisions between clouds of particles, which model experiments on ultracold one-dimensional Bose gases.

Short interval expansion of Rényi entropy on torus

NASA Astrophysics Data System (ADS)

Chen, Bin; Wu, Jun-Bao; Zhang, Jia-ju

2016-08-01

We investigate the short interval expansion of the Rényi entropy for two-dimensional conformal field theory (CFT) on a torus. We require the length of the interval ℓ to be small with respect to the spatial and temporal sizes of the torus. The operator product expansion of the twist operators allows us to compute the short interval expansion of the Rényi entropy at any temperature. In particular, we pay special attention to the large c CFTs dual to the AdS3 gravity and its cousins. At both low and high temperature limits, we read the Rényi entropies to order ℓ6, and find good agreements with holographic results. Moreover, the expansion allows us to read 1 /c contribution, which is hard to get by expanding the thermal density matrix. We generalize the study to the case with the chemical potential as well.

A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions

NASA Astrophysics Data System (ADS)

van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

2018-03-01

Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH4, NH3, H2O, FH, and N2) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

Absorption, scattering, and radiation force efficiencies in the longitudinal wave scattering by a small viscoelastic particle in an isotropic solid.

PubMed

Lopes, J H; Leão-Neto, J P; Silva, G T

2017-11-01

Analytical expressions of the absorption, scattering, and elastic radiation force efficiency factors are derived for the longitudinal plane wave scattering by a small viscoelastic particle in a lossless solid matrix. The particle is assumed to be much smaller than the incident wavelength, i.e., the so-called long-wavelength (Rayleigh) approximation. The efficiencies are dimensionless quantities that represent the absorbed and scattering powers and the elastic radiation force on the particle. In the quadrupole approximation, they are expressed in terms of contrast functions (bulk and shear moduli, and density) between the particle and solid matrix. The results for a high-density polyethylene particle embedded in an aluminum matrix agree with those obtained with the partial wave expansion method. Additionally, the connection between the elastic radiation force and forward scattering function is established through the optical theorem. The present results should be useful for ultrasound characterization of particulate composites, and the development of implanted devices activated by radiation force.

Grid-free density functional calculations on periodic systems.

PubMed

Varga, Stefan

2007-09-21

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xalpha exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

Grid-free density functional calculations on periodic systems

NASA Astrophysics Data System (ADS)

Varga, Štefan

2007-09-01

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xα exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

Comparing contribution of flexural and planar modes to thermodynamic properties

NASA Astrophysics Data System (ADS)

Mann, Sarita; Rani, Pooja; Jindal, V. K.

2017-05-01

Graphene, the most studied and explored 2D structure has unusual thermal properties such as negative thermal expansion, high thermal conductivity etc. We have already studied the thermal expansion behavior and various thermodynamic properties of pure graphene like heat capacity, entropy and free energy. The results of thermal expansion and various thermodynamic properties match well with available theoretical studies. For a deeper understanding of these properties, we analyzed the contribution of each phonon branch towards the total value of the individual property. To compute these properties, the dynamical matrix was calculated using VASP code where the density functional perturbation theory (DFPT) is employed under quasi-harmonic approximation in interface with phonopy code. It is noticed that transverse mode has major contribution to negative thermal expansion and all branches have almost same contribution towards the various thermodynamic properties with the contribution of ZA mode being the highest.

Bayesian estimation of Karhunen–Loève expansions; A random subspace approach

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

Chowdhary, Kenny; Najm, Habib N.

One of the most widely-used statistical procedures for dimensionality reduction of high dimensional random fields is Principal Component Analysis (PCA), which is based on the Karhunen-Lo eve expansion (KLE) of a stochastic process with finite variance. The KLE is analogous to a Fourier series expansion for a random process, where the goal is to find an orthogonal transformation for the data such that the projection of the data onto this orthogonal subspace is optimal in the L 2 sense, i.e, which minimizes the mean square error. In practice, this orthogonal transformation is determined by performing an SVD (Singular Value Decomposition)more » on the sample covariance matrix or on the data matrix itself. Sampling error is typically ignored when quantifying the principal components, or, equivalently, basis functions of the KLE. Furthermore, it is exacerbated when the sample size is much smaller than the dimension of the random field. In this paper, we introduce a Bayesian KLE procedure, allowing one to obtain a probabilistic model on the principal components, which can account for inaccuracies due to limited sample size. The probabilistic model is built via Bayesian inference, from which the posterior becomes the matrix Bingham density over the space of orthonormal matrices. We use a modified Gibbs sampling procedure to sample on this space and then build a probabilistic Karhunen-Lo eve expansions over random subspaces to obtain a set of low-dimensional surrogates of the stochastic process. We illustrate this probabilistic procedure with a finite dimensional stochastic process inspired by Brownian motion.« less

Bayesian estimation of Karhunen–Loève expansions; A random subspace approach

DOE PAGES

Chowdhary, Kenny; Najm, Habib N.

2016-04-13

One of the most widely-used statistical procedures for dimensionality reduction of high dimensional random fields is Principal Component Analysis (PCA), which is based on the Karhunen-Lo eve expansion (KLE) of a stochastic process with finite variance. The KLE is analogous to a Fourier series expansion for a random process, where the goal is to find an orthogonal transformation for the data such that the projection of the data onto this orthogonal subspace is optimal in the L 2 sense, i.e, which minimizes the mean square error. In practice, this orthogonal transformation is determined by performing an SVD (Singular Value Decomposition)more » on the sample covariance matrix or on the data matrix itself. Sampling error is typically ignored when quantifying the principal components, or, equivalently, basis functions of the KLE. Furthermore, it is exacerbated when the sample size is much smaller than the dimension of the random field. In this paper, we introduce a Bayesian KLE procedure, allowing one to obtain a probabilistic model on the principal components, which can account for inaccuracies due to limited sample size. The probabilistic model is built via Bayesian inference, from which the posterior becomes the matrix Bingham density over the space of orthonormal matrices. We use a modified Gibbs sampling procedure to sample on this space and then build a probabilistic Karhunen-Lo eve expansions over random subspaces to obtain a set of low-dimensional surrogates of the stochastic process. We illustrate this probabilistic procedure with a finite dimensional stochastic process inspired by Brownian motion.« less

Efficient propagation-inside-layer expansion algorithm for solving the scattering from three-dimensional nested homogeneous dielectric bodies with arbitrary shape.

PubMed

Bellez, Sami; Bourlier, Christophe; Kubické, Gildas

2015-03-01

This paper deals with the evaluation of electromagnetic scattering from a three-dimensional structure consisting of two nested homogeneous dielectric bodies with arbitrary shape. The scattering problem is formulated in terms of a set of Poggio-Miller-Chang-Harrington-Wu integral equations that are afterwards converted into a system of linear equations (impedance matrix equation) by applying the Galerkin method of moments (MoM) with Rao-Wilton-Glisson basis functions. The MoM matrix equation is then solved by deploying the iterative propagation-inside-layer expansion (PILE) method in order to obtain the unknown surface current densities, which are thereafter used to handle the radar cross-section (RCS) patterns. Some numerical results for various structures including canonical geometries are presented and compared with those of the FEKO software in order to validate the PILE-based approach as well as to show its efficiency to analyze the full-polarized RCS patterns.

Physical aging and its influence on the reliability of network epoxies and epoxy-matrix composites

NASA Technical Reports Server (NTRS)

Heinemann, K.

1983-01-01

The matrix-dominated physical and mechanical properties of a carbon fiber reinforced epoxy composite and a neat epoxy resin were found to be affected by sub-Tg annealing in nitrogen and dark atmosphere. Postcured specimens of Thornel 300 carbon-fiber/Fiberite 934 epoxy as well as Fiberite 934 epoxy resin were quenched from above Tg and given annealing at 140 C, 110 C, or 80 C, for time up to one-hundred thousand minutes. No weight loss was observed during annealing at these temperatures. Significant variations were found in density, modulus, hardness, damping, moisture absorption ability, thermal expansivity. Moisture-epoxy interactious were also studied. The kinetics of aging as well as the molecular aggregation during this densification process were monitored by differential scanning calorimetry, dynamic mechanical analysis, density gradient column, microhardness tester, Instron, and solid-state nuclear magnetic resonance spectroscopy.

Mesenchymal stem cell-derived extracellular matrix enhances chondrogenic phenotype of and cartilage formation by encapsulated chondrocytes in vitro and in vivo.

PubMed

Yang, Yuanheng; Lin, Hang; Shen, He; Wang, Bing; Lei, Guanghua; Tuan, Rocky S

2018-03-15

Mesenchymal stem cell derived extracellular matrix (MSC-ECM) is a natural biomaterial with robust bioactivity and good biocompatibility, and has been studied as a scaffold for tissue engineering. In this investigation, we tested the applicability of using decellularized human bone marrow derived MSC-ECM (hBMSC-ECM) as a culture substrate for chondrocyte expansion in vitro, as well as a scaffold for chondrocyte-based cartilage repair. hBMSC-ECM deposited by hBMSCs cultured on tissue culture plastic (TCP) was harvested, and then subjected to a decellularization process to remove hBMSCs. Compared with chondrocytes grown on TCP, chondrocytes seeded onto hBMSC-ECM exhibited significantly increased proliferation rate, and maintained better chondrocytic phenotype than TCP group. After being expanded to the same cell number and placed in high-density micromass cultures, chondrocytes from the ECM group showed better chondrogenic differentiation profile than those from the TCP group. To test cartilage formation ability, composites of hBMSC-ECM impregnated with chondrocytes were subjected to brief trypsin treatment to allow cell-mediated contraction, and folded to form 3-dimensional chondrocyte-impregnated hBMSC-ECM (Cell/ECM constructs). Upon culture in vitro in chondrogenic medium for 21 days, robust cartilage formation was observed in the Cell/ECM constructs. Similarly prepared Cell/ECM constructs were tested in vivo by subcutaneous implantation into SCID mice. Prominent cartilage formation was observed in the implanted Cell/ECM constructs 14 days post-implantation, with higher sGAG deposition compared to controls consisting of chondrocyte cell sheets. Taken together, these findings demonstrate that hBMSC-ECM is a superior culture substrate for chondrocyte expansion and a bioactive matrix potentially applicable for cartilage regeneration in vivo. Current cell-based treatments for focal cartilage defects face challenges, including chondrocyte dedifferentiation, need for xenogenic scaffolds, and suboptimal cartilage formation. We present here a novel technique that utilizes adult stem cell-derived extracellular matrix, as a culture substrate and/or encapsulation scaffold for human adult chondrocytes, for the repair of cartilage defects. Chondrocytes cultured in stem cell-derived matrix showed higher proliferation, better chondrocytic phenotype, and improved redifferentiation ability upon in vitro culture expansion. Most importantly, 3-dimensional constructs formed from chondrocytes folded within stem cell matrix manifested excellent cartilage formation both in vitro and in vivo. These findings demonstrate the suitability of stem cell-derived extracellular matrix as a culture substrate for chondrocyte expansion as well as a candidate bioactive matrix for cartilage regeneration. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The Dielectric Permittivity of Crystals in the Reduced Hartree-Fock Approximation

NASA Astrophysics Data System (ADS)

Cancès, Éric; Lewin, Mathieu

2010-07-01

In a recent article (Cancès et al. in Commun Math Phys 281:129-177, 2008), we have rigorously derived, by means of bulk limit arguments, a new variational model to describe the electronic ground state of insulating or semiconducting crystals in the presence of local defects. In this so-called reduced Hartree-Fock model, the ground state electronic density matrix is decomposed as {γ = γ^0_per + Q_{ν,\\varepsilon_F}}, where {γ^0_per} is the ground state density matrix of the host crystal and {Q_{ν,\\varepsilon_F}} the modification of the electronic density matrix generated by a modification ν of the nuclear charge of the host crystal, the Fermi level ɛ F being kept fixed. The purpose of the present article is twofold. First, we study in more detail the mathematical properties of the density matrix {Q_{ν,\\varepsilon_F}} (which is known to be a self-adjoint Hilbert-Schmidt operator on {L^2(mathbb{R}^3)}). We show in particular that if {int_{mathbb{R}^3} ν neq 0, Q_{ν,\\varepsilon_F}} is not trace-class. Moreover, the associated density of charge is not in {L^1(mathbb{R}^3)} if the crystal exhibits anisotropic dielectric properties. These results are obtained by analyzing, for a small defect ν, the linear and nonlinear terms of the resolvent expansion of {Q_{ν,\\varepsilon_F}}. Second, we show that, after an appropriate rescaling, the potential generated by the microscopic total charge (nuclear plus electronic contributions) of the crystal in the presence of the defect converges to a homogenized electrostatic potential solution to a Poisson equation involving the macroscopic dielectric permittivity of the crystal. This provides an alternative (and rigorous) derivation of the Adler-Wiser formula.

The effect of process parameters in Aluminum Metal Matrix Composites with Powder Metallurgy

NASA Astrophysics Data System (ADS)

Vani, Vemula Vijaya; Chak, Sanjay Kumar

2018-06-01

Metal Matrix Composites are developed in recent years as an alternative over conventional engineering materials due to their improved properties. Among all, Aluminium Matrix Composites (AMCs) are increasing their demand due to low density, high strength-to-weight ratio, high toughness, corrosion resistance, higher stiffness, improved wear resistance, increased creep resistance, low co-efficient of thermal expansion, improved high temperature properties. Major applications of these materials have been in aerospace, automobile, military. There are different processing techniques for the fabrication of AMCs. Powder metallurgy is a one of the most promising and versatile routes for fabrication of particle reinforced AMCs as compared to other manufacturing methods. This method ensures the good wettability between matrix and reinforcement, homogeneous microstructure of the fabricated MMC, and prevents the formation of any undesirable phases. This article addresses mainly on the effect of process parameters like sintering time, temperature and particle size on the microstructure of aluminum metal matrix composites.

Atomic-Scale Control of Silicon Expansion Space as Ultrastable Battery Anodes.

PubMed

Zhu, Jian; Wang, Tao; Fan, Fengru; Mei, Lin; Lu, Bingan

2016-09-27

Development of electrode materials with high capability and long cycle life are central issues for lithium-ion batteries (LIBs). Here, we report an architecture of three-dimensional (3D) flexible silicon and graphene/carbon nanofibers (FSiGCNFs) with atomic-scale control of the expansion space as the binder-free anode for flexible LIBs. The FSiGCNFs with Si nanoparticles surrounded by accurate and controllable void spaces ensure excellent mechanical strength and afford sufficient space to overcome the damage caused by the volume expansion of Si nanoparticles during charge and discharge processes. This 3D porous structure possessing built-in void space between the Si and graphene/carbon matrix not only limits most solid-electrolyte interphase formation to the outer surface, instead of on the surface of individual NPs, and increases its stability but also achieves highly efficient channels for the fast transport of both electrons and lithium ions during cycling, thus offering outstanding electrochemical performance (2002 mAh g(-1) at a current density of 700 mA g(-1) over 1050 cycles corresponding to 3840 mAh g(-1) for silicon alone and 582 mAh g(-1) at the highest current density of 28 000 mA g(-1)).

Exact stochastic unraveling of an optical coherence dynamics by cumulant expansion

NASA Astrophysics Data System (ADS)

Olšina, Jan; Kramer, Tobias; Kreisbeck, Christoph; Mančal, Tomáš

2014-10-01

A numerically exact Monte Carlo scheme for calculation of open quantum system dynamics is proposed and implemented. The method consists of a Monte Carlo summation of a perturbation expansion in terms of trajectories in Liouville phase-space with respect to the coupling between the excited states of the molecule. The trajectories are weighted by a complex decoherence factor based on the second-order cumulant expansion of the environmental evolution. The method can be used with an arbitrary environment characterized by a general correlation function and arbitrary coupling strength. It is formally exact for harmonic environments, and it can be used with arbitrary temperature. Time evolution of an optically excited Frenkel exciton dimer representing a molecular exciton interacting with a charge transfer state is calculated by the proposed method. We calculate the evolution of the optical coherence elements of the density matrix and linear absorption spectrum, and compare them with the predictions of standard simulation methods.

Regenerator filled with a matrix of polycrystalline iron whiskers

NASA Astrophysics Data System (ADS)

Eder, F. X.; Appel, H.

1982-08-01

In thermal regenerators, parameters were optimized: convection coefficient, surface of heat accumulating matrix, matrix density and heat capacity, and frequency of cycle inversions. The variation of heat capacity with working temperature was also computed. Polycrystalline iron whiskers prove a good compromise as matrix for heat regenerators at working temperatures ranging from 300 to 80 K. They were compared with wire mesh screens and microspheres of bronze and stainless steel. For theses structures and materials, thermal conductivity, pressure drop, heat transfer and yield were calculated and related to the experimental values. As transport heat gas, helium, argon, and dry nitrogen were applied at pressures up to 20 bar. Experimental and theoretical studies result in a set of formulas for calculating pressure drop, heat capacity, and heat transfer rate for a given thermal regenerator in function of mass flow. It is proved that a whisker matrix has an efficiency that depends strongly on gas pressure and composition. Iron whiskers make a good matrix with heat capacities of kW/cu cm per K, but their relative high pressure drop may, at low pressures, be a limitation. A regenerator expansion machine is described.

Physical and Mechanical Properties of LoVAR: A New Lightweight Particle-Reinforced Fe-36Ni Alloy

NASA Technical Reports Server (NTRS)

Stephenson, Timothy; Tricker, David; Tarrant, Andrew; Michel, Robert; Clune, Jason

2015-01-01

Fe-36Ni is an alloy of choice for low thermal expansion coefficient (CTE) for optical, instrument and electrical applications in particular where dimensional stability is critical. This paper outlines the development of a particle-reinforced Fe-36Ni alloy that offers reduced density and lower CTE compared to the matrix alloy. A summary of processing capability will be given relating the composition and microstructure to mechanical and physical properties.

Probabilistic homogenization of random composite with ellipsoidal particle reinforcement by the iterative stochastic finite element method

NASA Astrophysics Data System (ADS)

Sokołowski, Damian; Kamiński, Marcin

2018-01-01

This study proposes a framework for determination of basic probabilistic characteristics of the orthotropic homogenized elastic properties of the periodic composite reinforced with ellipsoidal particles and a high stiffness contrast between the reinforcement and the matrix. Homogenization problem, solved by the Iterative Stochastic Finite Element Method (ISFEM) is implemented according to the stochastic perturbation, Monte Carlo simulation and semi-analytical techniques with the use of cubic Representative Volume Element (RVE) of this composite containing single particle. The given input Gaussian random variable is Young modulus of the matrix, while 3D homogenization scheme is based on numerical determination of the strain energy of the RVE under uniform unit stretches carried out in the FEM system ABAQUS. The entire series of several deterministic solutions with varying Young modulus of the matrix serves for the Weighted Least Squares Method (WLSM) recovery of polynomial response functions finally used in stochastic Taylor expansions inherent for the ISFEM. A numerical example consists of the High Density Polyurethane (HDPU) reinforced with the Carbon Black particle. It is numerically investigated (1) if the resulting homogenized characteristics are also Gaussian and (2) how the uncertainty in matrix Young modulus affects the effective stiffness tensor components and their PDF (Probability Density Function).

Microplastic flow in SIC/AL composites

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

Shi, N.; Arsenault, R.J.

Experimentally it has been determined that if a composite containing a reinforcement which has a different (in general lower) thermal coefficient of expansion as compared to the matrix, then upon cooling from the processing or annealing temperature, plastic relaxation of the misfit strain will occur. Also, experimentally it has been shown that as the size of the reinforcement is increased, i.e., from small spheres to large spheres, there is a decrease in the summation of the effective plastic strain in the matrix. In other words there is a decrease in the average dislocation density in the matrix. However, if themore » shape of the reinforcement is changed from spherical to short fiber to continuous filament, then the dislocation density increases. This experimental data is obtained at a constant volume fraction. A very simple model of plastic relaxation based on prismatic punching of dislocations from the interface can account for the decrease in the dislocation density with an increase reinforcement size, and the increase in dislocation density when changing the shape from a sphere to a continuous filament. A FEM analysis of the shape factor is also capable of predicting the correct trend. However, at present the continuum mechanics methods that have been investigated can not predict the size dependence. A simple model to explain the size effect in Al{sub 2}O{sub 3}/NiAl composites based on the deformation characteristics of NiAl will be discussed.« less

Expansion of Tabulated Scattering Matrices in Generalized Spherical Functions

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Geogdzhayev, Igor V.; Yang, Ping

2016-01-01

An efficient way to solve the vector radiative transfer equation for plane-parallel turbid media is to Fourier-decompose it in azimuth. This methodology is typically based on the analytical computation of the Fourier components of the phase matrix and is predicated on the knowledge of the coefficients appearing in the expansion of the normalized scattering matrix in generalized spherical functions. Quite often the expansion coefficients have to be determined from tabulated values of the scattering matrix obtained from measurements or calculated by solving the Maxwell equations. In such cases one needs an efficient and accurate computer procedure converting a tabulated scattering matrix into the corresponding set of expansion coefficients. This short communication summarizes the theoretical basis of this procedure and serves as the user guide to a simple public-domain FORTRAN program.

Thermal Fatigue Limitations of Continuous Fiber Metal Matrix Composites

NASA Technical Reports Server (NTRS)

Halford, Gary R.; Arya, Vinod K.

1997-01-01

The potential structural benefits of unidirectional, continuous-fiber, metal matrix composites (MMC's) are legendary. When compared to their monolithic matrices, MMC's possess superior properties such as higher stiffness and tensile strength, and lower coefficient of thermal expansion in the direction of the reinforcing fibers. As an added bonus, the MMC density will be lower if the fibers are less dense than the matrix matErial they replace. The potential has been demonstrated unequivocally both analytically and experimentally, especially at ambient temperatures. Successes prompted heavily-funded National efforts within the United States (USAF and NASA) and elsewhere to extend the promise of MMC's into the temperature regime wherein creep, stress relaxation, oxidation, and thermal fatigue damage mechanisms lurk. This is the very regime for which alternative high-temperature materials are becoming mandatory, since further enhancement of state- of-the-art monolithic alloys is rapidly approaching a point of diminishing returns.

Modulation of hematopoietic progenitor cell fate in vitro by varying collagen oligomer matrix stiffness in the presence or absence of osteoblasts.

PubMed

Chitteti, Brahmananda Reddy; Kacena, Melissa A; Voytik-Harbin, Sherry L; Srour, Edward F

2015-10-01

To recreate the in vivo hematopoietic cell microenvironment or niche and to study the impact of extracellular matrix (ECM) biophysical properties on hematopoietic progenitor cell (HPC) proliferation and function, mouse bone-marrow derived HPC (Lin-Sca1+cKit+/(LSK) were cultured within three-dimensional (3D) type I collagen oligomer matrices. To generate a more physiologic milieu, 3D cultures were established in both the presence and absence of calvariae-derived osteoblasts (OB). Collagen oligomers were polymerized at varying concentration to give rise to matrices of different fibril densities and therefore matrix stiffness (shear storage modulus, 50-800 Pa). Decreased proliferation and increased clonogenicity of LSK cells was associated with increase of matrix stiffness regardless of whether OB were present or absent from the 3D culture system. Also, regardless of whether OB were or were not added to the 3D co-culture system, LSK within 800 Pa collagen oligomer matrices maintained the highest percentage of Lin-Sca1+ cells as well as higher percentage of cells in quiescent state (G0/G1) compared to 50 Pa or 200Pa matrices. Collectively, these data illustrate that biophysical features of collagen oligomer matrices, specifically fibril density-induced modulation of matrix stiffness, provide important guidance cues in terms of LSK expansion and differentiation and therefore maintenance of progenitor cell function. Copyright © 2015. Published by Elsevier B.V.

Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

PubMed

Tao, Jianmin; Mo, Yuxiang

2016-08-12

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

Mode conversion in cold low-density plasma with a sheared magnetic field

DOE PAGES

Dodin, I. Y.; Ruiz, D. E.; Kubo, S.

2017-12-19

Here, a theory is proposed that describes mutual conversion of two electromagnetic modes in cold low-density plasma, specifically, in the high-frequency limit where the ion response is negligible. In contrast to the classic (Landau–Zener-type) theory of mode conversion, the region of resonant coupling in low-density plasma is not necessarily narrow, so the coupling matrix cannot be approximated with its first-order Taylor expansion; also, the initial conditions are set up differently. For the case of strong magnetic shear, a simple method is identified for preparing a two-mode wave such that it transforms into a single-mode wave upon entering high-density plasma. Themore » theory can be used for reduced modeling of wave-power input in fusion plasmas. In particular, applications are envisioned in stellarator research, where the mutual conversion of two electromagnetic modes near the plasma edge is a known issue.« less

Mode conversion in cold low-density plasma with a sheared magnetic field

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

Dodin, I. Y.; Ruiz, D. E.; Kubo, S.

Here, a theory is proposed that describes mutual conversion of two electromagnetic modes in cold low-density plasma, specifically, in the high-frequency limit where the ion response is negligible. In contrast to the classic (Landau–Zener-type) theory of mode conversion, the region of resonant coupling in low-density plasma is not necessarily narrow, so the coupling matrix cannot be approximated with its first-order Taylor expansion; also, the initial conditions are set up differently. For the case of strong magnetic shear, a simple method is identified for preparing a two-mode wave such that it transforms into a single-mode wave upon entering high-density plasma. Themore » theory can be used for reduced modeling of wave-power input in fusion plasmas. In particular, applications are envisioned in stellarator research, where the mutual conversion of two electromagnetic modes near the plasma edge is a known issue.« less

Thermal expansion behavior of LDEF metal matrix composites

NASA Technical Reports Server (NTRS)

Le, T. D.; Steckel, G. L.

1992-01-01

The effects of the space environment on the thermal expansion stability of metal matrix composites (graphite/Al and graphite/Mg) will be presented. A sample from each category of metal matrix composites mounted on the leading and trailing edge was chosen for analysis of the temperature-time-thermal strain histories. Typical thermal expansion curves over the same range of temperature were selected at the beginning, mid, and end of the recording duration. The thermal expansion of selected post-flight LDEF samples were measured over the same range of temperature in the laboratory using a Michelson laser interferometer. The thermal strains were monitored concurrently with a laser interferometer and a mounted strain gage.

Thermal Expansion Behavior of Hot-Pressed Engineered Matrices

NASA Technical Reports Server (NTRS)

Raj, S. V.

2016-01-01

Advanced engineered matrix composites (EMCs) require that the coefficient of thermal expansion (CTE) of the engineered matrix (EM) matches those of the fiber reinforcements as closely as possible in order to reduce thermal compatibility strains during heating and cooling of the composites. The present paper proposes a general concept for designing suitable matrices for long fiber reinforced composites using a rule of mixtures (ROM) approach to minimize the global differences in the thermal expansion mismatches between the fibers and the engineered matrix. Proof-of-concept studies were conducted to demonstrate the validity of the concept.

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

Tang, Zhoufei; Ouyang, Xiaolong; Gong, Zhihao

An extended hierarchy equation of motion (HEOM) is proposed and applied to study the dynamics of the spin-boson model. In this approach, a complete set of orthonormal functions are used to expand an arbitrary bath correlation function. As a result, a complete dynamic basis set is constructed by including the system reduced density matrix and auxiliary fields composed of these expansion functions, where the extended HEOM is derived for the time derivative of each element. The reliability of the extended HEOM is demonstrated by comparison with the stochastic Hamiltonian approach under room-temperature classical ohmic and sub-ohmic noises and the multilayermore » multiconfiguration time-dependent Hartree theory under zero-temperature quantum ohmic noise. Upon increasing the order in the hierarchical expansion, the result obtained from the extended HOEM systematically converges to the numerically exact answer.« less

The mechanical properties of human adipose tissues and their relationships to the structure and composition of the extracellular matrix.

PubMed

Alkhouli, Nadia; Mansfield, Jessica; Green, Ellen; Bell, James; Knight, Beatrice; Liversedge, Neil; Tham, Ji Chung; Welbourn, Richard; Shore, Angela C; Kos, Katarina; Winlove, C Peter

2013-12-01

Adipose tissue (AT) expansion in obesity is characterized by cellular growth and continuous extracellular matrix (ECM) remodeling with increased fibrillar collagen deposition. It is hypothesized that the matrix can inhibit cellular expansion and lipid storage. Therefore, it is important to fully characterize the ECM's biomechanical properties and its interactions with cells. In this study, we characterize and compare the mechanical properties of human subcutaneous and omental tissues, which have different physiological functions. AT was obtained from 44 subjects undergoing surgery. Force/extension and stress/relaxation data were obtained. The effects of osmotic challenge were measured to investigate the cellular contribution to tissue mechanics. Tissue structure and its response to tensile strain were determined using nonlinear microscopy. AT showed nonlinear stress/strain characteristics of up to a 30% strain. Comparing paired subcutaneous and omental samples (n = 19), the moduli were lower in subcutaneous: initial 1.6 ± 0.8 (means ± SD) and 2.9 ± 1.5 kPa (P = 0.001), final 11.7 ± 6.4 and 32 ± 15.6 kPa (P < 0.001), respectively. The energy dissipation density was lower in subcutaneous AT (n = 13): 0.1 ± 0.1 and 0.3 ± 0.2 kPa, respectively (P = 0.006). Stress/relaxation followed a two-exponential time course. When the incubation medium was exchanged for deionized water in specimens held at 30% strain, force decreased by 31%, and the final modulus increased significantly. Nonlinear microscopy revealed collagen and elastin networks in close proximity to adipocytes and a larger-scale network of larger fiber bundles. There was considerable microscale heterogeneity in the response to strain in both cells and matrix fibers. These results suggest that subcutaneous AT has greater capacity for expansion and recovery from mechanical deformation than omental AT.

Effects of Thermal Cycling on Thermal Expansion and Mechanical Properties of Sic Fiber-reinforced Reaction-bonded Si3n4 Composites

NASA Technical Reports Server (NTRS)

Bhatt, R. T.; Palczer, A. R.

1994-01-01

Thermal expansion curves for SiC fiber-reinforced reaction-bonded Si3N4 matrix composites (SiC/RBSN) and unreinforced RBSN were measured from 25 to 1400 C in nitrogen and in oxygen. The effects of fiber/matrix bonding and cycling on the thermal expansion curves and room-temperature tensile properties of unidirectional composites were determined. The measured thermal expansion curves were compared with those predicted from composite theory. Predicted thermal expansion curves parallel to the fiber direction for both bonding cases were similar to that of the weakly bonded composites, but those normal to the fiber direction for both bonding cases resulted in no net dimensional changes at room temperature, and no loss in tensile properties from the as-fabricated condition. In contrast, thermal cycling in oxygen for both composites caused volume expansion primarily due to internal oxidation of RBSN. Cyclic oxidation affected the mechanical properties of the weakly bonded SiC/RBSN composites the most, resulting in loss of strain capability beyond matrix fracture and catastrophic, brittle fracture. Increased bonding between the SiC fiber and RBSN matrix due to oxidation of the carbon-rich fiber surface coating and an altered residual stress pattern in the composite due to internal oxidation of the matrix are the main reasons for the poor mechanical performance of these composites.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

DOE PAGES

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto; ...

2017-09-15

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

ELSI: A unified software interface for Kohn-Sham electronic structure solvers

NASA Astrophysics Data System (ADS)

Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; Yang, Chao; Yang, Haizhao; Blum, Volker

2018-01-01

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

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

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

Defined Essential 8™ Medium and Vitronectin Efficiently Support Scalable Xeno-Free Expansion of Human Induced Pluripotent Stem Cells in Stirred Microcarrier Culture Systems

PubMed Central

Badenes, Sara M.; Fernandes, Tiago G.; Cordeiro, Cláudia S. M.; Boucher, Shayne; Kuninger, David; Vemuri, Mohan C.; Diogo, Maria Margarida; Cabral, Joaquim M. S.

2016-01-01

Human induced pluripotent stem (hiPS) cell culture using Essential 8™ xeno-free medium and the defined xeno-free matrix vitronectin was successfully implemented under adherent conditions. This matrix was able to support hiPS cell expansion either in coated plates or on polystyrene-coated microcarriers, while maintaining hiPS cell functionality and pluripotency. Importantly, scale-up of the microcarrier-based system was accomplished using a 50 mL spinner flask, under dynamic conditions. A three-level factorial design experiment was performed to identify optimal conditions in terms of a) initial cell density b) agitation speed, and c) to maximize cell yield in spinner flask cultures. A maximum cell yield of 3.5 is achieved by inoculating 55,000 cells/cm2 of microcarrier surface area and using 44 rpm, which generates a cell density of 1.4x106 cells/mL after 10 days of culture. After dynamic culture, hiPS cells maintained their typical morphology upon re-plating, exhibited pluripotency-associated marker expression as well as tri-lineage differentiation capability, which was verified by inducing their spontaneous differentiation through embryoid body formation, and subsequent downstream differentiation to specific lineages such as neural and cardiac fates was successfully accomplished. In conclusion, a scalable, robust and cost-effective xeno-free culture system was successfully developed and implemented for the scale-up production of hiPS cells. PMID:26999816

Rectangular rotation of spherical harmonic expansion of arbitrary high degree and order

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

2017-08-01

In order to move the polar singularity of arbitrary spherical harmonic expansion to a point on the equator, we rotate the expansion around the y-axis by 90° such that the x-axis becomes a new pole. The expansion coefficients are transformed by multiplying a special value of Wigner D-matrix and a normalization factor. The transformation matrix is unchanged whether the coefficients are 4 π fully normalized or Schmidt quasi-normalized. The matrix is recursively computed by the so-called X-number formulation (Fukushima in J Geodesy 86: 271-285, 2012a). As an example, we obtained 2190× 2190 coefficients of the rectangular rotated spherical harmonic expansion of EGM2008. A proper combination of the original and the rotated expansions will be useful in (i) integrating the polar orbits of artificial satellites precisely and (ii) synthesizing/analyzing the gravitational/geomagnetic potentials and their derivatives accurately in the high latitude regions including the arctic and antarctic area.

Mechanical properties of several neat polymer matrix materials and unidirectional carbon fiber-reinforced composites

NASA Technical Reports Server (NTRS)

Coguill, Scott L.; Adams, Donald F.

1989-01-01

The mechanical and physical properties of three neat matrix materials, i.e., PEEK (polyetheretherketone) thermoplastic, Hexcel F155 rubber-toughened epoxy and Hercules 8551-7 rubber-toughened epoxy, were experimentally determined. Twelve unidirectional carbon fiber composites, incorporating matrix materials characterized in this or earlier studies (with one exception; the PISO(sub 2)-TPI matrix itself was not characterized), were also tested. These composite systems included AS4/2220-1, AS4/2220-3, T500/R914, IM6/HX1504, T300/4901A (MDA), T700/4901A (MDA), T300/4901B (MPDA), T700/4901B (MPDA), APC2 (AS4/PEEK, ICI), APC2 (AS4/PEEK, Langley Research Center), AS4/8551-7, and AS4/PISO(sub 2)-TPI. For the neat matrix materials, the tensile, shear, fracture toughness, coefficient of thermal expansion, and coefficient of moisture expansion properties were measured as a function of both temperature and moisture content. For the unidirectional composites, axial and transverse tensile, longitudinal shear, coefficient of thermal expansion, and coefficient of moisture expansion properties were determined, at room temperature and 100 C.

Anomalous expansion of Nb nanowires in a NiTi matrix under high pressure

DOE PAGES

Yu, Cun; Ren, Yang; Cui, Lishan; ...

2016-10-17

Under high pressure, materials usually shrink during compression as described by an equation of state. Here, we present the anomalous volume expansion behavior of a one-dimensional Nb nanowire embedded in a NiTi transforming matrix, while the matrix undergoes a pressure-induced martensitic transformation. The Nb volume expansion depends on the NiTi transition pressure range from the matrix, which is controlled by the shear strain induced by different pressure transmitting media. The transformation-induced interfacial stresses between Nb and NiTi may play a major role in this anomaly. In conclusion, our discovery sheds new light on the nano-interfacial effect on mechanical anomalies inmore » heterogeneous systems during a pressure-induced phase transition.« less

Reduction of thermal stresses in continuous fiber reinforced metal matrix composites with interface layers

NASA Technical Reports Server (NTRS)

Jansson, S.; Leckie, F. A.

1990-01-01

The potential of using an interface layer to reduce thermal stresses in the matrix of composites with a mismatch in coefficients of thermal expansion of fiber and matrix was investigated. It was found that compliant layers, with properties of readily available materials, do not have the potential to reduce thermal stresses significantly. However, interface layers with high coefficient of thermal expansion can compensate for the mismatch and reduce thermal stresses in the matrix significantly.

Extracellular-matrix-mediated osmotic pressure drives Vibrio cholerae biofilm expansion and cheater exclusion.

PubMed

Yan, Jing; Nadell, Carey D; Stone, Howard A; Wingreen, Ned S; Bassler, Bonnie L

2017-08-23

Biofilms, surface-attached communities of bacteria encased in an extracellular matrix, are a major mode of bacterial life. How the material properties of the matrix contribute to biofilm growth and robustness is largely unexplored, in particular in response to environmental perturbations such as changes in osmotic pressure. Here, using Vibrio cholerae as our model organism, we show that during active cell growth, matrix production enables biofilm-dwelling bacterial cells to establish an osmotic pressure difference between the biofilm and the external environment. This pressure difference promotes biofilm expansion on nutritious surfaces by physically swelling the colony, which enhances nutrient uptake, and enables matrix-producing cells to outcompete non-matrix-producing cheaters via physical exclusion. Osmotic pressure together with crosslinking of the matrix also controls the growth of submerged biofilms and their susceptibility to invasion by planktonic cells. As the basic physicochemical principles of matrix crosslinking and osmotic swelling are universal, our findings may have implications for other biofilm-forming bacterial species.Most bacteria live in biofilms, surface-attached communities encased in an extracellular matrix. Here, Yan et al. show that matrix production in Vibrio cholerae increases the osmotic pressure within the biofilm, promoting biofilm expansion and physical exclusion of non-matrix producing cheaters.

Locally smeared operator product expansions in scalar field theory

DOE PAGES

Monahan, Christopher; Orginos, Kostas

2015-04-01

We propose a new locally smeared operator product expansion to decompose non-local operators in terms of a basis of smeared operators. The smeared operator product expansion formally connects nonperturbative matrix elements determined numerically using lattice field theory to matrix elements of non-local operators in the continuum. These nonperturbative matrix elements do not suffer from power-divergent mixing on the lattice, which significantly complicates calculations of quantities such as the moments of parton distribution functions, provided the smearing scale is kept fixed in the continuum limit. The presence of this smearing scale complicates the connection to the Wilson coefficients of the standardmore » operator product expansion and requires the construction of a suitable formalism. We demonstrate the feasibility of our approach with examples in real scalar field theory.« less

Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library.

PubMed

Mohr, Stephan; Dawson, William; Wagner, Michael; Caliste, Damien; Nakajima, Takahito; Genovese, Luigi

2017-10-10

We present CheSS, the "Chebyshev Sparse Solvers" library, which has been designed to solve typical problems arising in large-scale electronic structure calculations using localized basis sets. The library is based on a flexible and efficient expansion in terms of Chebyshev polynomials and presently features the calculation of the density matrix, the calculation of matrix powers for arbitrary powers, and the extraction of eigenvalues in a selected interval. CheSS is able to exploit the sparsity of the matrices and scales linearly with respect to the number of nonzero entries, making it well-suited for large-scale calculations. The approach is particularly adapted for setups leading to small spectral widths of the involved matrices and outperforms alternative methods in this regime. By coupling CheSS to the DFT code BigDFT, we show that such a favorable setup is indeed possible in practice. In addition, the approach based on Chebyshev polynomials can be massively parallelized, and CheSS exhibits excellent scaling up to thousands of cores even for relatively small matrix sizes.

Interaction cross sections and matter radii of oxygen isotopes using the Glauber model

NASA Astrophysics Data System (ADS)

Ahmad, Suhel; Usmani, A. A.; Ahmad, Shakeb; Khan, Z. A.

2017-05-01

Using the Coulomb modified correlation expansion for the Glauber model S matrix, we calculate the interaction cross sections of oxygen isotopes (O-2616) on 12C at 1.0 GeV/nucleon. The densities of O-2616 are obtained using (i) the Slater determinants consisting of the harmonic oscillator single-particle wave functions (SDHO) and (ii) the relativistic mean-field approach (RMF). Retaining up to the two-body density term in the correlation expansion, the calculations are performed employing the free as well as the in-medium nucleon-nucleon (N N ) scattering amplitude. The in-medium N N amplitude considers the effects arising due to phase variation, higher momentum transfer components, and Pauli blocking. Our main focus in this work is to reveal how could one make the best use of SDHO densities with reference to the RMF one. The results demonstrate that the SDHO densities, along with the in-medium N N amplitude, are able to provide satisfactory explanation of the experimental data. It is found that, except for O,2423, the predicted SDHO matter rms radii of oxygen isotopes closely agree with those obtained using the RMF densities. However, for O,2423, our results require reasonably larger SDHO matter rms radii than the RMF values, thereby predicting thicker neutron skins in 23O and 24O as compared to RMF ones. In conclusion, the results of the present analysis establish the utility of SDHO densities in predicting fairly reliable estimates of the matter rms radii of neutron-rich nuclei.

The large-N Yang-Mills S matrix is ultraviolet finite, but the large-N QCD S matrix is only renormalizable

NASA Astrophysics Data System (ADS)

Bochicchio, Marco

2017-03-01

Yang-Mills (YM) theory and QCD are known to be renormalizable, but not ultraviolet (UV) finite, order by order, in perturbation theory. It is a fundamental question whether YM theory or QCD is UV finite, or only renormalizable, order by order, in the large-N 't Hooft or Veneziano expansions. We demonstrate that the renormalization group (RG) and asymptotic freedom imply that in 't Hooft large-N expansion the S matrix in YM theory is UV finite, while in both 't Hooft and Veneziano large-N expansions, the S matrix in confining massless QCD is renormalizable but not UV finite. By the same argument, the large-N N =1 supersymmetry (SUSY) YM S matrix is UV finite as well. Besides, we demonstrate that, in both 't Hooft and Veneziano large-N expansions, the correlators of local gauge-invariant operators, as opposed to the S matrix, are renormalizable but, in general, not UV finite, either in YM theory and N =1 SUSY YM theory or a fortiori in massless QCD. Moreover, we compute explicitly the counterterms that arise from renormalizing the 't Hooft and Veneziano expansions by deriving in confining massless QCD-like theories a low-energy theorem of the Novikov-Shifman-Vainshtein-Zakharov type that relates the log derivative with respect to the gauge coupling of a k -point correlator, or the log derivative with respect to the RG-invariant scale, to a (k +1 )-point correlator with the insertion of Tr F2 at zero momentum. Finally, we argue that similar results hold in the large-N limit of a vast class of confining massive QCD-like theories, provided a renormalization scheme exists—as, for example, MS ¯ —in which the beta function is not dependent on the masses. Specifically, in both 't Hooft and Veneziano large-N expansions, the S matrix in confining massive QCD and massive N =1 SUSY QCD is renormalizable but not UV finite.

The initiation and growth of delaminations induced by matrix microcracks in laminated composites

NASA Technical Reports Server (NTRS)

Nairn, J. A.; Hu, S.

1992-01-01

A recent variational mechanics analysis of microcracking damage in cross-ply laminates of the form /(S)/90n/s, where (S) is any orthotropic sublaminate much stiffer than /90n/, has been extended to account for the presence of delaminations emanating from the tips of microcracks in the /90 2n/T sublaminate. The new two-dimensional stress analysis is used to calculate the total strain energy, effective modulus, and longitudinal thermal expansion coefficient for a laminate having microcracks and delaminations. These results are used to calculate the energy release rate for the initiation and growth of a delamination induced by a matrix microcrack. At low crack densities, /(S)/90n/s laminates are expected to fail by microcracking and to show little or no delamination. At some critical crack density, which is a function of laminate structure and material properties, the energy release rate for delamination exceeds that for microcracking and delamination is predicted to dominate over microcracking. A quasi-three-dimensional model is used to predict the propagation of arbitrarily shaped delamination fronts. All predictions agree with experimental observations.

High Density Polyethylene Composites Reinforced with Hybrid Inorganic Fillers: Morphology, Mechanical and Thermal Expansion Performance

PubMed Central

Huang, Runzhou; Xu, Xinwu; Lee, Sunyoung; Zhang, Yang; Kim, Birm-June; Wu, Qinglin

2013-01-01

The effect of individual and combined talc and glass fibers (GFs) on mechanical and thermal expansion performance of the filled high density polyethylene (HDPE) composites was studied. Several published models were adapted to fit the measured tensile modulus and strength of various composite systems. It was shown that the use of silane-modified GFs had a much larger effect in improving mechanical properties and in reducing linear coefficient of thermal expansion (LCTE) values of filled composites, compared with the use of un-modified talc particles due to enhanced bonding to the matrix, larger aspect ratio, and fiber alignment for GFs. Mechanical properties and LCTE values of composites with combined talc and GF fillers varied with talc and GF ratio at a given total filler loading level. The use of a larger portion of GFs in the mix can lead to better composite performance, while the use of talc can help lower the composite costs and increase its recyclability. The use of 30 wt % combined filler seems necessary to control LCTE values of filled HDPE in the data value range generally reported for commercial wood plastic composites. Tensile modulus for talc-filled composite can be predicted with rule of mixture, while a PPA-based model can be used to predict the modulus and strength of GF-filled composites. PMID:28788322

MoSi2-Base Composite for Engine Applications

NASA Technical Reports Server (NTRS)

Hebsur, Mohan G.; Nathal, Michael V.

1997-01-01

The intermetallic compound MoSi2 has long been known as a high temperature material that has excellent oxidation resistance and electrical/thermal conductivity. Also its low cost, high melting point (2023 C), relatively low density (6.2 g/cm versus 8 g/cm for current engine materials), and ease of machining make it an attractive structural material. However, the use of MoSi2 has been hindered because of the brittle nature of the material at low temperatures, inadequate creep resistance at high temperatures, accelerated oxidation (also known as 'pest' oxidation) at temperatures between approximately 400 and 500 C, and a coefficient of thermal expansion (CTE) that is relatively high in comparison to potential reinforcing fibers such as SiC. This CTE mismatch between the fiber and the matrix resulted in severe matrix cracking during thermal cycling.

A two-parameter family of double-power-law biorthonormal potential-density expansions

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn

2018-07-01

We present a two-parameter family of biorthonormal double-power-law potential-density expansions. Both the potential and density are given in a closed analytic form and may be rapidly computed via recurrence relations. We show that this family encompasses all the known analytic biorthonormal expansions: the Zhao expansions (themselves generalizations of ones found earlier by Hernquist & Ostriker and by Clutton-Brock) and the recently discovered Lilley et al. expansion. Our new two-parameter family includes expansions based around many familiar spherical density profiles as zeroth-order models, including the γ models and the Jaffe model. It also contains a basis expansion that reproduces the famous Navarro-Frenk-White (NFW) profile at zeroth order. The new basis expansions have been found via a systematic methodology which has wide applications in finding other new expansions. In the process, we also uncovered a novel integral transform solution to Poisson's equation.

A two-parameter family of double-power-law biorthonormal potential-density expansions

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn

2018-05-01

We present a two-parameter family of biorthonormal double-power-law potential-density expansions. Both the potential and density are given in closed analytic form and may be rapidly computed via recurrence relations. We show that this family encompasses all the known analytic biorthonormal expansions: the Zhao expansions (themselves generalizations of ones found earlier by Hernquist & Ostriker and by Clutton-Brock) and the recently discovered Lilley et al. (2017a) expansion. Our new two-parameter family includes expansions based around many familiar spherical density profiles as zeroth-order models, including the γ models and the Jaffe model. It also contains a basis expansion that reproduces the famous Navarro-Frenk-White (NFW) profile at zeroth order. The new basis expansions have been found via a systematic methodology which has wide applications in finding other new expansions. In the process, we also uncovered a novel integral transform solution to Poisson's equation.

A two-parameter family of double-power-law biorthonormal potential-density expansions

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn

2018-05-01

We present a two-parameter family of biorthonormal double-power-law potential-density expansions. Both the potential and density are given in closed analytic form and may be rapidly computed via recurrence relations. We show that this family encompasses all the known analytic biorthonormal expansions: the Zhao expansions (themselves generalizations of ones found earlier by Hernquist & Ostriker and by Clutton-Brock) and the recently discovered Lilley et al. (2018b) expansion. Our new two-parameter family includes expansions based around many familiar spherical density profiles as zeroth-order models, including the γ models and the Jaffe model. It also contains a basis expansion that reproduces the famous Navarro-Frenk-White (NFW) profile at zeroth order. The new basis expansions have been found via a systematic methodology which has wide applications in finding other new expansions. In the process, we also uncovered a novel integral transform solution to Poisson's equation.

Thermal conductivity and thermal expansion of graphite fiber/copper matrix composites

NASA Technical Reports Server (NTRS)

Ellis, David L.; Mcdanels, David L.

1991-01-01

The high specific conductivity of graphite fiber/copper matrix (Gr/Cu) composites offers great potential for high heat flux structures operating at elevated temperatures. To determine the feasibility of applying Gr/Cu composites to high heat flux structures, composite plates were fabricated using unidirectional and cross-plied pitch-based P100 graphite fibers in a pure copper matrix. Thermal conductivity of the composites was measured from room temperature to 1073 K, and thermal expansion was measured from room temperature to 1050 K. The longitudinal thermal conductivity, parallel to the fiber direction, was comparable to pure copper. The transverse thermal conductivity, normal to the fiber direction, was less than that of pure copper and decreased with increasing fiber content. The longitudinal thermal expansion decreased with increasing fiber content. The transverse thermal expansion was greater than pure copper and nearly independent of fiber content.

Thermal conductivity and thermal expansion of graphite fiber-reinforced copper matrix composites

NASA Technical Reports Server (NTRS)

Ellis, David L.; Mcdanels, David L.

1993-01-01

The high specific conductivity of graphite fiber/copper matrix (Gr/Cu) composites offers great potential for high heat flux structures operating at elevated temperatures. To determine the feasibility of applying Gr/Cu composites to high heat flux structures, composite plates were fabricated using unidirectional and cross-plied pitch-based P100 graphite fibers in a pure copper matrix. Thermal conductivity of the composites was measured from room temperature to 1073 K, and thermal expansion was measured from room temperature to 1050 K. The longitudinal thermal conductivity, parallel to the fiber direction, was comparable to pure copper. The transverse thermal conductivity, normal to the fiber direction, was less than that of pure copper and decreased with increasing fiber content. The longitudinal thermal expansion decreased with increasing fiber content. The transverse thermal expansion was greater than pure copper and nearly independent of fiber content.

Quantifying Uncertainties in the Thermo-Mechanical Properties of Particulate Reinforced Composites

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Murthy, Pappu L. N.

1999-01-01

The present paper reports results from a computational simulation of probabilistic particulate reinforced composite behavior. The approach consists use of simplified micromechanics of particulate reinforced composites together with a Fast Probability Integration (FPI) technique. Sample results are presented for a Al/SiC(sub p)(silicon carbide particles in aluminum matrix) composite. The probability density functions for composite moduli, thermal expansion coefficient and thermal conductivities along with their sensitivity factors are computed. The effect of different assumed distributions and the effect of reducing scatter in constituent properties on the thermal expansion coefficient are also evaluated. The variations in the constituent properties that directly effect these composite properties are accounted for by assumed probabilistic distributions. The results show that the present technique provides valuable information about the scatter in composite properties and sensitivity factors, which are useful to test or design engineers.

Role of strangeness and isospin in low density expansions of hadronic matter

NASA Astrophysics Data System (ADS)

de Oliveira, Thamirys; Menezes, Débora P.; Pinto, Marcus B.; Gulminelli, Francesca

2018-05-01

We compare relativistic mean-field models with their low density expansion counterparts used to mimic nonrelativistic models by consistently expanding the baryonic scalar density in powers of the baryonic number density up to O (13 /3 ) , which goes two orders beyond the order considered in previous works. We show that, due to the nontrivial density dependence of the Dirac mass, the convergence of the expansion is very slow, and the validity of the nonrelativistic approximation is questionable even at subsaturation densities. In order to analyze the roles played by strangeness and isospin we consider n -Λ and n -p matter separately. Our results indicate that these degrees of freedom play quite different roles in the expansion mechanism and n -Λ matter can be better described by low density expansions than n -p matter in general.

Random pure states: Quantifying bipartite entanglement beyond the linear statistics.

PubMed

Vivo, Pierpaolo; Pato, Mauricio P; Oshanin, Gleb

2016-05-01

We analyze the properties of entangled random pure states of a quantum system partitioned into two smaller subsystems of dimensions N and M. Framing the problem in terms of random matrices with a fixed-trace constraint, we establish, for arbitrary N≤M, a general relation between the n-point densities and the cross moments of the eigenvalues of the reduced density matrix, i.e., the so-called Schmidt eigenvalues, and the analogous functionals of the eigenvalues of the Wishart-Laguerre ensemble of the random matrix theory. This allows us to derive explicit expressions for two-level densities, and also an exact expression for the variance of von Neumann entropy at finite N,M. Then, we focus on the moments E{K^{a}} of the Schmidt number K, the reciprocal of the purity. This is a random variable supported on [1,N], which quantifies the number of degrees of freedom effectively contributing to the entanglement. We derive a wealth of analytical results for E{K^{a}} for N=2 and 3 and arbitrary M, and also for square N=M systems by spotting for the latter a connection with the probability P(x_{min}^{GUE}≥sqrt[2N]ξ) that the smallest eigenvalue x_{min}^{GUE} of an N×N matrix belonging to the Gaussian unitary ensemble is larger than sqrt[2N]ξ. As a by-product, we present an exact asymptotic expansion for P(x_{min}^{GUE}≥sqrt[2N]ξ) for finite N as ξ→∞. Our results are corroborated by numerical simulations whenever possible, with excellent agreement.

Model reduction of nonsquare linear MIMO systems using multipoint matrix continued-fraction expansions

NASA Technical Reports Server (NTRS)

Guo, Tong-Yi; Hwang, Chyi; Shieh, Leang-San

1994-01-01

This paper deals with the multipoint Cauer matrix continued-fraction expansion (MCFE) for model reduction of linear multi-input multi-output (MIMO) systems with various numbers of inputs and outputs. A salient feature of the proposed MCFE approach to model reduction of MIMO systems with square transfer matrices is its equivalence to the matrix Pade approximation approach. The Cauer second form of the ordinary MCFE for a square transfer function matrix is generalized in this paper to a multipoint and nonsquare-matrix version. An interesting connection of the multipoint Cauer MCFE method to the multipoint matrix Pade approximation method is established. Also, algorithms for obtaining the reduced-degree matrix-fraction descriptions and reduced-dimensional state-space models from a transfer function matrix via the multipoint Cauer MCFE algorithm are presented. Practical advantages of using the multipoint Cauer MCFE are discussed and a numerical example is provided to illustrate the algorithms.

SAMBA: Sparse Approximation of Moment-Based Arbitrary Polynomial Chaos

NASA Astrophysics Data System (ADS)

Ahlfeld, R.; Belkouchi, B.; Montomoli, F.

2016-09-01

A new arbitrary Polynomial Chaos (aPC) method is presented for moderately high-dimensional problems characterised by limited input data availability. The proposed methodology improves the algorithm of aPC and extends the method, that was previously only introduced as tensor product expansion, to moderately high-dimensional stochastic problems. The fundamental idea of aPC is to use the statistical moments of the input random variables to develop the polynomial chaos expansion. This approach provides the possibility to propagate continuous or discrete probability density functions and also histograms (data sets) as long as their moments exist, are finite and the determinant of the moment matrix is strictly positive. For cases with limited data availability, this approach avoids bias and fitting errors caused by wrong assumptions. In this work, an alternative way to calculate the aPC is suggested, which provides the optimal polynomials, Gaussian quadrature collocation points and weights from the moments using only a handful of matrix operations on the Hankel matrix of moments. It can therefore be implemented without requiring prior knowledge about statistical data analysis or a detailed understanding of the mathematics of polynomial chaos expansions. The extension to more input variables suggested in this work, is an anisotropic and adaptive version of Smolyak's algorithm that is solely based on the moments of the input probability distributions. It is referred to as SAMBA (PC), which is short for Sparse Approximation of Moment-Based Arbitrary Polynomial Chaos. It is illustrated that for moderately high-dimensional problems (up to 20 different input variables or histograms) SAMBA can significantly simplify the calculation of sparse Gaussian quadrature rules. SAMBA's efficiency for multivariate functions with regard to data availability is further demonstrated by analysing higher order convergence and accuracy for a set of nonlinear test functions with 2, 5 and 10 different input distributions or histograms.

Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins.

PubMed

Li Manni, Giovanni; Smart, Simon D; Alavi, Ali

2016-03-08

A novel stochastic Complete Active Space Self-Consistent Field (CASSCF) method has been developed and implemented in the Molcas software package. A two-step procedure is used, in which the CAS configuration interaction secular equations are solved stochastically with the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) approach, while orbital rotations are performed using an approximated form of the Super-CI method. This new method does not suffer from the strong combinatorial limitations of standard MCSCF implementations using direct schemes and can handle active spaces well in excess of those accessible to traditional CASSCF approaches. The density matrix formulation of the Super-CI method makes this step independent of the size of the CI expansion, depending exclusively on one- and two-body density matrices with indices restricted to the relatively small number of active orbitals. No sigma vectors need to be stored in memory for the FCIQMC eigensolver--a substantial gain in comparison to implementations using the Davidson method, which require three or more vectors of the size of the CI expansion. Further, no orbital Hessian is computed, circumventing limitations on basis set expansions. Like the parent FCIQMC method, the present technique is scalable on massively parallel architectures. We present in this report the method and its application to the free-base porphyrin, Mg(II) porphyrin, and Fe(II) porphyrin. In the present study, active spaces up to 32 electrons and 29 orbitals in orbital expansions containing up to 916 contracted functions are treated with modest computational resources. Results are quite promising even without accounting for the correlation outside the active space. The systems here presented clearly demonstrate that large CASSCF calculations are possible via FCIQMC-CASSCF without limitations on basis set size.

Properties of quantum systems via diagonalization of transition amplitudes. II. Systematic improvements of short-time propagation

NASA Astrophysics Data System (ADS)

Vidanović, Ivana; Bogojević, Aleksandar; Balaž, Antun; Belić, Aleksandar

2009-12-01

In this paper, building on a previous analysis [I. Vidanović, A. Bogojević, and A. Belić, preceding paper, Phys. Rev. E 80, 066705 (2009)] of exact diagonalization of the space-discretized evolution operator for the study of properties of nonrelativistic quantum systems, we present a substantial improvement to this method. We apply recently introduced effective action approach for obtaining short-time expansion of the propagator up to very high orders to calculate matrix elements of space-discretized evolution operator. This improves by many orders of magnitude previously used approximations for discretized matrix elements and allows us to numerically obtain large numbers of accurate energy eigenvalues and eigenstates using numerical diagonalization. We illustrate this approach on several one- and two-dimensional models. The quality of numerically calculated higher-order eigenstates is assessed by comparison with semiclassical cumulative density of states.

Numerical homogenization of elastic and thermal material properties for metal matrix composites (MMC)

NASA Astrophysics Data System (ADS)

Schindler, Stefan; Mergheim, Julia; Zimmermann, Marco; Aurich, Jan C.; Steinmann, Paul

2017-01-01

A two-scale material modeling approach is adopted in order to determine macroscopic thermal and elastic constitutive laws and the respective parameters for metal matrix composite (MMC). Since the common homogenization framework violates the thermodynamical consistency for non-constant temperature fields, i.e., the dissipation is not conserved through the scale transition, the respective error is calculated numerically in order to prove the applicability of the homogenization method. The thermomechanical homogenization is applied to compute the macroscopic mass density, thermal expansion, elasticity, heat capacity and thermal conductivity for two specific MMCs, i.e., aluminum alloy Al2024 reinforced with 17 or 30 % silicon carbide particles. The temperature dependency of the material properties has been considered in the range from 0 to 500°C, the melting temperature of the alloy. The numerically determined material properties are validated with experimental data from the literature as far as possible.

Graphite fiber/copper matrix composites for space power heat pipe fin applications

NASA Astrophysics Data System (ADS)

McDanels, David L.; Baker, Karl W.; Ellis, David L.

1991-01-01

High specific thermal conductivity (thermal conductivity divided by density) is a major design criterion for minimizing system mass for space power systems. For nuclear source power systems, graphite fiber reinforced copper matrix (Gr/Cu) composites offer good potential as a radiator fin material operating at service temperatures above 500 K. Specific thermal conductivity in the longitudinal direction is better than beryllium and almost twice that of copper. The high specific thermal conductivity of Gr/Cu offers the potential of reducing radiator mass by as much as 30 percent. Gr/Cu composites also offer the designer a range of available properties for various missions and applications. The properties of Gr/Cu are highly anisotropic. Longitudinal elastic modulus is comparable to beryllium and about three times that of copper. Thermal expansion in the longitudinal direction is near zero, while it exceeds that of copper in the transverse direction.

Can microcarrier-expanded chondrocytes synthesize cartilaginous tissue in vitro?

PubMed

Surrao, Denver C; Khan, Aasma A; McGregor, Aaron J; Amsden, Brian G; Waldman, Stephen D

2011-08-01

Tissue engineering is a promising approach for articular cartilage repair; however, it is challenging to produce adequate amounts of tissue in vitro from the limited number of cells that can be extracted from an individual. Relatively few cell expansion methods exist without the problems of de-differentiation and/or loss of potency. Recently, however, several studies have noted the benefits of three-dimensional (3D) over monolayer expansion, but the ability of 3D expanded chondrocytes to synthesize cartilaginous tissue constructs has not been demonstrated. Thus, the purpose of this study was to compare the properties of engineered cartilage constructs from expanded cells (monolayer and 3D microcarriers) to those developed from primary chondrocytes. Isolated bovine chondrocytes were grown for 3 weeks in either monolayer (T-Flasks) or 3D microcarrier (Cytodex 3) expansion culture. Expanded and isolated primary cells were then seeded in high density culture on Millicell™ filters for 4 weeks to evaluate the ability to synthesize cartilaginous tissue. While microcarrier expansion was twice as effective as monolayer expansion (microcarrier: 110-fold increase, monolayer: 52-fold increase), the expanded cells (monolayer and 3D microcarrier) were not effectively able to synthesize cartilaginous tissue in vitro. Tissues developed from primary cells were substantially thicker and accumulated significantly more extracellular matrix (proteoglycan content: 156%-292% increase; collagen content: 70%-191% increase). These results were attributed to phenotypic changes experienced during the expansion phase. Monolayer expanded chondrocytes lost their native morphology within 1 week, whereas microcarrier-expanded cells were spreading by 3 weeks of expansion. While the use of 3D microcarriers can lead to large cellular yields, preservation of chondrogenic phenotype during expansion is required in order to synthesize cartilaginous tissue.

Influence of SiO2 Addition on Properties of PTFE/TiO2 Microwave Composites

NASA Astrophysics Data System (ADS)

Yuan, Ying; Wang, Jie; Yao, Minghao; Tang, Bin; Li, Enzhu; Zhang, Shuren

2018-01-01

Composite substrates for microwave circuit applications have been fabricated by filling polytetrafluoroethylene (PTFE) polymer matrix with ceramic powder consisting of rutile TiO2 ( D 50 ≈ 5 μm) partially substituted with fused amorphous SiO2 ( D 50 ≈ 8 μm) with composition x vol.% SiO2 + (50 - x) vol.% TiO2 ( x = 0, 3, 6, 9, 12), and the effects of SiO2 addition on characteristics such as the density, moisture absorption, microwave dielectric properties, and thermal properties systematically investigated. The results show that the filler was well distributed throughout the matrix. High dielectric constant ( ɛ r > 7.19) and extremely low moisture absorption (<0.02%) were obtained, resulting from the relatively high density of the composites. The ceramic particles served as barriers and improved the thermal stability of the PTFE polymer, retarding its decomposition. The temperature coefficient of dielectric constant ( τ ɛ ) of the composites shifted toward the positive direction (from - 309 ppm/°C to - 179 ppm/°C) as the SiO2 content was increased, while the coefficient of thermal expansion remained almost unchanged (˜ 35 ppm/°C).

Universality of quantum information in chaotic CFTs

NASA Astrophysics Data System (ADS)

Lashkari, Nima; Dymarsky, Anatoly; Liu, Hong

2018-03-01

We study the Eigenstate Thermalization Hypothesis (ETH) in chaotic conformal field theories (CFTs) of arbitrary dimensions. Assuming local ETH, we compute the reduced density matrix of a ball-shaped subsystem of finite size in the infinite volume limit when the full system is an energy eigenstate. This reduced density matrix is close in trace distance to a density matrix, to which we refer as the ETH density matrix, that is independent of all the details of an eigenstate except its energy and charges under global symmetries. In two dimensions, the ETH density matrix is universal for all theories with the same value of central charge. We argue that the ETH density matrix is close in trace distance to the reduced density matrix of the (micro)canonical ensemble. We support the argument in higher dimensions by comparing the Von Neumann entropy of the ETH density matrix with the entropy of a black hole in holographic systems in the low temperature limit. Finally, we generalize our analysis to the coherent states with energy density that varies slowly in space, and show that locally such states are well described by the ETH density matrix.

Out-of-Autoclave Cure Composites

NASA Technical Reports Server (NTRS)

Hayes, Brian S.

2015-01-01

As the size of aerospace composite parts exceeds that of even the largest autoclaves, the development of new out-of-autoclave processes and materials is necessary to ensure quality and performance. Many out-of-autoclave prepreg systems can produce high-quality composites initially; however, due to long layup times, the resin advancement commonly causes high void content and variations in fiber volume. Applied Poleramic, Inc. (API), developed an aerospace-grade benzoxazine matrix composite prepreg material that offers more than a year out-time at ambient conditions and provides exceptionally low void content when out-of-autoclave cured. When compared with aerospace epoxy prepreg systems, API's innovation offers significant improvements in terms of out-time at ambient temperature and the corresponding tack retention. The carbon fiber composites developed with the optimized matrix technology have significantly better mechanical performance in terms of hot-wet retention and compression when compared with aerospace epoxy matrices. These composites also offer an excellent overall balance of properties. This matrix system imparts very low cure shrinkage, low coefficient of thermal expansion, and low density when compared with most aerospace epoxy prepreg materials.

Effects of the U boson on the inner edge of neutron star crusts

NASA Astrophysics Data System (ADS)

Zheng, Hao; Chen, Lie-Wen

2012-02-01

We explore effects of the light vector U boson, which is weakly coupled to nucleons, on the transition density ρt and pressure Pt at the inner edge separating the liquid core from the solid crust of neutron stars. Three methods, i.e., the thermodynamical approach, the curvature matrix approach, and the Vlasov equation approach, are used to determine the transition density ρt with the Skyrme effective nucleon-nucleon interactions. We find that the ρt and Pt depend on not only the ratio of coupling strength to mass squared of the U boson g2/μ2 but also its mass μ due to the finite-range interaction from the U-boson exchange. In particular, our results indicate that the ρt and Pt are sensitive to both g2/μ2 and μ if the U-boson mass μ is larger than about 2 MeV. Furthermore, we show that both g2/μ2 and μ can have significant influence on the mass-radius relation and the crustal fraction of total moment of inertia of neutron stars. In addition, we study the exchange term contribution of the U boson based on the density matrix expansion method, and demonstrate that the exchange term effects on the nuclear matter equation of state as well as the ρt and Pt are generally negligible.

Entanglement classification in the noninteracting Fermi gas

NASA Astrophysics Data System (ADS)

Jafarizadeh, M. A.; Eghbalifam, F.; Nami, S.; Yahyavi, M.

In this paper, entanglement classification shared among the spins of localized fermions in the noninteracting Fermi gas is studied. It is proven that the Fermi gas density matrix is block diagonal on the basis of the projection operators to the irreducible representations of symmetric group Sn. Every block of density matrix is in the form of the direct product of a matrix and identity matrix. Then it is useful to study entanglement in every block of density matrix separately. The basis of corresponding Hilbert space are identified from the Schur-Weyl duality theorem. Also, it can be shown that the symmetric part of the density matrix is fully separable. Then it has been shown that the entanglement measure which is introduced in Eltschka et al. [New J. Phys. 10, 043104 (2008)] and Guhne et al. [New J. Phys. 7, 229 (2005)], is zero for the even n qubit Fermi gas density matrix. Then by focusing on three spin reduced density matrix, the entanglement classes have been investigated. In three qubit states there is an entanglement measure which is called 3-tangle. It can be shown that 3-tangle is zero for three qubit density matrix, but the density matrix is not biseparable for all possible values of its parameters and its eigenvectors are in the form of W-states. Then an entanglement witness for detecting non-separable state and an entanglement witness for detecting nonbiseparable states, have been introduced for three qubit density matrix by using convex optimization problem. Finally, the four spin reduced density matrix has been investigated by restricting the density matrix to the irreducible representations of Sn. The restricted density matrix to the subspaces of the irreducible representations: Ssym, S3,1 and S2,2 are denoted by ρsym, ρ3,1 and ρ2,2, respectively. It has been shown that some highly entangled classes (by using the results of Miyake [Phys. Rev. A 67, 012108 (2003)] for entanglement classification) do not exist in the blocks of density matrix ρ3,1 and ρ2,2, so these classes do not exist in the total Fermi gas density matrix.

Time-dependent density-functional tight-binding method with the third-order expansion of electron density

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

Nishimoto, Yoshio, E-mail: nishimoto.yoshio@fukui.kyoto-u.ac.jp

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of themore » third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.« less

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

PubMed

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

Residual stresses and their effects on deformation

NASA Astrophysics Data System (ADS)

Davis, L. C.; Allison, J. E.

1993-11-01

Residual stresses induced by thermal expansion mismatch in metal-matrix composites are studied by three-dimensional (3-D) elastic-plastic finite element analyses. Typically, the stress-free state is 150 to 300 K above room temperature. The coefficient of thermal expansion of the matrix is 3 to 5 times larger than that of the ceramic inclusion, resulting in compressive stresses of order 200 MPa in the inclusions. Both compressive and tensile stresses can be found in the matrix. Since the stress may exceed the matrix yield strength near the particles, plastic flow occurs. The authors find a significant influence of this flow on the elastic and plastic properties of the composite. The calculated residual strains in TiC particles due to thermal expansion mismatch and external loads compare well with recent neutron diffraction experiments (Bourke et al.) The present work is the first reported three-dimensional analysis of spherical inclusions in different arrays (simple cubic (sc) and face-centered cubic (fcc)) that permit a study of particle interactions.

Nonlinear Finite Element Analysis of Metals and Metal Matrix Composites: A Local-Global Investigation

DTIC Science & Technology

1992-10-01

and SiC/Al [47] possess good chemical bonding and experience mechanical clamping due to the differences in thermal expansion coefficients between...Coefficient of Thermal 2.70 x 10.6 *F-1 4.09 x 10-6 *C-1 Expansion (ca) Poisson’s Ratio (v) 0.25 0.25 Fiber Diameter (d) 0.0056 in 0.014224 cm...Properties of the matrix (as fabricated) Coefficient of Thermal 5.4 x 10-6 "F1 9.72 x 10-6 "C-1 Expansion (a) Poisson’s Ratio (v) 0.351 0.351 Longitudinal

Potential applications of MMC and aluminum-lithium alloys in cameras for CRAF spacecraft. [Comet Rendezvous Asteroid Flyby Mission

NASA Technical Reports Server (NTRS)

Lane, Marc; Hsieh, Cheng; Adams, Lloyd

1989-01-01

In undertaking the design of a 2000-mm focal length camera for the Mariner Mark II series of spacecraft, JPL sought novel materials with the requisite dimensional and thermal stability, outgassing and corrosion resistance, low mass, high stiffness, and moderate cost. Metal-matrix composites and Al-Li alloys have, in addition to excellent mechanical properties and low density, a suitably low coefficient of thermal expansion, high specific stiffness, and good electrical conductivity. The greatest single obstacle to application of these materials to camera structure design is noted to have been the lack of information regarding long-term dimensional stability.

Galaxy halo expansions: a new biorthogonal family of potential-density pairs

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn; Erkal, Denis

2018-05-01

Efficient expansions of the gravitational field of (dark) haloes have two main uses in the modelling of galaxies: first, they provide a compact representation of numerically constructed (or real) cosmological haloes, incorporating the effects of triaxiality, lopsidedness or other distortion. Secondly, they provide the basis functions for self-consistent field expansion algorithms used in the evolution of N-body systems. We present a new family of biorthogonal potential-density pairs constructed using the Hankel transform of the Laguerre polynomials. The lowest order density basis functions are double-power-law profiles cusped like ρ ˜ r-2+1/α at small radii with asymptotic density fall-off like ρ ˜ r-3-1/(2α). Here, α is a parameter satisfying α ≥ 1/2. The family therefore spans the range of inner density cusps found in numerical simulations, but has much shallower - and hence more realistic - outer slopes than the corresponding members of the only previously known family deduced by Zhao and exemplified by Hernquist & Ostriker. When α = 1, the lowest order density profile has an inner density cusp of ρ ˜ r-1 and an outer density slope of ρ ˜ r-3.5, similar to the famous Navarro, Frenk & White (NFW) model. For this reason, we demonstrate that our new expansion provides a more accurate representation of flattened NFW haloes than the competing Hernquist-Ostriker expansion. We utilize our new expansion by analysing a suite of numerically constructed haloes and providing the distributions of the expansion coefficients.

Quantum Crystallography: Density Matrix-Density Functional Theory and the X-Ray Diffraction Experiment

NASA Astrophysics Data System (ADS)

Soirat, Arnaud J. A.

Density Matrix Theory is a Quantum Mechanical formalism in which the wavefunction is eliminated and its role taken over by reduced density matrices. The interest of this is that, it allows one, in principle, to calculate any electronic property of a physical system, without having to solve the Schrodinger equation, using only two entities much simpler than an N-body wavefunction: first and second -order reduced density matrices. In practice, though, this very promising possibility faces the tremendous theoretical problem of N-representability, which has been solved for the former, but, until now, voids any hope of theoretically determining the latter. However, it has been shown that single determinant reduced density matrices of any order may be recovered from coherent X-ray diffraction data, if one provides a proper Quantum Mechanical description of the Crystallography experiment. A deeper investigation of this method is the purpose of this work, where we, first, further study the calculation of X-ray reduced density matrices N-representable by a single Slater determinant. In this context, we independently derive necessary and sufficient conditions for the uniqueness of the method. We then show how to account for electron correlation in this model. For the first time, indeed, we derive highly accurate, yet practical, density matrices approximately N-representable by correlated-determinant wavefunctions. The interest of such a result lies in the Quantum Mechanical validity of these density matrices, their property of being entirely obtainable from X-ray coherent diffraction data, their very high accuracy conferred by this known property of the N-representing wavefunction, as well as their definition as explicit functionals of the density. All of these properties are finally used in both a theoretical and a numerical application: in the former, we show that these density matrices may be used in the context of Density Functional Theory to highly accurately determine the unknown HK functional, associated with the theorem of Hohenberg and Kohn. The latter is provided by the calculation of helium correlation energy, where we test approximating the second-order density function by the leading term of its McLaurin's series expansion.

Volume and density changes of biological fluids with temperature

NASA Technical Reports Server (NTRS)

Hinghofer-Szalkay, H.

1985-01-01

The thermal expansion of human blood, plasma, ultrafiltrate, and erythrocycte concentration at temperatures in the range of 4-48 C is studied. The mechanical oscillator technique which has an accuracy of 1 x 10 to the -5 th g/ml is utilized to measure fluid density. The relationship between thermal expansion, density, and temperature is analyzed. The study reveals that: (1) thermal expansion increases with increasing temperature; (2) the magnitude of the increase declines with increasing temperature; (3) thermal expansion increases with density at temperatures below 40 C; and (4) the thermal expansion of intracellular fluid is greater than that of extracellular fluid in the temperature range of 4-10 C, but it is equal at temperatures greater than or equal to 40 C.

Symbolic computation of the Hartree-Fock energy from a chiral EFT three-nucleon interaction at N 2LO

NASA Astrophysics Data System (ADS)

Gebremariam, B.; Bogner, S. K.; Duguet, T.

2010-06-01

We present the first of a two-part Mathematica notebook collection that implements a symbolic approach for the application of the density matrix expansion (DME) to the Hartree-Fock (HF) energy from a chiral effective field theory (EFT) three-nucleon interaction at N 2LO. The final output from the notebooks is a Skyrme-like energy density functional that provides a quasi-local approximation to the non-local HF energy. In this paper, we discuss the derivation of the HF energy and its simplification in terms of the scalar/vector-isoscalar/isovector parts of the one-body density matrix. Furthermore, a set of steps is described and illustrated on how to extend the approach to other three-nucleon interactions. Program summaryProgram title: SymbHFNNN Catalogue identifier: AEGC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 96 666 No. of bytes in distributed program, including test data, etc.: 378 083 Distribution format: tar.gz Programming language: Mathematica 7.1 Computer: Any computer running Mathematica 6.0 and later versions Operating system: Windows Xp, Linux/Unix RAM: 256 Mb Classification: 5, 17.16, 17.22 Nature of problem: The calculation of the HF energy from the chiral EFT three-nucleon interaction at N 2LO involves tremendous spin-isospin algebra. The problem is compounded by the need to eventually obtain a quasi-local approximation to the HF energy, which requires the HF energy to be expressed in terms of scalar/vector-isoscalar/isovector parts of the one-body density matrix. The Mathematica notebooks discussed in this paper solve the latter issue. Solution method: The HF energy from the chiral EFT three-nucleon interaction at N 2LO is cast into a form suitable for an automatic simplification of the spin-isospin traces. Several Mathematica functions and symbolic manipulation techniques are used to obtain the result in terms of the scalar/vector-isoscalar/isovector parts of the one-body density matrix. Running time: Several hours

Compact perturbative expressions for neutrino oscillations in matter

DOE PAGES

Denton, Peter B.; Minakata, Hisakazu; Parke, Stephen J.

2016-06-08

We further develop and extend a recent perturbative framework for neutrino oscillations in uniform matter density so that the resulting oscillation probabilities are accurate for the complete matter potential versus baseline divided by neutrino energy plane. This extension also gives the exact oscillation probabilities in vacuum for all values of baseline divided by neutrino energy. The expansion parameter used is related to the ratio of the solar to the atmosphericmore » $$\\Delta m^2$$ scales but with a unique choice of the atmospheric $$\\Delta m^2$$ such that certain first-order effects are taken into account in the zeroth-order Hamiltonian. Using a mixing matrix formulation, this framework has the exceptional feature that the neutrino oscillation probability in matter has the same structure as in vacuum, to all orders in the expansion parameter. It also contains all orders in the matter potential and $$\\sin\\theta_{13}$$. It facilitates immediate physical interpretation of the analytic results, and makes the expressions for the neutrino oscillation probabilities extremely compact and very accurate even at zeroth order in our perturbative expansion. Furthermore, the first and second order results are also given which improve the precision by approximately two or more orders of magnitude per perturbative order.« less

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

Ko, L.F.

Calculations for the two-point correlation functions in the scaling limit for two statistical models are presented. In Part I, the Ising model with a linear defect is studied for T < T/sub c/ and T > T/sub c/. The transfer matrix method of Onsager and Kaufman is used. The energy-density correlation is given by functions related to the modified Bessel functions. The dispersion expansion for the spin-spin correlation functions are derived. The dominant behavior for large separations at T not equal to T/sub c/ is extracted. It is shown that these expansions lead to systems of Fredholm integral equations. Inmore » Part II, the electric correlation function of the eight-vertex model for T < T/sub c/ is studied. The eight vertex model decouples to two independent Ising models when the four spin coupling vanishes. To first order in the four-spin coupling, the electric correlation function is related to a three-point function of the Ising model. This relation is systematically investigated and the full dispersion expansion (to first order in four-spin coupling) is obtained. The results is a new kind of structure which, unlike those of many solvable models, is apparently not expressible in terms of linear integral equations.« less

Transverse thermal expansion of carbon fiber/epoxy matrix composites

NASA Technical Reports Server (NTRS)

Helmer, J. F.; Diefendorf, R. J.

1983-01-01

Thermal expansion coefficients and moduli of elasticity have been determined experimentally for a series of epoxy-matrix composites reinforced with carbon and Kevlar fibers. It is found that in the transverse direction the difference between the properties of the fiber and the matrix is not as pronounced as in the longitudinal direction, where the composite properties are fiber-dominated. Therefore, the pattern of fiber packing tends to affect transverse composite properties. The transverse properties of the composites tested are examined from the standpoint of the concept of homogeneity defined as the variation of packing (or lack thereof) throughout a sample.

Evolution of density-dependent movement during experimental range expansions.

PubMed

Fronhofer, E A; Gut, S; Altermatt, F

2017-12-01

Range expansions and biological invasions are prime examples of transient processes that are likely impacted by rapid evolutionary changes. As a spatial process, range expansions are driven by dispersal and movement behaviour. Although it is widely accepted that dispersal and movement may be context-dependent, for instance density-dependent, and best represented by reaction norms, the evolution of density-dependent movement during range expansions has received little experimental attention. We therefore tested current theory predicting the evolution of increased movement at low densities at range margins using highly replicated and controlled range expansion experiments across multiple genotypes of the protist model system Tetrahymena thermophila. Although rare, we found evolutionary changes during range expansions even in the absence of initial standing genetic variation. Range expansions led to the evolution of negatively density-dependent movement at range margins. In addition, we report the evolution of increased intrastrain competitive ability and concurrently decreased population growth rates in range cores. Our findings highlight the importance of understanding movement and dispersal as evolving reaction norms and plastic life-history traits of central relevance for range expansions, biological invasions and the dynamics of spatially structured systems in general. © 2017 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2017 European Society For Evolutionary Biology.

Micromechanics investigation of expansive reactions in chemoelastic concrete.

PubMed

Lemarchand, Eric; Dormieux, Luc; Ulm, Franz-Josef

2005-11-15

Expansive reactions damage porous materials through the formation of reaction products of a volume in excess of the available space left by the reactants and the natural porosity of the material. This leads to pressurizing the pore space accessible to the reaction products, which differs when the chemical reaction is through-solution or topochemical or both in nature. This paper investigates expansive reactions from a micromechanical point of view, which allows bridging the scale from the local chemo-mechanical mechanisms to the macroscopically observable stress-free expansion. In particular, the study of the effect of morphology of the pore space, in which the chemical expansion occurs locally, on the macroscopically observable expansion is the main focus of this paper. The first part revisits the through-solution and the topochemical reaction mechanism within the framework of micro-macro-homogenization theories, and the effect of the microscopic geometry of pores and microcracks in the solid matrix on the macroscopic chemical expansion is examined. The second part deals with the transition from a topochemical to a through-solution-like mechanism that occurs in a solid matrix with inclusions (cracks, pores) of different morphology.

A Generalized Sampling and Preconditioning Scheme for Sparse Approximation of Polynomial Chaos Expansions

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

Jakeman, John D.; Narayan, Akil; Zhou, Tao

We propose an algorithm for recovering sparse orthogonal polynomial expansions via collocation. A standard sampling approach for recovering sparse polynomials uses Monte Carlo sampling, from the density of orthogonality, which results in poor function recovery when the polynomial degree is high. Our proposed approach aims to mitigate this limitation by sampling with respect to the weighted equilibrium measure of the parametric domain and subsequently solves a preconditionedmore » $$\\ell^1$$-minimization problem, where the weights of the diagonal preconditioning matrix are given by evaluations of the Christoffel function. Our algorithm can be applied to a wide class of orthogonal polynomial families on bounded and unbounded domains, including all classical families. We present theoretical analysis to motivate the algorithm and numerical results that show our method is superior to standard Monte Carlo methods in many situations of interest. In conclusion, numerical examples are also provided to demonstrate that our proposed algorithm leads to comparable or improved accuracy even when compared with Legendre- and Hermite-specific algorithms.« less

A Generalized Sampling and Preconditioning Scheme for Sparse Approximation of Polynomial Chaos Expansions

DOE PAGES

Jakeman, John D.; Narayan, Akil; Zhou, Tao

2017-06-22

We propose an algorithm for recovering sparse orthogonal polynomial expansions via collocation. A standard sampling approach for recovering sparse polynomials uses Monte Carlo sampling, from the density of orthogonality, which results in poor function recovery when the polynomial degree is high. Our proposed approach aims to mitigate this limitation by sampling with respect to the weighted equilibrium measure of the parametric domain and subsequently solves a preconditionedmore » $$\\ell^1$$-minimization problem, where the weights of the diagonal preconditioning matrix are given by evaluations of the Christoffel function. Our algorithm can be applied to a wide class of orthogonal polynomial families on bounded and unbounded domains, including all classical families. We present theoretical analysis to motivate the algorithm and numerical results that show our method is superior to standard Monte Carlo methods in many situations of interest. In conclusion, numerical examples are also provided to demonstrate that our proposed algorithm leads to comparable or improved accuracy even when compared with Legendre- and Hermite-specific algorithms.« less

Sintering Behavior of Hypereutectic Aluminum-Silicon Metal Matrix Composites Powder

NASA Astrophysics Data System (ADS)

Rudianto, Haris; Sun, Yang Sang; Jin, Kim Yong; Woo, Nam Ki

Lightweight materials of Aluminum-Silicon P/M alloys offer the advantage of high-wear resistance, high strength, good temperature resistance, and a low coefficient of thermal expansion. An A359 MMC alloy was mixed together with Alumix 231 in this research. Powders were compacted with compaction pressure up to 700 MPa. Particle size and compaction pressure influenced green density. Compacted powders were sintered in a tube furnace under a flowing nitrogen gas. Sintering temperature, heating rate and sintering time were verified to determine best sintering conditions of the alloys. Chemical composition also contributed to gain higher sintered density. Precipitation strengthening method was used to improve mechanical properties of this materials.T6 heat treatment was carried out to produce fine precipitates to impede movement of dislocation. The chemical composition of this materials allow for the potential formation of several strengthening precipitates including θ (Al2Cu) and β (Mg2Si).

A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems.

PubMed

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-05

The method of constructing semilocal density functional for exchange in two dimensions using one of the premier approaches, i.e., density matrix expansion, is revisited, and an accurate functional is constructed. The form of the functional is quite simple and includes no adjustable semiempirical parameters. In it, the kinetic energy dependent momentum is used to compensate nonlocal effects of the system. The functional is then examined by considering the very well-known semiconductor quantum dot systems. And despite its very simple form, the results obtained for quantum dots containing a higher number of electrons agrees pretty well with that of the standard exact exchange theory. Some of the desired properties relevant for the two-dimensional exchange functional and the lower bound associated with it are also discussed. It is observed that the above parameter-free semilocal exchange functional satisfies most of the discussed conditions.

Thermal expansion of composites: Methods and results. [large space structures

NASA Technical Reports Server (NTRS)

Bowles, D. E.; Tenney, D. R.

1981-01-01

The factors controlling the dimensional stability of various components of large space structures were investigated. Cyclic, thermal and mechanical loading were identified as the primary controlling factors of the dimensional stability of cables. For organic matrix composites, such as graphite-epoxy, it was found that these factors include moisture desorption in the space environment, thermal expansion as the structure moves from the sunlight to shadow in its orbit, mechanical loading, and microyielding of the material caused by microcracking of the matrix material. The major focus was placed on the thermal expansion of composites and in particular the development and testing of a method for its measurement.

Computational Investigation of Structured Shocks in Al/SiC-Particulate Metal-Matrix Composites

DTIC Science & Technology

2011-06-01

used to implement the dynamic-mixture model into the VUMAT user-material subroutine of ABAQUS /Explicit. Owing to the attendant large strains and...that the residual thermal - expansion effects are more pronounced in the aluminium-matrix than in SiC-particulates. This finding is consistent with the...simple waves (CSWs) (Davison, 2008). . In accordance with the previously observed larger thermal - expansion effects in Al, Figure 5(b) shows that the

Elasto-plastic analysis of interface layers for fiber reinforced metal matrix composites

NASA Technical Reports Server (NTRS)

Doghri, I.; Leckie, F. A.

1991-01-01

The mismatch in coefficients of thermal expansion (CTE) of fiber and matrix in metal matrix composites reinforced with ceramic fibers induces high thermal stresses in the matrix. Elasto-plastic analyses - with different degrees of simplification and modelization - show that an interface layer with a sufficiently high CTE can reduce the tensile hoop stress in the matrix substantially.

Aspects géométriques et intégrables des modèles de matrices aléatoires

NASA Astrophysics Data System (ADS)

Marchal, Olivier

2010-12-01

This thesis deals with the geometric and integrable aspects associated with random matrix models. Its purpose is to provide various applications of random matrix theory, from algebraic geometry to partial differential equations of integrable systems. The variety of these applications shows why matrix models are important from a mathematical point of view. First, the thesis will focus on the study of the merging of two intervals of the eigenvalues density near a singular point. Specifically, we will show why this special limit gives universal equations from the Painlevé II hierarchy of integrable systems theory. Then, following the approach of (bi) orthogonal polynomials introduced by Mehta to compute partition functions, we will find Riemann-Hilbert and isomonodromic problems connected to matrix models, making the link with the theory of Jimbo, Miwa and Ueno. In particular, we will describe how the hermitian two-matrix models provide a degenerate case of Jimbo-Miwa-Ueno's theory that we will generalize in this context. Furthermore, the loop equations method, with its central notions of spectral curve and topological expansion, will lead to the symplectic invariants of algebraic geometry recently proposed by Eynard and Orantin. This last point will be generalized to the case of non-hermitian matrix models (arbitrary beta) paving the way to "quantum algebraic geometry" and to the generalization of symplectic invariants to "quantum curves". Finally, this set up will be applied to combinatorics in the context of topological string theory, with the explicit computation of an hermitian random matrix model enumerating the Gromov-Witten invariants of a toric Calabi-Yau threefold.

Multipole expansions and Fock symmetry of the hydrogen atom

NASA Astrophysics Data System (ADS)

Meremianin, A. V.; Rost, J.-M.

2006-10-01

The main difficulty in utilizing the O(4) symmetry of the hydrogen atom in practical calculations is the dependence of the Fock stereographic projection on energy. This is due to the fact that the wavefunctions of the states with different energies are proportional to the hyperspherical harmonics (HSH) corresponding to different points on the hypersphere. Thus, the calculation of the matrix elements reduces to the problem of re-expanding HSH in terms of HSH depending on different points on the hypersphere. We solve this problem by applying the technique of multipole expansions for four-dimensional HSH. As a result, we obtain the multipole expansions whose coefficients are the matrix elements of the boost operator taken between hydrogen wavefunctions (i.e., hydrogen form factors). The explicit expressions for those coefficients are derived. It is shown that the hydrogen matrix elements can be presented as derivatives of an elementary function. Such an operator representation is convenient for the derivation of recurrence relations connecting matrix elements between states corresponding to different values of the quantum numbers n and l.

Density measurements in low pressure, weakly magnetized, RF plasmas: experimental verification of the sheath expansion effect

NASA Astrophysics Data System (ADS)

Zhang, Yunchao; Charles, Christine; Boswell, Roderick W.

2017-07-01

This experimental study shows the validity of Sheridan's method in determining plasma density in low pressure, weakly magnetized, RF plasmas using ion saturation current data measured by a planar Langmuir probe. The ion density derived from Sheridan's method which takes into account the sheath expansion around the negatively biased probe tip, presents a good consistency with the electron density measured by a cylindrical RF-compensated Langmuir probe using the Druyvesteyn theory. The ion density obtained from the simplified method which neglects the sheath expansion effect, overestimates the true density magnitude, e.g., by a factor of 3 to 12 for the present experiment.

Flexibility-Rigidity Coordination of the Dense Exopolysaccharide Matrix in Terrestrial Cyanobacteria Acclimated to Periodic Desiccation.

PubMed

Liu, Wen; Cui, Lijuan; Xu, Haiyan; Zhu, Zhaoxia; Gao, Xiang

2017-11-15

A dense exopolysaccharide (EPS) matrix is crucial for cyanobacterial survival in terrestrial xeric environments, in which cyanobacteria undergo frequent expansion and shrinkage processes during environmental desiccation-rehydration cycles. However, it is unclear how terrestrial cyanobacteria coordinate the structural dynamics of the EPS matrix upon expansion and shrinkage to avoid potential mechanical stress while benefiting from the matrix. In the present study, we sought to answer this question by investigating the gene expression, protein dynamics, enzymatic characteristics, and biological roles of WspA, an abundantly secreted protein, in the representative terrestrial cyanobacterium Nostoc flagelliforme The results demonstrated that WspA is a novel β-galactosidase that facilitates softening of the EPS matrix by breaking the polysaccharide backbone under substantial moisture or facilitates the thickening and relinkage of the broken matrix during the drying process, and thus these regulations are well correlated with moisture availability or desiccation-rehydration cycles. This coordination of flexibility and rigidity of the cyanobacterial extracellular matrix may contribute to a favorable balance of cell growth and stress resistance in xeric environments. IMPORTANCE How the exopolysaccharide matrix is dynamically coordinated by exoproteins to cope with frequent expansion and shrinkage processes in terrestrial colonial cyanobacteria remains unclear. Here we elucidated the biochemical identity and biological roles of a dominant exoprotein in these regulation processes. Our study thus gained insight into this regulative mechanism in cyanobacteria to combat periodic desiccation. In addition, the filamentous drought-adapted cyanobacterium Nostoc flagelliforme serves as an ideal model for us to explore this issue in this study. Copyright © 2017 American Society for Microbiology.

Mechanical Properties of Steel Encapsulated Metal Matrix Composites

NASA Astrophysics Data System (ADS)

Fudger, Sean; Klier, Eric; Karandikar, Prashant; McWilliams, Brandon; Ni, Chaoying

This research evaluates a coefficient of thermal expansion (CTE) mismatch induced residual compressive stress approach as a means of improving the ductility of metal matrix composites (MMCs). MMCs are frequently incorporated into advanced material systems due to their tailorable material properties. However, they often have insufficient strength and ductility for many structural applications. By combining MMCs with high strength steels in a hybridized, macro composite materials system that exploits the CTE mismatch, materials systems with improved strength, damage tolerance, and structural efficiency can be obtained. Macro hybridized systems consisting of steel encapsulated light metal MMCs were produced with the goal of creating a system which takes advantage of the high strength, modulus, and damage tolerance of steels and high specific stiffness and low density of MMCs while mitigating the high density of steels and the poor ductility of MMCs. Aluminum and magnesium based particulate reinforced MMCs combine many of the desirable characteristic of metals and ceramics, particularly the unique ability to tailor their CTE. This work aims to compare the performance of macro hybridized material systems consisting of aluminum or magnesium MMCs reinforced with Al2O3, SiC, or B4C particles and encapsulated by A36 steel, 304 stainless steel, or cold worked Nitronic® 50 stainless steels.

Encapsulated Vanadium-Based Hybrids in Amorphous N-Doped Carbon Matrix as Anode Materials for Lithium-Ion Batteries.

PubMed

Long, Bei; Balogun, Muhammad-Sadeeq; Luo, Lei; Luo, Yang; Qiu, Weitao; Song, Shuqin; Zhang, Lei; Tong, Yexiang

2017-11-01

Recently, researchers have made significant advancement in employing transition metal compound hybrids as anode material for lithium-ion batteries and developing simple preparation of these hybrids. To this end, this study reports a facile and scalable method for fabricating a vanadium oxide-nitride composite encapsulated in amorphous carbon matrix by simply mixing ammonium metavanadate and melamine as anode materials for lithium-ion batteries. By tuning the annealing temperature of the mixture, different hybrids of vanadium oxide-nitride compounds are synthesized. The electrode material prepared at 700 °C, i.e., VM-700, exhibits excellent cyclic stability retaining 92% of its reversible capacity after 200 cycles at a current density of 0.5 A g -1 and attractive rate performance (220 mAh g -1 ) under the current density of up to 2 A g -1 . The outstanding electrochemical properties can be attributed to the synergistic effect from heterojunction form by the vanadium compound hybrids, the improved ability of the excellent conductive carbon for electron transfer, and restraining the expansion and aggregation of vanadium oxide-nitride in cycling. These interesting findings will provide a reference for the preparation of transition metal oxide and nitride composites as well. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Carbonate fuel cell matrix

DOEpatents

Farooque, Mohammad; Yuh, Chao-Yi

1996-01-01

A carbonate fuel cell matrix comprising support particles and crack attenuator particles which are made platelet in shape to increase the resistance of the matrix to through cracking. Also disclosed is a matrix having porous crack attenuator particles and a matrix whose crack attenuator particles have a thermal coefficient of expansion which is significantly different from that of the support particles, and a method of making platelet-shaped crack attenuator particles.

The isolation and in vitro expansion of hepatic Sca-1 progenitor cells

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

Clayton, Elizabeth, E-mail: Elizabeth.Clayton@ed.ac.uk; Forbes, Stuart J.

2009-04-17

The intra-hepatic population of liver progenitor cells expands during liver injury when hepatocyte proliferation is inhibited. These cells can be purified by density gradient centrifugation and cultured. Separated by size only this population contains small cells of hematopoietic, epithelial and endothelial lineages and is thought to contain liver stem cells. The identity of liver stem cells remains unknown although there is some evidence that tissue Sca1{sup +} CD45{sup -} cells display progenitor cell characteristics. We identified both intra-hepatic and gall bladder Sca1{sup +} cells following liver injury and expanded ex vivo Sca1 cells as part of heterogenous cell culture ormore » as a purified population. We found significant difference between the proliferation of Sca-1 cells when plated on laminin or collagen I while proliferation of heterogenous population was not affected by the extracellular matrix indicating the necessity for culture of Sca1{sup +} cells with laminin matrix or laminin producing cells in long term liver progenitor cell cultures.« less

Exact formulas for multipole moments using Slater-type molecular orbitals

NASA Technical Reports Server (NTRS)

Jones, H. W.

1986-01-01

A triple infinite sum of formulas expressed as an expansion in Legendre polynomials is generated by use of computer algebra to represent the potential from the midpoint of two Slater-type orbitals; the charge density that determines the potential is given as the product of the two orbitals. An example using 1s orbitals shows that only a few terms are needed to obtain four-figure accuracy. Exact formulas are obtained for multipole moments by means of a careful study of expanded formulas, allowing an 'extrapolation to infinity'. This Loewdin alpha-function approach augmented by using a C matrix to characterize Slater-type orbitals can be readily generalized to all cases.

Instability of the cored barotropic disc: the linear eigenvalue formulation

NASA Astrophysics Data System (ADS)

Polyachenko, E. V.

2018-05-01

Gaseous rotating razor-thin discs are a testing ground for theories of spiral structure that try to explain appearance and diversity of disc galaxy patterns. These patterns are believed to arise spontaneously under the action of gravitational instability, but calculations of its characteristics in the gas are mostly obscured. The paper suggests a new method for finding the spiral patterns based on an expansion of small amplitude perturbations over Lagrange polynomials in small radial elements. The final matrix equation is extracted from the original hydrodynamical equations without the use of an approximate theory and has a form of the linear algebraic eigenvalue problem. The method is applied to a galactic model with the cored exponential density profile.

Electronic and optical properties of GaN/AlN quantum dots with adjacent threading dislocations

NASA Astrophysics Data System (ADS)

Ye, Han; Lu, Peng-Fei; Yu, Zhong-Yuan; Yao, Wen-Jie; Chen, Zhi-Hui; Jia, Bo-Yong; Liu, Yu-Min

2010-04-01

We present a theory to simulate a coherent GaN QD with an adjacent pure edge threading dislocation by using a finite element method. The piezoelectric effects and the strain modified band edges are investigated in the framework of multi-band k · p theory to calculate the electron and the heavy hole energy levels. The linear optical absorption coefficients corresponding to the interband ground state transition are obtained via the density matrix approach and perturbation expansion method. The results indicate that the strain distribution of the threading dislocation affects the electronic structure. Moreover, the ground state transition behaviour is also influenced by the position of the adjacent threading dislocation.

High sulfur loading cathodes fabricated using peapodlike, large pore volume mesoporous carbon for lithium-sulfur battery.

PubMed

Li, Duo; Han, Fei; Wang, Shuai; Cheng, Fei; Sun, Qiang; Li, Wen-Cui

2013-03-01

Porous carbon materials with large pore volume are crucial in loading insulated sulfur with the purpose of achieving high performance for lithium-sulfur batteries. In our study, peapodlike mesoporous carbon with interconnected pore channels and large pore volume (4.69 cm(3) g(-1)) was synthesized and used as the matrix to fabricate carbon/sulfur (C/S) composite which served as attractive cathodes for lithium-sulfur batteries. Systematic investigation of the C/S composite reveals that the carbon matrix can hold a high but suitable sulfur loading of 84 wt %, which is beneficial for improving the bulk density in practical application. Such controllable sulfur-filling also effectively allows the volume expansion of active sulfur during Li(+) insertion. Moreover, the thin carbon walls (3-4 nm) of carbon matrix not only are able to shorten the pathway of Li(+) transfer and conduct electron to overcome the poor kinetics of sulfur cathode, but also are flexible to warrant structure stability. Importantly, the peapodlike carbon shell is beneficial to increase the electrical contact for improving electronic conductivity of active sulfur. Meanwhile, polymer modification with polypyrrole coating layer further restrains polysulfides dissolution and improves the cycle stability of carbon/sulfur composites.

Locally-smeared operator product expansions

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

Monahan, Christopher; Orginos, Kostantinos

2014-12-01

We propose a "locally-smeared Operator Product Expansion" (sOPE) to decompose non-local operators in terms of a basis of locally-smeared operators. The sOPE formally connects nonperturbative matrix elements of smeared degrees of freedom, determined numerically using the gradient flow, to non-local operators in the continuum. The nonperturbative matrix elements do not suffer from power-divergent mixing on the lattice, provided the smearing scale is kept fixed in the continuum limit. The presence of this smearing scale prevents a simple connection to the standard operator product expansion and therefore requires the construction of a two-scale formalism. We demonstrate the feasibility of our approachmore » using the example of real scalar field theory.« less

Resonant-state expansion for open optical systems: generalization to magnetic, chiral, and bi-anisotropic materials

NASA Astrophysics Data System (ADS)

Muljarov, E. A.; Weiss, T.

2018-05-01

The resonant-state expansion, a recently developed powerful method in electrodynamics, is generalized here for open optical systems containing magnetic, chiral, or bi-anisotropic materials. It is shown that the key matrix eigenvalue equation of the method remains the same, but the matrix elements of the perturbation now contain variations of the permittivity, permeability, and bi-anisotropy tensors. A general normalization of resonant states in terms of the electric and magnetic fields is presented.

Carbonate fuel cell matrix

DOEpatents

Farooque, M.; Yuh, C.Y.

1996-12-03

A carbonate fuel cell matrix is described comprising support particles and crack attenuator particles which are made platelet in shape to increase the resistance of the matrix to through cracking. Also disclosed is a matrix having porous crack attenuator particles and a matrix whose crack attenuator particles have a thermal coefficient of expansion which is significantly different from that of the support particles, and a method of making platelet-shaped crack attenuator particles. 8 figs.

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

Herbrych, Jacek W.; Feiguin, Adrian E.; Dagotto, Elbio R.

Here, we present a time-dependent density-matrix renormalization group investigation of the quantum distillation process within the Fermi-Hubbard model on a quasi-one-dimensional ladder geometry. The term distillation refers to the dynamical, spatial separation of singlons and doublons in the sudden expansion of interacting particles in an optical lattice, i.e., the release of a cloud of atoms from a trapping potential. Remarkably, quantum distillation can lead to a contraction of the doublon cloud, resulting in an increased density of the doublons in the core region compared to the initial state. As a main result, we show that this phenomenon is not limitedmore » to chains that were previously studied. Interestingly, there are additional dynamical processes on the two-leg ladder such as density oscillations and self-trapping of defects that lead to a less efficient distillation process. An investigation of the time evolution starting from product states provides an explanation for this behavior. Initial product states are also considered since in optical lattice experiments, such states are often used as the initial setup. We propose configurations that lead to a fast and efficient quantum distillation.« less

Crystallization behavior and properties of BaO-Al2O3-2SiO2 glass matrices

NASA Technical Reports Server (NTRS)

Drummond, Charles H., III; Bansal, Narottam P.

1990-01-01

Glass of stoichiometric celsian composition, BaO-Al2O3-2SiO2, is a potential glass-ceramic matrix for high-temperature composites. The glass has a density of 3.39 g/cu cm, thermal expansion coefficient of 6.6 x 10(exp -6)/deg C glass transition temperature of 910 C, and dilatometric softening point of 925 C. On heat treatment, only hexacelsian crystallized out on the surface, but both celsian and hexacelsian were present in the bulk. Effects of cold isostatic pressing (CIP), sintering, and hot pressing, in the presence and absence of an additive, on the formation of the celsian phase in the glass were studied. CIP'ed samples, after appropriate heat treatments, always crystallized out as celsian whereas the presence of 5 to 10 weight percent of an additive was necessary for formation of celsian in sintered as well as hot pressed specimens. Green density increased with CIP'ing pressure but had no effect on sintered density. Hot pressing resulted in fully dense samples.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions.

PubMed

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-07

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

NASA Astrophysics Data System (ADS)

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-01

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

Colony Expansion of Socially Motile Myxococcus xanthus Cells Is Driven by Growth, Motility, and Exopolysaccharide Production

PubMed Central

Patra, Pintu; Kissoon, Kimberley; Cornejo, Isabel; Kaplan, Heidi B.; Igoshin, Oleg A.

2016-01-01

Myxococcus xanthus, a model organism for studies of multicellular behavior in bacteria, moves exclusively on solid surfaces using two distinct but coordinated motility mechanisms. One of these, social (S) motility is powered by the extension and retraction of type IV pili and requires the presence of exopolysaccharides (EPS) produced by neighboring cells. As a result, S motility requires close cell-to-cell proximity and isolated cells do not translocate. Previous studies measuring S motility by observing the colony expansion of cells deposited on agar have shown that the expansion rate increases with initial cell density, but the biophysical mechanisms involved remain largely unknown. To understand the dynamics of S motility-driven colony expansion, we developed a reaction-diffusion model describing the effects of cell density, EPS deposition and nutrient exposure on the expansion rate. Our results show that at steady state the population expands as a traveling wave with a speed determined by the interplay of cell motility and growth, a well-known characteristic of Fisher’s equation. The model explains the density-dependence of the colony expansion by demonstrating the presence of a lag phase–a transient period of very slow expansion with a duration dependent on the initial cell density. We propose that at a low initial density, more time is required for the cells to accumulate enough EPS to activate S-motility resulting in a longer lag period. Furthermore, our model makes the novel prediction that following the lag phase the population expands at a constant rate independent of the cell density. These predictions were confirmed by S motility experiments capturing long-term expansion dynamics. PMID:27362260

Colony Expansion of Socially Motile Myxococcus xanthus Cells Is Driven by Growth, Motility, and Exopolysaccharide Production.

PubMed

Patra, Pintu; Kissoon, Kimberley; Cornejo, Isabel; Kaplan, Heidi B; Igoshin, Oleg A

2016-06-01

Myxococcus xanthus, a model organism for studies of multicellular behavior in bacteria, moves exclusively on solid surfaces using two distinct but coordinated motility mechanisms. One of these, social (S) motility is powered by the extension and retraction of type IV pili and requires the presence of exopolysaccharides (EPS) produced by neighboring cells. As a result, S motility requires close cell-to-cell proximity and isolated cells do not translocate. Previous studies measuring S motility by observing the colony expansion of cells deposited on agar have shown that the expansion rate increases with initial cell density, but the biophysical mechanisms involved remain largely unknown. To understand the dynamics of S motility-driven colony expansion, we developed a reaction-diffusion model describing the effects of cell density, EPS deposition and nutrient exposure on the expansion rate. Our results show that at steady state the population expands as a traveling wave with a speed determined by the interplay of cell motility and growth, a well-known characteristic of Fisher's equation. The model explains the density-dependence of the colony expansion by demonstrating the presence of a lag phase-a transient period of very slow expansion with a duration dependent on the initial cell density. We propose that at a low initial density, more time is required for the cells to accumulate enough EPS to activate S-motility resulting in a longer lag period. Furthermore, our model makes the novel prediction that following the lag phase the population expands at a constant rate independent of the cell density. These predictions were confirmed by S motility experiments capturing long-term expansion dynamics.

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

Yu, Cun; Ren, Yang; Cui, Lishan

Under high pressure, materials usually shrink during compression as described by an equation of state. Here, we present the anomalous volume expansion behavior of a one-dimensional Nb nanowire embedded in a NiTi transforming matrix, while the matrix undergoes a pressure-induced martensitic transformation. The Nb volume expansion depends on the NiTi transition pressure range from the matrix, which is controlled by the shear strain induced by different pressure transmitting media. The transformation-induced interfacial stresses between Nb and NiTi may play a major role in this anomaly. In conclusion, our discovery sheds new light on the nano-interfacial effect on mechanical anomalies inmore » heterogeneous systems during a pressure-induced phase transition.« less

Thermal expansion behavior of LDEF metal matrix composites

NASA Technical Reports Server (NTRS)

Le, Tuyen D.; Steckel, Gary L.

1993-01-01

The thermal expansion behavior of Long Duration Exposure Facility (LDEF) metal matrix composite materials was studied by (1) analyzing the flight data that was recorded on orbit to determine the effects of orbital time and heating/cooling rates on the performance of the composite materials, and (2) characterizing and comparing the thermal expansion behavior of post-flight LDEF and lab-control samples. The flight data revealed that structures in space are subjected to nonuniform temperature distributions, and thermal conductivity of a material is an important factor in establishing a uniform temperature distribution and avoiding thermal distortion. The flight and laboratory data showed that both Gr/Al and Gr/Mg composites were stabilized after prolonged thermal cycling on orbit. However, Gr/Al composites showed more stable thermal expansion behavior than Gr/Mg composites and offer advantages for space structures particularly where very tight thermal stability requirements in addition to high material performance must be met.

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

Quantum kinetic expansion in the spin-boson model: Matrix formulation and system-bath factorized initial state.

PubMed

Gong, Zhihao; Tang, Zhoufei; Wang, Haobin; Wu, Jianlan

2017-12-28

Within the framework of the hierarchy equation of motion (HEOM), the quantum kinetic expansion (QKE) method of the spin-boson model is reformulated in the matrix representation. The equivalence between the two formulations (HEOM matrices and quantum operators) is numerically verified from the calculation of the time-integrated QKE rates. The matrix formulation of the QKE is extended to the system-bath factorized initial state. Following a one-to-one mapping between HEOM matrices and quantum operators, a quantum kinetic equation is rederived. The rate kernel is modified by an extra term following a systematic expansion over the site-site coupling. This modified QKE is numerically tested for its reliability by calculating the time-integrated rate and non-Markovian population kinetics. For an intermediate-to-strong dissipation strength and a large site-site coupling, the population transfer is found to be significantly different when the initial condition is changed from the local equilibrium to system-bath factorized state.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory

NASA Astrophysics Data System (ADS)

Jia, Weile; Lin, Lin

2017-10-01

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory.

PubMed

Jia, Weile; Lin, Lin

2017-10-14

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Ceramic matrix composite turbine engine vane

NASA Technical Reports Server (NTRS)

Prill, Lisa A. (Inventor); Schaff, Jeffery R. (Inventor); Shi, Jun (Inventor)

2012-01-01

A vane has an airfoil shell and a spar within the shell. The vane has an outboard shroud at an outboard end of the shell and an inboard platform at an inboard end of the shell. The shell includes a region having a depth-wise coefficient of thermal expansion and a second coefficient of thermal expansion transverse thereto, the depth-wise coefficient of thermal expansion being greater than the second coefficient of thermal expansion.

Atomistic modeling of thermomechanical properties of SWNT/Epoxy nanocomposites

NASA Astrophysics Data System (ADS)

Fasanella, Nicholas; Sundararaghavan, Veera

2015-09-01

Molecular dynamics simulations are performed to compute thermomechanical properties of cured epoxy resins reinforced with pristine and covalently functionalized carbon nanotubes. A DGEBA-DDS epoxy network was built using the ‘dendrimer’ growth approach where 75% of available epoxy sites were cross-linked. The epoxy model is verified through comparisons to experiments, and simulations are performed on nanotube reinforced cross-linked epoxy matrix using the CVFF force field in LAMMPS. Full stiffness matrices and linear coefficient of thermal expansion vectors are obtained for the nanocomposite. Large increases in stiffness and large decreases in thermal expansion were seen along the direction of the nanotube for both nanocomposite systems when compared to neat epoxy. The direction transverse to nanotube saw a 40% increase in stiffness due to covalent functionalization over neat epoxy at 1 K whereas the pristine nanotube system only saw a 7% increase due to van der Waals effects. The functionalized SWNT/epoxy nanocomposite showed an additional 42% decrease in thermal expansion along the nanotube direction when compared to the pristine SWNT/epoxy nanocomposite. The stiffness matrices are rotated over every possible orientation to simulate the effects of an isotropic system of randomly oriented nanotubes in the epoxy. The randomly oriented covalently functionalized SWNT/Epoxy nanocomposites showed substantial improvements over the plain epoxy in terms of higher stiffness (200% increase) and lower thermal expansion (32% reduction). Through MD simulations, we develop means to build simulation cells, perform annealing to reach correct densities, compute thermomechanical properties and compare with experiments.

Measurements of LGS, LGN, and LGT thermal coefficients of expansion and density.

PubMed

Malocha, Donald C; François-Saint-Cyr, Hugues; Richardson, Kathleen; Helmbold, Robert

2002-03-01

This paper will report on the measurements of the thermal coefficients of expansion and density of langasite (LGS), langanite (LGN), and langatate (LGT). The data were obtained by fabricating cubes with X, Y, and Z faces with nominal dimensions of 1 cm on a side for each material under test. The techniques used for measurement of density and thermal coefficients of expansion (TCE) of the materials are discussed. The data sets obtained and the extracted coefficients are presented.

Combined micromechanical and fabrication process optimization for metal-matrix composites

NASA Technical Reports Server (NTRS)

Morel, M.; Saravanos, D. A.; Chamis, C. C.

1991-01-01

A method is presented to minimize the residual matrix stresses in metal matrix composites. Fabrication parameters such as temperature and consolidation pressure are optimized concurrently with the characteristics (i.e., modulus, coefficient of thermal expansion, strength, and interphase thickness) of a fiber-matrix interphase. By including the interphase properties in the fabrication process, lower residual stresses are achievable. Results for an ultra-high modulus graphite (P100)/copper composite show a reduction of 21 percent for the maximum matrix microstress when optimizing the fabrication process alone. Concurrent optimization of the fabrication process and interphase properties show a 41 percent decrease in the maximum microstress. Therefore, this optimization method demonstrates the capability of reducing residual microstresses by altering the temperature and consolidation pressure histories and tailoring the interphase properties for an improved composite material. In addition, the results indicate that the consolidation pressures are the most important fabrication parameters, and the coefficient of thermal expansion is the most critical interphase property.

Concurrent micromechanical tailoring and fabrication process optimization for metal-matrix composites

NASA Technical Reports Server (NTRS)

Morel, M.; Saravanos, D. A.; Chamis, Christos C.

1990-01-01

A method is presented to minimize the residual matrix stresses in metal matrix composites. Fabrication parameters such as temperature and consolidation pressure are optimized concurrently with the characteristics (i.e., modulus, coefficient of thermal expansion, strength, and interphase thickness) of a fiber-matrix interphase. By including the interphase properties in the fabrication process, lower residual stresses are achievable. Results for an ultra-high modulus graphite (P100)/copper composite show a reduction of 21 percent for the maximum matrix microstress when optimizing the fabrication process alone. Concurrent optimization of the fabrication process and interphase properties show a 41 percent decrease in the maximum microstress. Therefore, this optimization method demonstrates the capability of reducing residual microstresses by altering the temperature and consolidation pressure histories and tailoring the interphase properties for an improved composite material. In addition, the results indicate that the consolidation pressures are the most important fabrication parameters, and the coefficient of thermal expansion is the most critical interphase property.

Synoviocyte Derived-Extracellular Matrix Enhances Human Articular Chondrocyte Proliferation and Maintains Re-Differentiation Capacity at Both Low and Atmospheric Oxygen Tensions

PubMed Central

Kean, Thomas J.; Dennis, James E.

2015-01-01

Background Current tissue engineering methods are insufficient for total joint resurfacing, and chondrocytes undergo de-differentiation when expanded on tissue culture plastic. De-differentiated chondrocytes show poor re-differentiation in culture, giving reduced glycosaminoglycan (GAG) and collagen matrix accumulation. To address this, porcine synoviocyte-derived extracellular matrix and low (5%) oxygen tension were assessed for their ability to enhance human articular chondrocyte expansion and maintain re-differentiation potential. Methods Porcine synoviocyte matrices were devitalized using 3 non-detergent methods. These devitalized synoviocyte matrices were compared against tissue culture plastic for their ability to support human chondrocyte expansion. Expansion was further compared at both low (5%), and atmospheric (20%) oxygen tension on all surfaces. Expanded cells then underwent chondrogenic re-differentiation in aggregate culture at both low and atmospheric oxygen tension. Aggregates were assessed for their GAG and collagen content both biochemically and histologically. Results Human chondrocytes expanded twice as fast on devitalized synoviocyte matrix vs. tissue culture plastic, and cells retained their re-differentiation capacity for twice the number of population doublings. There was no significant difference in growth rate between low and atmospheric oxygen tension. There was significantly less collagen type I, collagen type II, aggrecan and more MMP13 expression in cells expanded on synoviocyte matrix vs. tissue culture plastic. There were also significant effects due to oxygen tension on gene expression, wherein there was greater collagen type I, collagen type II, SOX9 and less MMP13 expression on tissue culture plastic compared to synoviocyte matrix. There was a significant increase in GAG, but not collagen, accumulation in chondrocyte aggregates re-differentiated at low oxygen tension over that achieved in atmospheric oxygen conditions. Conclusions Synoviocyte-derived matrix supports enhanced expansion of human chondrocytes such that the chondrocytes are maintained in a state from which they can re-differentiate into a cartilage phenotype after significantly more population doublings. Also, low oxygen tension supports GAG, but not collagen, accumulation. These findings are a step towards the production of a more functional, tissue engineered cartilage. PMID:26075742

Carbon/tin oxide composite electrodes for improved lithium-ion batteries

DOE PAGES

Li, Yunchao; Levine, Alan M.; Zhang, Jinshui; ...

2018-05-17

Tin and tin oxide-based electrodes are promising high-capacity anodes for lithium-ion batteries. However, poor capacity retention is the major issue with these materials due to the large volumetric expansion that occurs when lithium is alloyed with tin during lithiation and delithiation process. Here, a method to prepare a low-cost, scalable carbon and tin(II) oxide composite anode is reported. The composite material was prepared by ball milling of carbon recovered from used tire powders with 25 wt% tin(II) oxide to form lithium-ion battery anode. With the impact of energy from the ball milling, tin oxide powders were uniformly distributed inside themore » pores of waste-tire-derived carbon. During lithiation and delithiation, the carbon matrix can effectively absorb the volume expansion caused by tin, thereby minimizing pulverization and capacity fade of the electrodes. In conclusion, the as-synthesized anode yielded a capacity of 690 mAh g –1 after 300 cycles at a current density of 40 mA g –1 with a stable battery performance.« less

Thermality and excited state Rényi entropy in two-dimensional CFT

NASA Astrophysics Data System (ADS)

Lin, Feng-Li; Wang, Huajia; Zhang, Jia-ju

2016-11-01

We evaluate one-interval Rényi entropy and entanglement entropy for the excited states of two-dimensional conformal field theory (CFT) on a cylinder, and examine their differences from the ones for the thermal state. We assume the interval to be short so that we can use operator product expansion (OPE) of twist operators to calculate Rényi entropy in terms of sum of one-point functions of OPE blocks. We find that the entanglement entropy for highly excited state and thermal state behave the same way after appropriate identification of the conformal weight of the state with the temperature. However, there exists no such universal identification for the Rényi entropy in the short-interval expansion. Therefore, the highly excited state does not look thermal when comparing its Rényi entropy to the thermal state one. As the Rényi entropy captures the higher moments of the reduced density matrix but the entanglement entropy only the average, our results imply that the emergence of thermality depends on how refined we look into the entanglement structure of the underlying pure excited state.

Carbon/tin oxide composite electrodes for improved lithium-ion batteries

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

Li, Yunchao; Levine, Alan M.; Zhang, Jinshui

Tin and tin oxide-based electrodes are promising high-capacity anodes for lithium-ion batteries. However, poor capacity retention is the major issue with these materials due to the large volumetric expansion that occurs when lithium is alloyed with tin during lithiation and delithiation process. Here, a method to prepare a low-cost, scalable carbon and tin(II) oxide composite anode is reported. The composite material was prepared by ball milling of carbon recovered from used tire powders with 25 wt% tin(II) oxide to form lithium-ion battery anode. With the impact of energy from the ball milling, tin oxide powders were uniformly distributed inside themore » pores of waste-tire-derived carbon. During lithiation and delithiation, the carbon matrix can effectively absorb the volume expansion caused by tin, thereby minimizing pulverization and capacity fade of the electrodes. In conclusion, the as-synthesized anode yielded a capacity of 690 mAh g –1 after 300 cycles at a current density of 40 mA g –1 with a stable battery performance.« less

Ultra-lightweight optics for laser communications

NASA Astrophysics Data System (ADS)

Vukobratovich, Daniel

1990-07-01

Recent applications of the very light Al/SiC metal-matrix composite SXA in the construction of telescopes for use as receiver antennas in optical intersatellite communication systems are reviewed and illustrated with drawings and diagrams. Data on the mechanical properties (specific stiffness, fundamental frequency, dynamic response, and fracture toughness) and the thermal expansion, distortion, and diffusivity of SXA are compared with those for Al 6016-T6, Be I-70A, SiC, and Zerodur in tables, and the advantages of SXA structural foams of density 250-500 kg/cu m are indicated. The criteria evaluated for optimization of the mirror shape and the overall telescope design are discussed, and four prototype Cassegrain telescopes (with Meinel or Dall truss structures) are described in detail.

Preparation and properties of TiC-Ni cermets using Ni-plated TiC

NASA Astrophysics Data System (ADS)

Shin, Soon-Gi

2002-04-01

TiC powders were coated with Ni by a chemical plating technique and the pressed compacts sintered at 1623K. The density of the sintered bodies was 98-99%. Compared with mechanically-mixed powder, Ni-plated TiC powders gave a more uniform microstructure in which TiC particles were well dispersed in the Ni matrix. The cermets exhibited ductile fracture for TiC-70 vol.% Ni and brittle fracture for TiC-30 vol.% Ni. The flexural strength was improved by the homogeneous dispersion of TiC. The thermal expansion coefficient increased with a decrease in Ni content, following a nearly linear law of mixtures on the basis of volume fractions of pure TiC and Ni.

A Comparative Study of Collagen Matrix Density Effect on Endothelial Sprout Formation Using Experimental and Computational Approaches.

PubMed

Shamloo, Amir; Mohammadaliha, Negar; Heilshorn, Sarah C; Bauer, Amy L

2016-04-01

A thorough understanding of determining factors in angiogenesis is a necessary step to control the development of new blood vessels. Extracellular matrix density is known to have a significant influence on cellular behaviors and consequently can regulate vessel formation. The utilization of experimental platforms in combination with numerical models can be a powerful method to explore the mechanisms of new capillary sprout formation. In this study, using an integrative method, the interplay between the matrix density and angiogenesis was investigated. Owing the fact that the extracellular matrix density is a global parameter that can affect other parameters such as pore size, stiffness, cell-matrix adhesion and cross-linking, deeper understanding of the most important biomechanical or biochemical properties of the ECM causing changes in sprout morphogenesis is crucial. Here, we implemented both computational and experimental methods to analyze the mechanisms responsible for the influence of ECM density on the sprout formation that is difficult to be investigated comprehensively using each of these single methods. For this purpose, we first utilized an innovative approach to quantify the correspondence of the simulated collagen fibril density to the collagen density in the experimental part. Comparing the results of the experimental study and computational model led to some considerable achievements. First, we verified the results of the computational model using the experimental results. Then, we reported parameters such as the ratio of proliferating cells to migrating cells that was difficult to obtain from experimental study. Finally, this integrative system led to gain an understanding of the possible mechanisms responsible for the effect of ECM density on angiogenesis. The results showed that stable and long sprouts were observed at an intermediate collagen matrix density of 1.2 and 1.9 mg/ml due to a balance between the number of migrating and proliferating cells. As a result of weaker connections between the cells and matrix, a lower collagen matrix density (0.7 mg/ml) led to unstable and broken sprouts. However, higher matrix density (2.7 mg/ml) suppressed sprout formation due to the high level of matrix entanglement, which inhibited cell migration. This study also showed that extracellular matrix density can influence sprout branching. Our experimental results support this finding.

Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations.

PubMed

Jana, Subrata; Samal, Prasanjit

2017-06-29

Semilocal density functionals for the exchange-correlation energy of electrons are extensively used as they produce realistic and accurate results for finite and extended systems. The choice of techniques plays a crucial role in constructing such functionals of improved accuracy and efficiency. An accurate and efficient semilocal exchange energy functional in two dimensions is constructed by making use of the corresponding hole which is derived based on the density matrix expansion. The exchange hole involved is localized under the generalized coordinate transformation and satisfies all the relevant constraints. Comprehensive testing and excellent performance of the functional is demonstrated versus exact exchange results. The accuracy of results obtained by using the newly constructed functional is quite remarkable as it substantially reduces the errors present in the local and nonempirical exchange functionals proposed so far for two-dimensional quantum systems. The underlying principles involved in the functional construction are physically appealing and hold promise for developing range separated and nonlocal exchange functionals in two dimensions.

Internal damping due to dislocation movements induced by thermal expansion mismatch between matrix and particles in metal matrix composites. [Al/SiC

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

Girand, C.; Lormand, G.; Fougeres, R.

In metal matrix composites (MMCs), the mechanical 1 of the reinforcement-matrix interface is an important parameter because it governs the load transfer from matrix to particles, from which the mechanical properties of these materials are derived. Therefore, it would be useful to set out an experimental method able to characterize the interface and the adjacent matrix behaviors. Thus, a study has been undertaken by means of internal damping (I.D.) measurements, which are well known to be very sensitive for studying irreversible displacements at the atomic scale. More especially, this investigation is based on the fact that, during cooling of MMC's,more » stress concentrations originating from differences in coefficients of thermal expansion (C.T.E.) of matrix and particles should induce dislocation movements in the matrix surrounding the reinforcement; that is, local microplastic strains occur. Therefore, during I.D. measurements vs temperature these movements should contribute to MMCs I.D. in a process similar to those involved around first order phase transitions in solids. The aim of this paper is to present, in the case of Al/SiC particulate composites, new developments of this approach that has previously led to promising results in the case of Al-Si alloys.« less

Decoherence, discord, and the quantum master equation for cosmological perturbations

NASA Astrophysics Data System (ADS)

Hollowood, Timothy J.; McDonald, Jamie I.

2017-05-01

We examine environmental decoherence of cosmological perturbations in order to study the quantum-to-classical transition and the impact of noise on entanglement during inflation. Given an explicit interaction between the system and environment, we derive a quantum master equation for the reduced density matrix of perturbations, drawing parallels with quantum Brownian motion, where we see the emergence of fluctuation and dissipation terms. Although the master equation is not in Lindblad form, we see how typical solutions exhibit positivity on super-horizon scales, leading to a physically meaningful density matrix. This allows us to write down a Langevin equation with stochastic noise for the classical trajectories which emerge from the quantum system on super-horizon scales. In particular, we find that environmental decoherence increases in strength as modes exit the horizon, with the growth driven essentially by white noise coming from local contributions to environmental correlations. Finally, we use our master equation to quantify the strength of quantum correlations as captured by discord. We show that environmental interactions have a tendency to decrease the size of the discord and that these effects are determined by the relative strength of the expansion rate and interaction rate of the environment. We interpret this in terms of the competing effects of particle creation versus environmental fluctuations, which tend to increase and decrease the discord respectively.

A reformulation of the coupled perturbed self-consistent field equations entirely within a local atomic orbital density matrix-based scheme

NASA Astrophysics Data System (ADS)

Ochsenfeld, Christian; Head-Gordon, Martin

1997-05-01

To exploit the exponential decay found in numerical studies for the density matrix and its derivative with respect to nuclear displacements, we reformulate the coupled perturbed self-consistent field (CPSCF) equations and a quadratically convergent SCF (QCSCF) method for Hartree-Fock and density functional theory within a local density matrix-based scheme. Our D-CPSCF (density matrix-based CPSCF) and D-QCSCF schemes open the way for exploiting sparsity and to achieve asymptotically linear scaling of computational complexity with molecular size ( M), in case of D-CPSCF for all O( M) derivative densities. Furthermore, these methods are even for small molecules strongly competitive to conventional algorithms.

Evaluating population expansion of black bears using spatial capture-recapture

USGS Publications Warehouse

Sun, Catherine C.; Fuller, Angela K.; Hare, Matthew P.; Hurst, Jeremy E.

2017-01-01

The population of American black bears (Ursus americanus) in southern New York, USA has been growing and expanding in range since the 1990s. This has motivated a need to anticipate future patterns of range expansion. We conducted a non-invasive, genetic, spatial capture-recapture (SCR) study to estimate black bear density and identify spatial patterns of population density that are potentially associated with range expansion. We collected hair samples in a 2,519-km2 study area in southern New York with barbed-wire hair snares and identified individuals and measured genetic diversity using 7 microsatellite loci and 1 sex-linked marker. We estimated a mean density of black bears in the region of 13.7 bears/100 km2, and detected a slight latitudinal gradient in density consistent with the documented range expansion. However, elevation and the amounts of forest, crop, and developed landcover types did not influence density, suggesting that bears are using a diversity of resources in this heterogeneous landscape outside their previously described distribution. These results provide the first robust baseline estimates for population density and distribution associated with different landcover types in the expanded bear range. Further, genetic diversity was comparable to that of non-expanding black bear populations in the eastern United States, and in combination with the latitudinal density gradient, suggest that the study area is not at the colonizing front of the range expansion. In addition, the diversity of landcover types used by bears in the study area implies a possible lack of constraints for further northern expansion of the black bear range. Our non-invasive, genetic, spatial capture-recapture approach has utility for studying populations of other species that may be expanding in range because SCR allows for the testing of explicit, spatial ecological hypotheses. 

Preparation and characterization of aluminium-silica metal matrix composite

NASA Astrophysics Data System (ADS)

Mallikarjuna, G. B.; Basavaraj, E.

2018-04-01

Aluminum alloys are widely used in aerospace and automobile industries due to their low density and good mechanical properties, better corrosion resistance and wear, low thermal coefficient of expansion as compared to conventional metals and alloys. The excellent properties of these materials and relatively low production cost make them a very attractive for a variety of applications. In this present work, Al alloy LM13-SiO2 composites were produced by stir casting method. The reinforcement SiO2 particle size used for preparation of composites are 106 µm, 150 µm, 250 µm and 355 µm with varying amount of 3 to 12 wt% in steps of 3. The prepared composite specimens were machined as per test standards. Effects of weight percentage of SiO2 particles on wear, tensile strength of Al alloy LM13-SiO2 composites have been investigated. The microstructures of the composites were studied to know the dispersion of the SiO2 particles in matrix. Experimental results shows that there is enhanced mechanical properties, when silica weighing 9% was added to the base aluminium alloy and also similar trend exists in all four different micron size of silica and also it has been observed that addition of SiO2 particles significantly improves wear resistance properties as compared with that of unreinforced matrix.

Metal Matrix Composite LOX Turbopump Housing Via Novel Tool-Less Net-Shape Pressure Infiltration Casting Technology

NASA Technical Reports Server (NTRS)

Shah, Sandeep; Lee, Jonathan; Bhat, Biliyar; Wells, Doug; Gregg, Wayne; Marsh, Matthew; Genge, Gary; Forbes, John; Salvi, Alex; Cornie, James A.;

Metal Matrix Composite LOX Turbopump Housing Via Novel Tool-Less Net-Shape Pressure Infiltration Casting Technology

NASA Technical Reports Server (NTRS)

Shah, Sandeep; Lee, Jonathan; Bhat, Biliyar; Wells, Doug; Gregg, Wayne; Marsh, Matthew; Genge, Gary; Forbes, John; Salvi, Alex; Cornie, James A.;

Metal Matrix Composite LOX Turbopump Housing Via Novel Tool-less Net-Shape Pressure Infiltration Casting Technology

NASA Technical Reports Server (NTRS)

Shah, Sandeep; Lee, Jonathan; Bhat, Biliyar; Wells, Doug; Gregg, Wayne; Marsh, Matthew; Genge, Gary; Forbes, John; Salvi, Alex; Cornie, James A.;

Reservoir characterization of the Upper Jurassic geothermal target formations (Molasse Basin, Germany): role of thermofacies as exploration tool

NASA Astrophysics Data System (ADS)

Homuth, S.; Götz, A. E.; Sass, I.

2015-06-01

The Upper Jurassic carbonates of the southern German Molasse Basin are the target of numerous geothermal combined heat and power production projects since the year 2000. A production-orientated reservoir characterization is therefore of high economic interest. Outcrop analogue studies enable reservoir property prediction by determination and correlation of lithofacies-related thermo- and petrophysical parameters. A thermofacies classification of the carbonate formations serves to identify heterogeneities and production zones. The hydraulic conductivity is mainly controlled by tectonic structures and karstification, whilst the type and grade of karstification is facies related. The rock permeability has only a minor effect on the reservoir's sustainability. Physical parameters determined on oven-dried samples have to be corrected, applying reservoir transfer models to water-saturated reservoir conditions. To validate these calculated parameters, a Thermo-Triaxial-Cell simulating the temperature and pressure conditions of the reservoir is used and calorimetric and thermal conductivity measurements under elevated temperature conditions are performed. Additionally, core and cutting material from a 1600 m deep research drilling and a 4850 m (total vertical depth, measured depth: 6020 m) deep well is used to validate the reservoir property predictions. Under reservoir conditions a decrease in permeability of 2-3 magnitudes is observed due to the thermal expansion of the rock matrix. For tight carbonates the matrix permeability is temperature-controlled; the thermophysical matrix parameters are density-controlled. Density increases typically with depth and especially with higher dolomite content. Therefore, thermal conductivity increases; however the dominant factor temperature also decreases the thermal conductivity. Specific heat capacity typically increases with increasing depth and temperature. The lithofacies-related characterization and prediction of reservoir properties based on outcrop and drilling data demonstrates that this approach is a powerful tool for exploration and operation of geothermal reservoirs.

SAMBA: Sparse Approximation of Moment-Based Arbitrary Polynomial Chaos

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

Ahlfeld, R., E-mail: r.ahlfeld14@imperial.ac.uk; Belkouchi, B.; Montomoli, F.

2016-09-01

A new arbitrary Polynomial Chaos (aPC) method is presented for moderately high-dimensional problems characterised by limited input data availability. The proposed methodology improves the algorithm of aPC and extends the method, that was previously only introduced as tensor product expansion, to moderately high-dimensional stochastic problems. The fundamental idea of aPC is to use the statistical moments of the input random variables to develop the polynomial chaos expansion. This approach provides the possibility to propagate continuous or discrete probability density functions and also histograms (data sets) as long as their moments exist, are finite and the determinant of the moment matrixmore » is strictly positive. For cases with limited data availability, this approach avoids bias and fitting errors caused by wrong assumptions. In this work, an alternative way to calculate the aPC is suggested, which provides the optimal polynomials, Gaussian quadrature collocation points and weights from the moments using only a handful of matrix operations on the Hankel matrix of moments. It can therefore be implemented without requiring prior knowledge about statistical data analysis or a detailed understanding of the mathematics of polynomial chaos expansions. The extension to more input variables suggested in this work, is an anisotropic and adaptive version of Smolyak's algorithm that is solely based on the moments of the input probability distributions. It is referred to as SAMBA (PC), which is short for Sparse Approximation of Moment-Based Arbitrary Polynomial Chaos. It is illustrated that for moderately high-dimensional problems (up to 20 different input variables or histograms) SAMBA can significantly simplify the calculation of sparse Gaussian quadrature rules. SAMBA's efficiency for multivariate functions with regard to data availability is further demonstrated by analysing higher order convergence and accuracy for a set of nonlinear test functions with 2, 5 and 10 different input distributions or histograms.« less

Expansion and melting of Xe nanocrystals in Si

NASA Astrophysics Data System (ADS)

Faraci, Giuseppe; Pennisi, Agata R.; Zontone, Federico; Li, Boquan; Petrov, Ivan

2006-12-01

Xe agglomerates confined in a Si matrix by ion implantation were synthesized with different size depending on the implantation process and/or the thermal treatment. At low temperature Xe nanocrystals are formed, whose expansion and melting were studied in the range 15- 300K . Previous high resolution x-ray diffraction spectra were corroborated with complementary techniques such as two-dimensional imaging plate patterns and transmission electron microscopy. We detected fcc Xe nanocrystals whose properties were size dependent. The experiments showed that in annealed samples epitaxial condensation of small Xe clusters, on the cavities of the Si matrix, gave in fact expanded and oriented Xe, suggesting a possible preferential growth of Xe(311) planes oriented orthogonally to the Si[02-2] direction. On the contrary, small Xe clusters in an amorphous Si matrix have a fcc lattice contracted as a consequence of surface tension. Furthermore, a solid-to-liquid phase transition size dependent was found. Expansion of fcc Xe lattice was accurately determined as a function of the temperature. Overpressurized nanocrystals and/or binary size distributions were disproved.

Detection of Matrix Crack Density of CFRP using an Electrical Potential Change Method with Multiple Probes

NASA Astrophysics Data System (ADS)

Todoroki, Akira; Omagari, Kazuomi

Carbon Fiber Reinforced Plastic (CFRP) laminates are adopted for fuel tank structures of next generation space rockets or automobiles. Matrix cracks may cause fuel leak or trigger fatigue damage. A monitoring system of the matrix crack density is required. The authors have developed an electrical resistance change method for the monitoring of delamination cracks in CFRP laminates. Reinforcement fibers are used as a self-sensing system. In the present study, the electric potential method is adopted for matrix crack density monitoring. Finite element analysis (FEA) was performed to investigate the possibility of monitoring matrix crack density using multiple electrodes mounted on a single surface of a specimen. The FEA reveals the matrix crack density increases electrical resistance for a target segment between electrodes. Experimental confirmation was also performed using cross-ply laminates. Eight electrodes were mounted on a single surface of a specimen using silver paste after polishing of the specimen surface with sandpaper. The two outermost electrodes applied electrical current, and the inner electrodes measured electric voltage changes. The slope of electrical resistance during reloading is revealed to be an appropriate index for the detection of matrix crack density.

Effects of processing moisture on the physical properties and in vitro digestibility of starch and protein in extruded brown rice and pinto bean composite flours.

PubMed

Sumargo, Franklin; Gulati, Paridhi; Weier, Steven A; Clarke, Jennifer; Rose, Devin J

2016-11-15

The influence of pinto bean flour and processing moisture on the physical properties and in vitro digestibility of rice-bean extrudates has been investigated. Brown rice: pinto bean flour (0%, 15%, 30%, and 45% bean flour) were extruded under 5 moisture conditions (17.2%, 18.1%, 18.3%, 19.5%, and 20.1%). Physical properties [bulk density, unit density, radial expansion, axial expansion, overall expansion, specific volume, hardness, color, water solubility index, and water absorption index] and in vitro starch and protein digestibilities were determined. Increasing bean flour and processing moisture increased density and hardness while decreasing expansion. Rapidly digestible starch decreased and resistant starch increased as bean substitution and processing moisture increased. In vitro protein digestibility increased with increasing bean flour or with decreasing processing moisture. Incorporating bean flour into extruded snacks can negatively affect physical attributes (hardness, density, and expansion) while positively affecting in vitro starch (decrease) and protein (increase) digestibilities. Copyright © 2016 Elsevier Ltd. All rights reserved.

Research on Extrusion of Rubber Composites Reinforced by Short Fibers Orientation Based on FEA

NASA Astrophysics Data System (ADS)

Zhang, Dewei; Wang, Chuansheng; Shen, Bo; Li, Shaoming; Bian, Huiguang

2018-06-01

In recent years, rubber composites reinforced by short fibers has been researched deeply, because of its good performances such as higher wear resistance, higher cut resistance and so on. Some research results indicated that if short fibers get orientation in rubber composites, the performances of rubber products could be promoted greatly. But how to make short fibers get orientation in rubber matrix during extrusion is still a real problem. And there are many parameters affect the short fibers orientation. So, in this paper, the effects of die structure including expansion-die and dam-expansion-die on extrusion flow field of short fiber and rubber composite material during extrusion process has been researched by Polyflow. And the FEA results about the pressure field, velocity field and the velocity vector of the rubber composites flow field indicate that, comparing with expansion-die and the dam-expansion-die, the latter one is better for the extrusion process of rubber composites and making short fibers get radial orientation in rubber matrix.

Semiclassical matrix model for quantum chaotic transport with time-reversal symmetry

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

Novaes, Marcel, E-mail: marcel.novaes@gmail.com

2015-10-15

We show that the semiclassical approach to chaotic quantum transport in the presence of time-reversal symmetry can be described by a matrix model. In other words, we construct a matrix integral whose perturbative expansion satisfies the semiclassical diagrammatic rules for the calculation of transport statistics. One of the virtues of this approach is that it leads very naturally to the semiclassical derivation of universal predictions from random matrix theory.

Towards a multiconfigurational method of increments

NASA Astrophysics Data System (ADS)

Fertitta, E.; Koch, D.; Paulus, B.; Barcza, G.; Legeza, Ö.

2018-06-01

The method of increments (MoI) allows one to successfully calculate cohesive energies of bulk materials with high accuracy, but it encounters difficulties when calculating dissociation curves. The reason is that its standard formalism is based on a single Hartree-Fock (HF) configuration whose orbitals are localised and used for the many-body expansion. In situations where HF does not allow a size-consistent description of the dissociation, the MoI cannot be guaranteed to yield proper results either. Herein, we address the problem by employing a size-consistent multiconfigurational reference for the MoI formalism. This leads to a matrix equation where a coupling derived by the reference itself is employed. In principle, such an approach allows one to evaluate approximate values for the ground as well as excited states energies. While the latter are accurate close to the avoided crossing only, the ground state results are very promising for the whole dissociation curve, as shown by the comparison with density matrix renormalisation group benchmarks. We tested this two-state constant-coupling MoI on beryllium rings of different sizes and studied the error introduced by the constant coupling.

Micromechanical Modeling of the Thermal Expansion of Graphite/copper Composites with Nonuniform Microstructure

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Pindera, Marek-Jerzy

1994-01-01

Two micromechanical models were developed to investigate the thermal expansion of graphite/copper (Gr/Cu) composites. The models incorporate the effects of temperature-dependent material properties, matrix inelasticity, initial residual stresses due to processing history, and nonuniform fiber distribution. The first model is based on the multiple concentric cylinder geometry, with each cylinder treated as a two-phase composite with a characteristic fiber volume fractions. By altering the fiber volume fraction of the individual cylinders, unidirectional composites with radially nonuniform fiber distributions can be investigated using this model. The second model is based on the inelastic lamination theory. By varying the fiber content in the individual laminae, composites with nonuniform fiber distribution in the thickness direction can be investigated. In both models, the properties of the individual regions (cylinders or laminae) are calculated using the method of cells micromechanical model. Classical incremental plasticity theory is used to model the inelastic response of the copper matrix at the microlevel. The models were used to characterize the effects of nonuniform fiber distribution on the thermal expansion of Gr/Cu. These effects were compared to the effects of matrix plasticity, choice of stress-free temperature, and slight fiber misalignment. It was found that the radially nonuniform fiber distribution has little effect on the thermal expansion of Gr/Cu but could become significant for composites with large fiber-matrix transverse CTE and Young's modulus mismatch. The effect of nonuniform fiber distribution in the through-thickness direction of a laminate was more significant, but only approached that of the stress-free temperature for the most extreme cases that include large amounts of bending. Subsequent comparison with experimental thermal expansion data indicated the need for more accurate characterization of the graphite fiber thermomechanical properties. Correlation with cyclic data revealed the presence of a mechanism not considered in the developed models. The predicted response did, however, exhibit ratcheting behavior that has been observed experimentally in Gr/Cu. Finally, simulation of the actual fiber distribution of particular specimens had little effect on the predicted thermal expansion.

Seamless metal-clad fiber-reinforced organic matrix composite structures and process for their manufacture

NASA Technical Reports Server (NTRS)

Bluck, Raymond M. (Inventor); Bush, Harold G. (Inventor); Johnson, Robert R. (Inventor)

1990-01-01

A metallic outer sleeve is provided which is capable of enveloping a hollow metallic inner member having continuous reinforcing fibers attached to the distal end thereof. The inner member is then introduced into outer sleeve until inner member is completely enveloped by outer sleeve. A liquid matrix member is then injected into space between inner member and outer sleeve. A pressurized heat transfer medium is flowed through the inside of inner member, thereby forming a fiber reinforced matrix composite material. The wall thicknesses of both inner member and outer sleeve are then reduced to the appropriate size by chemical etching, to adjust the thermal expansion coefficient of the metal-clad composite structure to the desired value. thereby forming a fiber reinforced matrix composite material. The wall thicknesses of both inner member and outer sleeve are then reduced to the appropriate size by chemical etching, to adjust the thermal expansion coefficient of the metal-clad composite structure to the desired value. The novelty of this invention resides in the development of a efficient method of producing seamless metal clad fiber reinforced organic matrix composite structures.

Ex Situ Investigation of Anisotropic Interconnection in Silicon-Titanium-Nickel Alloy Anode Material

DOE PAGES

Cho, Jong -Soo; Alaboina, Pankaj Kumar; Kang, Chan -Soon; ...

2017-03-10

Herein we investigate the nanostructural evolution of Silicon-Titanium-Nickel (Si-Ti-Ni) ternary alloy material synthesized by melt spinning process for advanced lithium-ion battery anode. The synthesized material was found to have nano-Silicon particles dispersed in the Ti 4Ni 4Si 7 (STN) alloy buffering matrix and was characterized by X-ray diffraction (XRD), High resolution- transmission electron microscope (HR-TEM), Scanning transmission electron microscopes - energy dispersive X-ray spectrometer (STEM-EDS), and electrochemical performance test. The role of STN matrix is to accommodate the volume expansion stresses of the dispersed Si nanoparticles. However, an interesting behavior was observed during cycling. The Si nanoparticles were observed tomore » form interconnection channels growing through the weak STN matrix cracks and evolving to a network isolating the STN matrix into small puddles. In conclusion, this unique nanostructural evolution of Si particles and isolation of the STN matrix failing to offer significant buffering effect to the grown Si network eventually accelerates more volume expansions during cycling due to less mechanical confinement and leads to performance degradation and poor cycle stability.« less

Gradient-based stochastic estimation of the density matrix

NASA Astrophysics Data System (ADS)

Wang, Zhentao; Chern, Gia-Wei; Batista, Cristian D.; Barros, Kipton

2018-03-01

Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements f(H)ij decay rapidly with distance rij between orbitals. This decay is usually exponential. However, for the special case of metals at zero temperature, algebraic decay of the density matrix appears and poses a significant numerical challenge. We introduce a gradient-based probing method to estimate all local density matrix elements at a computational cost that scales linearly with system size. For zero-temperature metals, the stochastic error scales like S-(d+2)/2d, where d is the dimension and S is a prefactor to the computational cost. The convergence becomes exponential if the system is at finite temperature or is insulating.

Association of statin prescription with small abdominal aortic aneurysm progression

PubMed Central

Ferguson, Craig D.; Clancy, Paula; Bourke, Bernard; Walker, Philip J.; Dear, Anthony; Buckenham, Tim; Norman, Paul; Golledge, Jonathan

2009-01-01

Background Statins have been suggested to reduce expansion of abdominal aortic aneurysms (AAA) independent of lipid lowering effects. Methods We assessed the association of statin treatment and serum low density lipoprotein (LDL) concentrations with small AAA expansion. 652 patients undergoing surveillance of small AAAs were entered into the study from five vascular centers. In a subset fasting lipids (n=451) and other biomarkers (n=216) were measured. AAA diameter was followed by ultrasound surveillance for a median of 5 years. Results 349 (54%) of the patients were prescribed statins. Adjusting for other risk factors statin prescription was not associated with AAA growth (odds ratio, OR, 1.23, 95% confidence interval, CI, 0.86–1.76). Above median AAA growth was positively associated with initial diameter (OR 1.78 per 4.35mm larger initial aortic diameter, 95% CI 1.49–2.14) and negatively associated with diabetes (OR 0.37, 95% CI 0.22–0.62). Above median serum LDL concentration was not associated with AAA growth. Patients receiving statins had lower serum C-reactive protein concentrations but similar matrix metalloproteinase-9 and interleukin-6 concentrations to those not prescribed these medications. Conclusions We found no association between statin prescription or LDL concentration with AAA expansion. The results do not support the findings of smaller studies and suggest that statins may have no benefit in reducing AAA progression. PMID:20152231

Effect of space exposure of some epoxy matrix composites on their thermal expansion and mechanical properties (A0138-8)

NASA Technical Reports Server (NTRS)

Jabs, Heinrich

1992-01-01

Assessments of the behavior of the carbon/epoxy composites in space conditions are described. After an exposure of five years, the mechanical characteristics and the coefficient of thermal expansion are measured and compared to reference values.

Exact and approximate aspects of the boson expansion theories

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

Tamura, T.; Weeks, K.J.; Pedrocchi, V.G.

1981-03-01

It is shown that a boson expansion theory of the Kishimoto-Tamura type not only maps the operators exactly but also the space, and, consequently, the matrix elements of the fermion system onto those of the bosons. Significance of approximations made in calculations is also discussed.

Precision Composite Space Structures

DTIC Science & Technology

2007-10-15

large structures. 15. SUBJECT TERMS Composite materials, dimensional stability, microcracking, thermal expansion , space structures, degradation...Figure 32. Variation of normalized coefficients of thermal expansion α11(n), α22(n), and α33(n) with normalized crack density of an AS4/3501-6...coefficients of thermal expansion α11(n), α22(n), and α33(n) with normalized crack density of an AS4/3501-6 composite lamina with a fiber volume

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations

NASA Astrophysics Data System (ADS)

Magnuson, Martin; Mattesini, Maurizio; Bugnet, Matthieu; Eklund, Per

2015-10-01

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L 2, 3, C K, and Ge M 1, M 2, 3 emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations.

PubMed

Magnuson, Martin; Mattesini, Maurizio; Bugnet, Matthieu; Eklund, Per

2015-10-21

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L(2, 3), C K, and Ge M1, M(2, 3) emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

Fibroblasts and the extracellular matrix in right ventricular disease.

PubMed

Frangogiannis, Nikolaos G

2017-10-01

Right ventricular failure predicts adverse outcome in patients with pulmonary hypertension (PH), and in subjects with left ventricular heart failure and is associated with interstitial fibrosis. This review manuscript discusses the cellular effectors and molecular mechanisms implicated in right ventricular fibrosis. The right ventricular interstitium contains vascular cells, fibroblasts, and immune cells, enmeshed in a collagen-based matrix. Right ventricular pressure overload in PH is associated with the expansion of the fibroblast population, myofibroblast activation, and secretion of extracellular matrix proteins. Mechanosensitive transduction of adrenergic signalling and stimulation of the renin-angiotensin-aldosterone cascade trigger the activation of right ventricular fibroblasts. Inflammatory cytokines and chemokines may contribute to expansion and activation of macrophages that may serve as a source of fibrogenic growth factors, such as transforming growth factor (TGF)-β. Endothelin-1, TGF-βs, and matricellular proteins co-operate to activate cardiac myofibroblasts, and promote synthesis of matrix proteins. In comparison with the left ventricle, the RV tolerates well volume overload and ischemia; whether the right ventricular interstitial cells and matrix are implicated in these favourable responses remains unknown. Expansion of fibroblasts and extracellular matrix protein deposition are prominent features of arrhythmogenic right ventricular cardiomyopathies and may be implicated in the pathogenesis of arrhythmic events. Prevailing conceptual paradigms on right ventricular remodelling are based on extrapolation of findings in models of left ventricular injury. Considering the unique embryologic, morphological, and physiologic properties of the RV and the clinical significance of right ventricular failure, there is a need further to dissect RV-specific mechanisms of fibrosis and interstitial remodelling. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2017. For permissions, please email: journals.permissions@oup.com.

Mechanical Characterization and Micromechanical Modeling of Woven Carbon/Copper Composites

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Pindera, Marek-Jerzy; Ellis, David L.; Miner, Robert V.

1997-01-01

The present investigation examines the in-plane mechanical behavior of a particular woven metal matrix composite (MMC); 8-harness (8H) satin carbon/copper (C/Cu). This is accomplished via mechanical testing as well as micromechanical modeling. While the literature is replete with experimental and modeling efforts for woven and braided polymer matrix composites, little work has been done on woven and braided MMC's. Thus, the development and understanding of woven MMC's is at an early stage. 8H satin C/Cu owes its existence to the high thermal conductivity of copper and low density and thermal expansion of carbon fibers. It is a candidate material for high heat flux applications, such as space power radiator panels. The experimental portion of this investigation consists of monotonic and cyclic tension, compression, and Iosipescu shear tests, as well as combined tension-compression tests. Tests were performed on composite specimens with three copper matrix alloy types: pure Cu, Cu-0.5 weight percent Ti (Cu-Ti), and Cu-0.7 weight percent Cr (Cu-Cr). The small alloying additions are present to promote fiber/matrix interfacial bonding. The analytical modeling effort utilizes an approach in which a local micromechanical model is embedded in a global micromechanical model. This approach differs from previously developed analytical models for woven composites in that a true repeating unit cell is analyzed. However, unlike finite element modeling of woven composites, the geometry is sufficiently idealized to allow efficient geometric discretization and efficient execution.

Quark mixing and exponential form of the Cabibbo-Kobayashi-Maskawa matrix

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

Zhukovsky, K. V., E-mail: zhukovsk@phys.msu.ru; Dattoli, D., E-mail: dattoli@frascati.enea.i

2008-10-15

Various forms of representation of the mixing matrix are discussed. An exponential parametrization e{sup A} of the Cabibbo-Kobayashi-Maskawa matrix is considered in the context of the unitarity requirement, this parametrization being the most general form of the mixing matrix. An explicit representation for the exponential mixing matrix in terms of the first and second degrees of the matrix A exclusively is obtained. This representation makes it possible to calculate this exponential mixing matrix readily in any order of the expansion in the small parameter {lambda}. The generation of new unitary parametric representations of the mixing matrix with the aid ofmore » the exponential matrix is demonstrated.« less

Surface Snow Density of East Antarctica Derived from In-Situ Observations

NASA Astrophysics Data System (ADS)

Tian, Y.; Zhang, S.; Du, W.; Chen, J.; Xie, H.; Tong, X.; Li, R.

2018-04-01

Models based on physical principles or semi-empirical parameterizations have used to compute the firn density, which is essential for the study of surface processes in the Antarctic ice sheet. However, parameterization of surface snow density is often challenged by the description of detailed local characterization. In this study we propose to generate a surface density map for East Antarctica from all the filed observations that are available. Considering that the observations are non-uniformly distributed around East Antarctica, obtained by different methods, and temporally inhomogeneous, the field observations are used to establish an initial density map with a grid size of 30 × 30 km2 in which the observations are averaged at a temporal scale of five years. We then construct an observation matrix with its columns as the map grids and rows as the temporal scale. If a site has an unknown density value for a period, we will set it to 0 in the matrix. In order to construct the main spatial and temple information of surface snow density matrix we adopt Empirical Orthogonal Function (EOF) method to decompose the observation matrix and only take first several lower-order modes, because these modes already contain most information of the observation matrix. However, there are a lot of zeros in the matrix and we solve it by using matrix completion algorithm, and then we derive the time series of surface snow density at each observation site. Finally, we can obtain the surface snow density by multiplying the modes interpolated by kriging with the corresponding amplitude of the modes. Comparative analysis have done between our surface snow density map and model results. The above details will be introduced in the paper.

Fiber Contraction Approaches for Improving CMC Proportional Limit

NASA Technical Reports Server (NTRS)

DiCarlo, James A.; Yun, Hee Mann

1997-01-01

The fact that the service life of ceramic matrix composites (CMC) decreases dramatically for stresses above the CMC proportional limit has triggered a variety of research activities to develop microstructural approaches that can significantly improve this limit. As discussed in a previous report, both local and global approaches exist for hindering the propagation of cracks through the CMC matrix, the physical source for the proportional limit. Local approaches include: (1) minimizing fiber diameter and matrix modulus; (2) maximizing fiber volume fraction, fiber modulus, and matrix toughness; and (3) optimizing fiber-matrix interfacial shear strength; all of which should reduce the stress concentration at the tip of cracks pre existing or created in the matrix during CMC service. Global approaches, as with pre-stressed concrete, center on seeking mechanisms for utilizing the reinforcing fiber to subject the matrix to in-situ compressive stresses which will remain stable during CMC service. Demonstrated CMC examples for the viability of this residual stress approach are based on strain mismatches between the fiber and matrix in their free states, such as, thermal expansion mismatch and creep mismatch. However, these particular mismatch approaches are application limited in that the residual stresses from expansion mismatch are optimum only at low CMC service temperatures and the residual stresses from creep mismatch are typically unidirectional and difficult to implement in complex-shaped CMC.

Dependences of contraction/expansion of stacking faults on temperature and current density in 4H-SiC p–i–n diodes

NASA Astrophysics Data System (ADS)

Okada, Aoi; Nishio, Johji; Iijima, Ryosuke; Ota, Chiharu; Goryu, Akihiro; Miyazato, Masaki; Ryo, Mina; Shinohe, Takashi; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Okumura, Hajime

2018-06-01

To investigate the mechanism of contraction/expansion behavior of Shockley stacking faults (SSFs) in 4H-SiC p–i–n diodes, the dependences of the SSF behavior on temperature and injection current density were investigated by electroluminescence image observation. We investigated the dependences of both triangle- and bar-shaped SSFs on the injection current density at four temperature levels. All SSFs in this study show similar temperature and injection current density dependences. We found that the expansion of SSFs at a high current density was converted to contraction at a certain value as the current decreased and that the value is temperature-dependent. It has been confirmed that SSF behavior, which was considered complex or peculiar, might be explained mainly by the energy change caused by SSFs.

Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials.

PubMed

Yunoki, Shunji; Sugiura, Hiroaki; Ikoma, Toshiyuki; Kondo, Eiji; Yasuda, Kazunori; Tanaka, Junzo

2011-02-01

The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm⁻³ and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 ± 0.48 and 0.651 ± 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

Iterative approach as alternative to S-matrix in modal methods

NASA Astrophysics Data System (ADS)

Semenikhin, Igor; Zanuccoli, Mauro

2014-12-01

The continuously increasing complexity of opto-electronic devices and the rising demands of simulation accuracy lead to the need of solving very large systems of linear equations making iterative methods promising and attractive from the computational point of view with respect to direct methods. In particular, iterative approach potentially enables the reduction of required computational time to solve Maxwell's equations by Eigenmode Expansion algorithms. Regardless of the particular eigenmodes finding method used, the expansion coefficients are computed as a rule by scattering matrix (S-matrix) approach or similar techniques requiring order of M3 operations. In this work we consider alternatives to the S-matrix technique which are based on pure iterative or mixed direct-iterative approaches. The possibility to diminish the impact of M3 -order calculations to overall time and in some cases even to reduce the number of arithmetic operations to M2 by applying iterative techniques are discussed. Numerical results are illustrated to discuss validity and potentiality of the proposed approaches.

Direct Measurement of the Density Matrix of a Quantum System

NASA Astrophysics Data System (ADS)

Thekkadath, G. S.; Giner, L.; Chalich, Y.; Horton, M. J.; Banker, J.; Lundeen, J. S.

2016-09-01

One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements since it requires a global reconstruction. Here, we experimentally demonstrate a scheme that can be used to directly measure individual density matrix elements of general quantum states. The scheme relies on measuring a sequence of three observables, each complementary to the last. The first two measurements are made weak to minimize the disturbance they cause to the state, while the final measurement is strong. We perform this joint measurement on polarized photons in pure and mixed states to directly measure their density matrix. The weak measurements are achieved using two walk-off crystals, each inducing a polarization-dependent spatial shift that couples the spatial and polarization degrees of freedom of the photons. This direct measurement method provides an operational meaning to the density matrix and promises to be especially useful for large dimensional states.

Direct Measurement of the Density Matrix of a Quantum System.

PubMed

Thekkadath, G S; Giner, L; Chalich, Y; Horton, M J; Banker, J; Lundeen, J S

2016-09-16

One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements since it requires a global reconstruction. Here, we experimentally demonstrate a scheme that can be used to directly measure individual density matrix elements of general quantum states. The scheme relies on measuring a sequence of three observables, each complementary to the last. The first two measurements are made weak to minimize the disturbance they cause to the state, while the final measurement is strong. We perform this joint measurement on polarized photons in pure and mixed states to directly measure their density matrix. The weak measurements are achieved using two walk-off crystals, each inducing a polarization-dependent spatial shift that couples the spatial and polarization degrees of freedom of the photons. This direct measurement method provides an operational meaning to the density matrix and promises to be especially useful for large dimensional states.

Effect of dimethyl sulfoxide on dentin collagen.

PubMed

Mehtälä, P; Pashley, D H; Tjäderhane, L

2017-08-01

Infiltration of adhesive on dentin matrix depends on interaction of surface and adhesive. Interaction depends on dentin wettability, which can be enhanced either by increasing dentin surface energy or lowering the surface energy of adhesive. The objective was to examine the effect of dimethyl sulfoxide (DMSO) on demineralized dentin wettability and dentin organic matrix expansion. Acid-etched human dentin was used for sessile drop contact angle measurement to test surface wetting on 1-5% DMSO-treated demineralized dentin surface, and linear variable differential transformer (LVDT) to measure expansion/shrinkage of dentinal matrix. DMSO-water binary liquids were examined for surface tension changes through concentrations from 0 to 100% DMSO. Kruskal-Wallis and Mann-Whitney tests were used to test the differences in dentin wettability, expansion and shrinkage, and Spearman test to test the correlation between DMSO concentration and water surface tension. The level of significance was p<0.05. Pretreatment with 1-5% DMSO caused statistically significant concentration-dependent increase in wetting: the immediate contact angles decreased by 11.8% and 46.6% and 60s contact angles by 9.5% and 47.4% with 1% and 5% DMSO, respectively. DMSO-water mixtures concentration-dependently expanded demineralized dentin samples less than pure water, except with high (≥80%) DMSO concentrations which expanded demineralized dentin more than water. Drying times of LVDT samples increased significantly with the use of DMSO. Increased dentin wettability may explain the previously demonstrated increase in adhesive penetration with DMSO-treated dentin, and together with the expansion of collagen matrix after drying may also explain previously observed increase in dentin adhesive bonding. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Collective modes of a two-dimensional Fermi gas at finite temperature

NASA Astrophysics Data System (ADS)

Mulkerin, Brendan C.; Liu, Xia-Ji; Hu, Hui

2018-05-01

We examine the breathing mode of a strongly interacting two-dimensional Fermi gas and the role of temperature on the anomalous breaking of scale invariance. By calculating the equation of state with different many-body T -matrix theories and the virial expansion, we obtain a hydrodynamic equation of the harmonically trapped Fermi gas (with trapping frequency ω0) through the local density approximation. By solving the hydrodynamic equations, we determine the breathing mode frequencies as a function of interaction strength and temperature. We find that the breathing mode anomaly depends sensitively on both interaction strength and temperature. In particular, in the strongly interacting regime, we predict a significant downshift of the breathing mode frequency, below the scale invariant value of 2 ω0 , for temperatures of the order of the Fermi temperature.

Energy density functional on a microscopic basis

NASA Astrophysics Data System (ADS)

Baldo, M.; Robledo, L.; Schuck, P.; Viñas, X.

2010-06-01

In recent years impressive progress has been made in the development of highly accurate energy density functionals, which allow us to treat medium-heavy nuclei. In this approach one tries to describe not only the ground state but also the first relevant excited states. In general, higher accuracy requires a larger set of parameters, which must be carefully chosen to avoid redundancy. Following this line of development, it is unavoidable that the connection of the functional with the bare nucleon-nucleon interaction becomes more and more elusive. In principle, the construction of a density functional from a density matrix expansion based on the effective nucleon-nucleon interaction is possible, and indeed the approach has been followed by few authors. However, to what extent a density functional based on such a microscopic approach can reach the accuracy of the fully phenomenological ones remains an open question. A related question is to establish which part of a functional can be actually derived by a microscopic approach and which part, in contrast, must be left as purely phenomenological. In this paper we discuss the main problems that are encountered when the microscopic approach is followed. To this purpose we will use the method we have recently introduced to illustrate the different aspects of these problems. In particular we will discuss the possible connection of the density functional with the nuclear matter equation of state and the distinct features of finite-size effect typical of nuclei.

A real-space stochastic density matrix approach for density functional electronic structure.

PubMed

Beck, Thomas L

2015-12-21

The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species

PubMed Central

Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

2016-01-01

The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011–12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales. PMID:28005942

Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species.

PubMed

Kajzer-Bonk, Joanna; Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

2016-01-01

The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011-12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales.

Densities of Pb-Sn alloys during solidification

NASA Technical Reports Server (NTRS)

Poirier, D. R.

1988-01-01

Data for the densities and expansion coefficients of solid and liquid alloys of the Pb-Sn system are consolidated in this paper. More importantly, the data are analyzed with the purpose of expressing either the density of the solid or of the liquid as a function of its composition and temperature. In particular, the densities of the solid and of the liquid during dendritic solidification are derived. Finally, the solutal and thermal coefficients of volume expansion for the liquid are given as functions of temperature and composition.

Water in the presence of inert Lennard-Jones obstacles

NASA Astrophysics Data System (ADS)

Kurtjak, Mario; Urbic, Tomaz

2014-04-01

Water confined by the presence of a 'sea' of inert obstacles was examined. In the article, freely mobile two-dimensional Mercedes-Benz (MB) water put to a disordered, but fixed, matrix of Lennard-Jones disks was studied by the Monte Carlo computer simulations. For the MB water molecules in the matrix of Lennard-Jones disks, we explored the structures, hydrogen-bond-network formation and thermodynamics as a function of temperature and size and density of matrix particles. We found that the structure of model water is perturbed by the presence of the obstacles. Density of confined water, which was in equilibrium with the bulk water, was smaller than the density of the bulk water and the temperature dependence of the density of absorbed water did not show the density anomaly in the studied temperature range. The behaviour observed as a consequence of confinement is similar to that of increasing temperature, which can for a matrix lead to a process similar to capillary evaporation. At the same occupancy of space, smaller matrix molecules cause higher destruction effect on the absorbed water molecules than the bigger ones. We have also tested the hypothesis that at low matrix densities the obstacles induce an increased ordering and 'hydrogen bonding' of the MB model molecules, relative to pure fluid, while at high densities the obstacles reduce MB water structuring, as they prevent the fluid to form good 'hydrogen-bonding' networks. However, for the size of matrix molecules similar to that of water, we did not observe this effect.

Reconstructing the metric of the local Universe from number counts observations

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

Vallejo, Sergio Andres; Romano, Antonio Enea, E-mail: antonio.enea.romano@cern.ch

Number counts observations available with new surveys such as the Euclid mission will be an important source of information about the metric of the Universe. We compute the low red-shift expansion for the energy density and the density contrast using an exact spherically symmetric solution in presence of a cosmological constant. At low red-shift the expansion is more precise than linear perturbation theory prediction. We then use the local expansion to reconstruct the metric from the monopole of the density contrast. We test the inversion method using numerical calculations and find a good agreement within the regime of validity ofmore » the red-shift expansion. The method could be applied to observational data to reconstruct the metric of the local Universe with a level of precision higher than the one achievable using perturbation theory.« less

Scaled-down particle-in-cell simulation of cathode plasma expansion in magnetically insulated coaxial diode

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

Zhu, Danni; Zhang, Jun, E-mail: zhangjun@nudt.edu.cn; Zhong, Huihuang

2016-03-15

The expansion of cathode plasma in magnetically insulated coaxial diode (MICD) is investigated in theory and particle-in-cell (PIC) simulation. The temperature and density of the cathode plasma are about several eV and 10{sup 13}–10{sup 16 }cm{sup −3}, respectively, and its expansion velocity is of the level of few cm/μs. Through hydrodynamic theory analysis, expressions of expansion velocities in axial and radial directions are obtained. The characteristics of cathode plasma expansion have been simulated through scaled-down PIC models. Simulation results indicate that the expansion velocity is dominated by the ratio of plasma density other than the static electric field. The electric fieldmore » counteracts the plasma expansion reverse of it. The axial guiding magnetic field only reduces the radial transport coefficients by a correction factor, but not the axial ones. Both the outward and inward radial expansions of a MICD are suppressed by the much stronger guiding magnetic field and even cease.« less

Effects of thermal cycling on graphie-fiber-reinforced 6061 aluminum

NASA Technical Reports Server (NTRS)

Dries, G. A.; Tompkins, S. S.

1986-01-01

Graphite-reinforced aluminum alloy metal-matrix composites are among materials being considered for structural components in dimensionally stable space structures. This application requires materials with low values of thermal expansions and high specific stiffnesses. They must remain stable during exposures to the space environment for periods extending to 20 years. The effects of thermal cycling on the thermal expansion behavior and mechanical properties of Thornel P100 graphite 6061 aluminum composites, as fabricated and after thermal processing to eliminate thermal strain hysteresis, have been investigated. Two groups of composites were studied: one was fabricated by hot roll bonding and the other by diffusion bonding. Processing significantly reduced strain hysteresis during thermal cycling in both groups and improved the ultimate tensile strength and modulus in the diffusion-bonded composites. Thermal cycling stabilized the as-fabricated composites by reducing the residual fabrication stress and increased the matrix strength by metallurgical aging. Thermal expansion behavior of both groups after processing was insensitive to thermal cycling. Data scatter was too large to determine effects of thermal cycling on the mechanical properties. The primary effects of processing and thermal cycling can be attributed to changes in the metallurgical condition and stress state of the matrix.

Mechanical and thermal properties of MoS2 reinforced epoxy nanocomposites

NASA Astrophysics Data System (ADS)

Madeshwaran, S. R.; Jayaganthan, R.; Velmurugan, R.; Gupta, N. K.; Manzhirov, A. V.

2018-04-01

The effects of molybdenum disulfide (MoS2) on thermal expansion and mechanical properties of epoxy composites were investigated. MoS2 nanosheets were exfoliated by ultra-sonication and reinforced into epoxy as nanofiller by mechanical stirring. Transmission electron microscopy observations demonstrated that MoS2 exhibited better dispersion in epoxy matrix. Thermal expansion measured by dilatometer has revealed that increasing MoS2 fractioninepoxy matrix significantly reduced the coefficient of thermal expansion (CTE). The 0.5wt% MoS2 incorporated epoxy composites shows 35.8% reduction in CTE as compared to neat epoxy. The addition of small fraction of MoS2(0.1wt%) in the composites increased the tensile and flexural strength 39.2% and 9.0% respectively. The glass transition temperature (Tg ) of 0.1wt% MoS2 incorporated epoxy composites shows 7.39% increase in Tg .

Geometric multiaxial representation of N -qubit mixed symmetric separable states

NASA Astrophysics Data System (ADS)

SP, Suma; Sirsi, Swarnamala; Hegde, Subramanya; Bharath, Karthik

2017-08-01

The study of N -qubit mixed symmetric separable states is a longstanding challenging problem as no unique separability criterion exists. In this regard, we take up the N -qubit mixed symmetric separable states for a detailed study as these states are of experimental importance and offer an elegant mathematical analysis since the dimension of the Hilbert space is reduced from 2N to N +1 . Since there exists a one-to-one correspondence between the spin-j system and an N -qubit symmetric state, we employ Fano statistical tensor parameters for the parametrization of the spin-density matrix. Further, we use a geometric multiaxial representation (MAR) of the density matrix to characterize the mixed symmetric separable states. Since the separability problem is NP-hard, we choose to study it in the continuum limit where mixed symmetric separable states are characterized by the P -distribution function λ (θ ,ϕ ) . We show that the N -qubit mixed symmetric separable states can be visualized as a uniaxial system if the distribution function is independent of θ and ϕ . We further choose a distribution function to be the most general positive function on a sphere and observe that the statistical tensor parameters characterizing the N -qubit symmetric system are the expansion coefficients of the distribution function. As an example for the discrete case, we investigate the MAR of a uniformly weighted two-qubit mixed symmetric separable state. We also observe that there exists a correspondence between the separability and classicality of states.

Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets

NASA Astrophysics Data System (ADS)

Zhang, Xing; Carter, Emily A.

2018-01-01

We revisit the static response function-based Kohn-Sham (KS) inversion procedure for determining the KS effective potential that corresponds to a given target electron density within finite atomic orbital basis sets. Instead of expanding the potential in an auxiliary basis set, we directly update the potential in its matrix representation. Through numerical examples, we show that the reconstructed density rapidly converges to the target density. Preliminary results are presented to illustrate the possibility of obtaining a local potential in real space from the optimized potential in its matrix representation. We have further applied this matrix-based KS inversion approach to density functional embedding theory. A proof-of-concept study of a solvated proton transfer reaction demonstrates the method's promise.

Separable Ernst-Shakin-Thaler expansions of local potentials

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

Bund, G.W.

The boundary condition Ernst-Shakin-Thaler method, introduced previously to generate separable expansions of local potentials of finite range, is applied to the study of the triplet s-wave Malfliet-Tjon potential. The effect of varying the radius where the boundary condition is applied on the T matrix is analyzed. Further, we compare the convergence of the n-d scattering cross sections in the quartet state below the breakup threshold for expansions corresponding to two different boundaries.

Effect of Interfacial Bonding on Interphase Properties in SiO2/Epoxy Nanocomposite: A Molecular Dynamics Simulation Study.

PubMed

Wang, Zhikun; Lv, Qiang; Chen, Shenghui; Li, Chunling; Sun, Shuangqing; Hu, Songqing

2016-03-23

Atomistic molecular dynamics simulations have been performed to explore the effect of interfacial bonding on the interphase properties of a nanocomposite system that consists of a silica nanoparticle and the highly cross-linked epoxy matrix. For the structural properties, results show that interfacial covalent bonding can broaden the interphase region by increasing the radial effect range of fluctuated mass density and oriented chains, as well as strengthen the interphase region by improving the thermal stability of interfacial van der Waals excluded volume and reducing the proportion of cis conformers of epoxy segments. The improved thermal stability of the interphase region in the covalently bonded model results in an increase of ∼21 K in the glass transition temperature (Tg) compared to that of the pure epoxy. It is also found that interfacial covalent bonding mainly restricts the volume thermal expansion of the model at temperatures near or larger than Tg. Furthermore, investigations from mean-square displacement and fraction of immobile atoms point out that interfacial covalent and noncovalent bonding induces lower and higher mobility of interphase atoms than that of the pure epoxy, respectively. The obtained critical interfacial bonding ratio when the interphase and matrix atoms have the same mobility is 5.8%. These results demonstrate that the glass transitions of the interphase and matrix will be asynchronous when the interfacial bonding ratio is not 5.8%. Specifically, the interphase region will trigger the glass transition of the matrix when the ratio is larger than 5.8%, whereas it restrains the glass transition of the matrix when the ratio is smaller than 5.8%.

On Connected Diagrams and Cumulants of Erdős-Rényi Matrix Models

NASA Astrophysics Data System (ADS)

Khorunzhiy, O.

2008-08-01

Regarding the adjacency matrices of n-vertex graphs and related graph Laplacian we introduce two families of discrete matrix models constructed both with the help of the Erdős-Rényi ensemble of random graphs. Corresponding matrix sums represent the characteristic functions of the average number of walks and closed walks over the random graph. These sums can be considered as discrete analogues of the matrix integrals of random matrix theory. We study the diagram structure of the cumulant expansions of logarithms of these matrix sums and analyze the limiting expressions as n → ∞ in the cases of constant and vanishing edge probabilities.

Isotropic matrix elements of the collision integral for the Boltzmann equation

NASA Astrophysics Data System (ADS)

Ender, I. A.; Bakaleinikov, L. A.; Flegontova, E. Yu.; Gerasimenko, A. B.

2017-09-01

We have proposed an algorithm for constructing matrix elements of the collision integral for the nonlinear Boltzmann equation isotropic in velocities. These matrix elements have been used to start the recurrent procedure for calculating matrix elements of the velocity-nonisotropic collision integral described in our previous publication. In addition, isotropic matrix elements are of independent interest for calculating isotropic relaxation in a number of physical kinetics problems. It has been shown that the coefficients of expansion of isotropic matrix elements in Ω integrals are connected by the recurrent relations that make it possible to construct the procedure of their sequential determination.

On Schrödinger's bridge problem

NASA Astrophysics Data System (ADS)

Friedland, S.

2017-11-01

In the first part of this paper we generalize Georgiou-Pavon's result that a positive square matrix can be scaled uniquely to a column stochastic matrix which maps a given positive probability vector to another given positive probability vector. In the second part we prove that a positive quantum channel can be scaled to another positive quantum channel which maps a given positive definite density matrix to another given positive definite density matrix using Brouwer's fixed point theorem. This result proves the Georgiou-Pavon conjecture for two positive definite density matrices, made in their recent paper. We show that the fixed points are unique for certain pairs of positive definite density matrices. Bibliography: 15 titles.

Excitation energies from range-separated time-dependent density and density matrix functional theory.

PubMed

Pernal, Katarzyna

2012-05-14

Time-dependent density functional theory (TD-DFT) in the adiabatic formulation exhibits known failures when applied to predicting excitation energies. One of them is the lack of the doubly excited configurations. On the other hand, the time-dependent theory based on a one-electron reduced density matrix functional (time-dependent density matrix functional theory, TD-DMFT) has proven accurate in determining single and double excitations of H(2) molecule if the exact functional is employed in the adiabatic approximation. We propose a new approach for computing excited state energies that relies on functionals of electron density and one-electron reduced density matrix, where the latter is applied in the long-range region of electron-electron interactions. A similar approach has been recently successfully employed in predicting ground state potential energy curves of diatomic molecules even in the dissociation limit, where static correlation effects are dominating. In the paper, a time-dependent functional theory based on the range-separation of electronic interaction operator is rigorously formulated. To turn the approach into a practical scheme the adiabatic approximation is proposed for the short- and long-range components of the coupling matrix present in the linear response equations. In the end, the problem of finding excitation energies is turned into an eigenproblem for a symmetric matrix. Assignment of obtained excitations is discussed and it is shown how to identify double excitations from the analysis of approximate transition density matrix elements. The proposed method used with the short-range local density approximation (srLDA) and the long-range Buijse-Baerends density matrix functional (lrBB) is applied to H(2) molecule (at equilibrium geometry and in the dissociation limit) and to Be atom. The method accounts for double excitations in the investigated systems but, unfortunately, the accuracy of some of them is poor. The quality of the other excitations is in general much better than that offered by TD-DFT-LDA or TD-DMFT-BB approximations if the range-separation parameter is properly chosen. The latter remains an open problem.

The hollow fiber bioreactor as a stroma-supported, serum-free ex vivo expansion platform for human umbilical cord blood cells.

PubMed

Xue, Cao; Kwek, Kenneth Y C; Chan, Jerry K Y; Chen, Qingfeng; Lim, Mayasari

2014-07-01

The bone marrow microenvironment plays an integral role in the regulation of hematopoiesis. Residing stromal cells and the extracellular matrix in the bone marrow microenvironment provide biological signals that control hematopoietic stem cell (HSC) function. In this study, we developed a bio-mimetic co-culture platform using the hollow fiber bioreactor (HFBR) for ex vivo expansion of HSCs. We evaluated the efficacy of such a platform in comparison to standard cultures performed on tissue culture polystyrene (TCP), using a human stromal cell line (HS-5) as stromal support, co-cultured with lineage-depleted human cord blood cells in serum-free medium supplemented with a cytokine cocktail. Our results showed that the performance of the HFBR in supporting total cell and CD34(+) progenitor cell expansion was comparable to that of cultures on TCP. Cells harvested from the HFBR had a higher clonogenic ability. The performance of ex vivo-expanded cells from the HFBR in hematopoietic reconstitution in humanized mice was comparable to that of the TCP control. Scanning electron microscopy revealed that stroma cell growth inside the HFBR created a three-dimensional cell matrix architecture. These findings demonstrate the feasibility of utilizing the HFBR for creating a complex cell matrix architecture, which may provide good in vitro mimicry of the bone marrow, supporting large-scale expansion of HSCs. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Estimation of beam material random field properties via sensitivity-based model updating using experimental frequency response functions

NASA Astrophysics Data System (ADS)

Machado, M. R.; Adhikari, S.; Dos Santos, J. M. C.; Arruda, J. R. F.

2018-03-01

Structural parameter estimation is affected not only by measurement noise but also by unknown uncertainties which are present in the system. Deterministic structural model updating methods minimise the difference between experimentally measured data and computational prediction. Sensitivity-based methods are very efficient in solving structural model updating problems. Material and geometrical parameters of the structure such as Poisson's ratio, Young's modulus, mass density, modal damping, etc. are usually considered deterministic and homogeneous. In this paper, the distributed and non-homogeneous characteristics of these parameters are considered in the model updating. The parameters are taken as spatially correlated random fields and are expanded in a spectral Karhunen-Loève (KL) decomposition. Using the KL expansion, the spectral dynamic stiffness matrix of the beam is expanded as a series in terms of discretized parameters, which can be estimated using sensitivity-based model updating techniques. Numerical and experimental tests involving a beam with distributed bending rigidity and mass density are used to verify the proposed method. This extension of standard model updating procedures can enhance the dynamic description of structural dynamic models.

An updated Lagrangian discontinuous Galerkin hydrodynamic method for gas dynamics

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

Wu, Tong; Shashkov, Mikhail Jurievich; Morgan, Nathaniel Ray

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for gas dynamics. The new method evolves conserved unknowns in the current configuration, which obviates the Jacobi matrix that maps the element in a reference coordinate system or the initial coordinate system to the current configuration. The density, momentum, and total energy (ρ, ρu, E) are approximated with conservative higher-order Taylor expansions over the element and are limited toward a piecewise constant field near discontinuities using a limiter. Two new limiting methods are presented for enforcing the bounds on the primitive variables of density, velocity, and specific internal energymore » (ρ, u, e). The nodal velocity, and the corresponding forces, are calculated by solving an approximate Riemann problem at the element nodes. An explicit second-order method is used to temporally advance the solution. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. 1D Cartesian coordinates test problem results are presented to demonstrate the accuracy and convergence order of the new DG method with the new limiters.« less

Construction of CASCI-type wave functions for very large active spaces.

PubMed

Boguslawski, Katharina; Marti, Konrad H; Reiher, Markus

2011-06-14

We present a procedure to construct a configuration-interaction expansion containing arbitrary excitations from an underlying full-configuration-interaction-type wave function defined for a very large active space. Our procedure is based on the density-matrix renormalization group (DMRG) algorithm that provides the necessary information in terms of the eigenstates of the reduced density matrices to calculate the coefficient of any basis state in the many-particle Hilbert space. Since the dimension of the Hilbert space scales binomially with the size of the active space, a sophisticated Monte Carlo sampling routine is employed. This sampling algorithm can also construct such configuration-interaction-type wave functions from any other type of tensor network states. The configuration-interaction information obtained serves several purposes. It yields a qualitatively correct description of the molecule's electronic structure, it allows us to analyze DMRG wave functions converged for the same molecular system but with different parameter sets (e.g., different numbers of active-system (block) states), and it can be considered a balanced reference for the application of a subsequent standard multi-reference configuration-interaction method.

An updated Lagrangian discontinuous Galerkin hydrodynamic method for gas dynamics

DOE PAGES

Wu, Tong; Shashkov, Mikhail Jurievich; Morgan, Nathaniel Ray; ...

2018-04-09

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for gas dynamics. The new method evolves conserved unknowns in the current configuration, which obviates the Jacobi matrix that maps the element in a reference coordinate system or the initial coordinate system to the current configuration. The density, momentum, and total energy (ρ, ρu, E) are approximated with conservative higher-order Taylor expansions over the element and are limited toward a piecewise constant field near discontinuities using a limiter. Two new limiting methods are presented for enforcing the bounds on the primitive variables of density, velocity, and specific internal energymore » (ρ, u, e). The nodal velocity, and the corresponding forces, are calculated by solving an approximate Riemann problem at the element nodes. An explicit second-order method is used to temporally advance the solution. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. 1D Cartesian coordinates test problem results are presented to demonstrate the accuracy and convergence order of the new DG method with the new limiters.« less

On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study.

PubMed

Michael, J Robert; Koritsanszky, Tibor

2017-05-28

The convergence of nucleus-centered multipolar expansion of the quantum-chemical electron density (QC-ED), gradient, and Laplacian is investigated in terms of numerical radial functions derived by projecting stockholder atoms onto real spherical harmonics at each center. The partial sums of this exact one-center expansion are compared with the corresponding Hansen-Coppens pseudoatom (HC-PA) formalism [Hansen, N. K. and Coppens, P., "Testing aspherical atom refinements on small-molecule data sets," Acta Crystallogr., Sect. A 34, 909-921 (1978)] commonly utilized in experimental electron density studies. It is found that the latter model, due to its inadequate radial part, lacks pointwise convergence and fails to reproduce the local topology of the target QC-ED even at a high-order expansion. The significance of the quantitative agreement often found between HC-PA-based (quadrupolar-level) experimental and extended-basis QC-EDs can thus be challenged.

On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study

NASA Astrophysics Data System (ADS)

Michael, J. Robert; Koritsanszky, Tibor

2017-05-01

The convergence of nucleus-centered multipolar expansion of the quantum-chemical electron density (QC-ED), gradient, and Laplacian is investigated in terms of numerical radial functions derived by projecting stockholder atoms onto real spherical harmonics at each center. The partial sums of this exact one-center expansion are compared with the corresponding Hansen-Coppens pseudoatom (HC-PA) formalism [Hansen, N. K. and Coppens, P., "Testing aspherical atom refinements on small-molecule data sets," Acta Crystallogr., Sect. A 34, 909-921 (1978)] commonly utilized in experimental electron density studies. It is found that the latter model, due to its inadequate radial part, lacks pointwise convergence and fails to reproduce the local topology of the target QC-ED even at a high-order expansion. The significance of the quantitative agreement often found between HC-PA-based (quadrupolar-level) experimental and extended-basis QC-EDs can thus be challenged.

The influence of hyaluronic acid hydrogel crosslinking density and macromolecular diffusivity on human MSC chondrogenesis and hypertrophy.

PubMed

Bian, Liming; Hou, Chieh; Tous, Elena; Rai, Reena; Mauck, Robert L; Burdick, Jason A

2013-01-01

Hyaluronic acid (HA) hydrogels formed via photocrosslinking provide stable 3D hydrogel environments that support the chondrogenesis of mesenchymal stem cells (MSCs). Crosslinking density has a significant impact on the physical properties of hydrogels, including their mechanical stiffness and macromolecular diffusivity. Variations in the HA hydrogel crosslinking density can be obtained by either changes in the HA macromer concentration (1, 3, or 5% w/v at 15 min exposure) or the extent of reaction through light exposure time (5% w/v at 5, 10, or 15 min). In this work, increased crosslinking by either method resulted in an overall decrease in cartilage matrix content and more restricted matrix distribution. Increased crosslinking also promoted hypertrophic differentiation of the chondrogenically induced MSCs, resulting in more matrix calcification in vitro. For example, type X collagen expression in the high crosslinking density 5% 15 min group was ~156 and 285% higher when compared to the low crosslinking density 1% 15 min and 5% 5 min groups on day 42, respectively. Supplementation with inhibitors of the small GTPase pathway involved in cytoskeletal tension or myosin II had no effect on hypertrophic differentiation and matrix calcification, indicating that the differential response is unlikely to be related to force-sensing mechanotransduction mechanisms. When implanted subcutaneously in nude mice, higher crosslinking density again resulted in reduced cartilage matrix content, restricted matrix distribution, and increased matrix calcification. This study demonstrates that hydrogel properties mediated through alterations in crosslinking density must be considered in the context of the hypertrophic differentiation of chondrogenically induced MSCs. Copyright © 2012 Elsevier Ltd. All rights reserved.

Evaluation of a Nonlinear Finite Element Program - ABAQUS.

DTIC Science & Technology

1983-03-15

anisotropic properties. * MATEXP - Linearly elastic thermal expansions with isotropic, orthotropic and anisotropic properties. * MATELG - Linearly...elastic materials for general sections (options available for beam and shell elements). • MATEXG - Linearly elastic thermal expansions for general...decomposition of a matrix. * Q-R algorithm • Vector normalization, etc. Obviously, by consolidating all the utility subroutines in a library, ABAQUS has

fNL‑gNL mixing in the matter density field at higher orders

NASA Astrophysics Data System (ADS)

Gressel, Hedda A.; Bruni, Marco

2018-06-01

In this paper we examine how primordial non-Gaussianity contributes to nonlinear perturbative orders in the expansion of the density field at large scales in the matter dominated era. General Relativity is an intrinsically nonlinear theory, establishing a nonlinear relation between the metric and the density field. Representing the metric perturbations with the curvature perturbation ζ, it is known that nonlinearity produces effective non-Gaussian terms in the nonlinear perturbations of the matter density field δ, even if the primordial ζ is Gaussian. Here we generalise these results to the case of a non-Gaussian primordial ζ. Using a standard parametrization of primordial non-Gaussianity in ζ in terms of fNL, gNL, hNL\\ldots , we show how at higher order (from third and higher) nonlinearity also produces a mixing of these contributions to the density field at large scales, e.g. both fNL and gNL contribute to the third order in δ. This is the main result of this paper. Our analysis is based on the synergy between a gradient expansion (aka long-wavelength approximation) and standard perturbation theory at higher order. In essence, mathematically the equations for the gradient expansion are equivalent to those of first order perturbation theory, thus first-order results convert into gradient expansion results and, vice versa, the gradient expansion can be used to derive results in perturbation theory at higher order and large scales.

Monitoring Fiber Stress During Curing of Single Fiber Glass- and Graphite-Epoxy Composites

NASA Technical Reports Server (NTRS)

Madhukar, Madhu S.; Kosuri, Ranga P.; Bowles, Kenneth J.

1994-01-01

The difference in thermal expansion characteristics of epoxy matrices and graphite fibers can produce significant residual stresses in the fibers during curing of composite materials. Tests on single fiber glass-epoxy and graphite-epoxy composite specimens were conducted in which the glass and graphite fibers were preloaded in tension, and the epoxy matrix was cast around the fibers. The fiber tension was monitored while the matrix was placed around the fiber and subjected to the temperature-time curing cycle. Two mechanisms responsible for producing stress in embedded fibers were identified as matrix thermal expansion and contraction and matrix cure shrinkage. A simple analysis based on the change in fiber tension during the curing cycle was conducted to estimate the produced stresses. Experimental results on single fiber glass- and graphite-epoxy composites show that the fiber was subjected to significant tensile stresses when the temperature was raised from the first to the second dwell period. When initial fiber pretension is about 60 percent of the fiber failure load, these curing-induced stresses can cause tensile fracture of the embedded fiber.

Extracellular matrix remodeling and matrix metalloproteinase inhibition in visceral adipose during weight cycling in mice.

PubMed

Caria, Cíntia Rabelo E Paiva; Gotardo, Érica Martins Ferreira; Santos, Paola Souza; Acedo, Simone Coghetto; de Morais, Thainá Rodrigues; Ribeiro, Marcelo Lima; Gambero, Alessandra

2017-10-15

Extracellular matrix (ECM) remodeling is necessary for a health adipose tissue (AT) expansion and also has a role during weight loss. We investigate the ECM alteration during weight cycling (WC) in mice and the role of matrix metalloproteinases (MMPs) was assessed using GM6001, an MMP inhibitor, during weight loss (WL). Obesity was induced in mice by a high-fat diet. Obese mice were subject to caloric restriction for WL followed by reintroduction to high-fat diet for weight regain (WR), resulting in a WC protocol. In addition, mice were treated with GM6001 during WL period and the effects were observed after WR. Activity and expression of MMPs was intense during WL. MMP inhibition during WL results in inflammation and collagen content reduction. MMP inhibition during WL period interferes with the period of subsequent expansion of AT resulting in improvements in local inflammation and systemic metabolic alterations induced by obesity. Our results suggest that MMPs inhibition could be an interesting target to improve adipose tissue inflammation during WL and to support weight cyclers. Copyright © 2017 Elsevier Inc. All rights reserved.

Hydrodynamic description of an unmagnetized plasma with multiple ion species. I. General formulation

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

Simakov, Andrei N., E-mail: simakov@lanl.gov; Molvig, Kim

2016-03-15

A generalization of the Braginskii ion fluid description [S. I. Braginskii, Sov. Phys. - JETP 6, 358 (1958)] to the case of an unmagnetized collisional plasma with multiple ion species is presented. An asymptotic expansion in the ion Knudsen number is used to derive the individual ion species continuity, as well as the total ion mass density, momentum, and energy evolution equations accurate through the second order. Expressions for the individual ion species drift velocities with respect to the center of mass reference frame, as well as for the total ion heat flux and viscosity, which are required to closemore » the fluid equations, are evaluated in terms of the first-order corrections to the lowest order Maxwellian ion velocity distribution functions. A variational formulation for evaluating such corrections and its relation to the plasma entropy are presented. Employing trial functions for the corrections, written in terms of expansions in generalized Laguerre polynomials, and maximizing the resulting functionals produce two systems of linear equations (for “vector” and “tensor” portions of the corrections) for the expansion coefficients. A general matrix formulation of the linear systems as well as expressions for the resulting transport fluxes are presented in forms convenient for numerical implementation. The general formulation is employed in Paper II [A. N. Simakov and K. Molvig, Phys. Plasmas 23, 032116 (2016)] to evaluate the individual ion drift velocities and the total ion heat flux and viscosity for specific cases of two and three ion species plasmas.« less

Matrix Methods for Estimating the Coherence Functions from Estimates of the Cross-Spectral Density Matrix

DOE PAGES

Smallwood, D. O.

1996-01-01

It is shown that the usual method for estimating the coherence functions (ordinary, partial, and multiple) for a general multiple-input! multiple-output problem can be expressed as a modified form of Cholesky decomposition of the cross-spectral density matrix of the input and output records. The results can be equivalently obtained using singular value decomposition (SVD) of the cross-spectral density matrix. Using SVD suggests a new form of fractional coherence. The formulation as a SVD problem also suggests a way to order the inputs when a natural physical order of the inputs is absent.

Plasmon enhanced heterogeneous electron transfer with continuous band energy model

NASA Astrophysics Data System (ADS)

Zhao, Dandan; Niu, Lu; Wang, Luxia

2017-08-01

Photoinduced charge injection from a perylene dye molecule into the conduction band of a TiO2 system decorated by a metal nanoparticles (MNP) is studied theoretically. Utilizing the density matrix theory the charge transfer dynamics is analyzed. The continuous behavior of the TiO2 conduction band is accounted for by a Legendre polynomials expansion. The simulations consider optical excitation of the dye molecule coupled to the MNP and the subsequent electron injection into the TiO2 semiconductor. Due to the energy transfer coupling between the molecule and the MNP optical excitation and subsequent charge injection into semiconductor is strongly enhanced. The respective enhancement factor can reach values larger than 103. Effects of pulse duration, coupling strength and energetic resonances are also analyzed. The whole approach offers an efficient way to increase charge injection in dye-sensitized solar cells.

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

NASA Technical Reports Server (NTRS)

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

1974-01-01

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

Interfacial Strength and Physical Properties of Functionalized Graphene - Epoxy Nanocomposites

NASA Technical Reports Server (NTRS)

Miller, Sandi G.; Heimann, Paula; Scheiman, Daniel; Adamson, Douglas H.; Aksay, Iihan A.; Prud'homme, Robert K.

2006-01-01

The toughness and coefficient of thermal expansion of a series of functionalized graphene sheet - epoxy nanocomposites are investigated. Functionalized graphene sheets are produced by splitting graphite oxide into single graphene sheets through a rapid thermal expansion process. These graphene sheets contain approx. 10% oxygen due to the presence of hydroxide, epoxide, and carboxyl functional groups which assist in chemical bond formation with the epoxy matrix. Intrinsic surface functionality is used to graft alkyl amine chains on the graphene sheets, and the addition of excess hardener insures covalent bonding between the epoxide matrix and graphene sheets. Considerable improvement in the epoxy dimensional stability is obtained. An increase in nanocomposite toughness is observed in some cases.

Matrix metalloproteinase-2 gene variants and abdominal aortic aneurysm.

PubMed

Smallwood, L; Warrington, N; Allcock, R; van Bockxmeer, F; Palmer, L J; Iacopetta, B; Golledge, J; Norman, P E

2009-08-01

To investigate associations between two polymorphisms of the matrix metalloproteinase-2 gene (MMP2) and the incidence and progression of abdominal aortic aneurysm (AAA). Cases and controls were recruited from a trial of screening for AAAs. The association between two variants of MMP2 (-1360C>T, and +649C>T) in men with AAA (n=678) and in controls (n=659) was examined using multivariate analyses. The association with AAA expansion (n=638) was also assessed. In multivariate analyses with adjustments for multiple testing, no association between either SNP and AAA presence or expansion was detected. MMP2 -1360C>T and +649C>T variants are not risk factors for AAA.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Steepening of the density profile under the action of a ponderomotive force during isothermal planar plasma expansion

NASA Astrophysics Data System (ADS)

Garanin, Sergey G.; Kir'yanov, Yu F.; Kochemasov, G. G.

1990-06-01

A theoretical investigation is reported of the deformation of the density profile of a plasma by a ponderomotive force under transient conditions. Initially, the structure of the density profile near the critical point coincides exactly with the solution of the steady-state problem. Plasma expansion is accompanied by growth of a spiky instability in the form of stimulated Brillouin scattering.

Aspects of fabrication aluminium matrix heterophase composites by suspension method

NASA Astrophysics Data System (ADS)

Dolata, A. J.; Dyzia, M.

2012-05-01

Composites with an aluminium alloy matrix (AlMMC) exhibit several advantageous properties such as good strength, stiffness, low density, resistance and dimensional stability to elevated temperatures, good thermal expansion coefficient and particularly high resistance to friction wear. Therefore such composites are more and more used in modern engineering constructions. Composites reinforced with hard ceramic particles (Al2O3, SiC) are gradually being implemented into production in automotive or aircraft industries. Another application of AlMMC is in the electronics industry, where the dimensional stability and capacity to absorb and remove heat is used in radiators. However the main problems are still: a reduction of production costs, developing methods of composite material tests and final product quality assessment, standardisation, development of recycling and mechanical processing methods. AlMMC production technologies, based on liquid-phase methods, and the shaping of products by casting methods, belong to the cheapest production methods. Application of a suspension method for the production of composites with heterophase reinforcement may turn out to be a new material and technological solution. The article presents the material and technological aspects of the transfer procedures for the production of composite suspensions from laboratory scale to a semi-industrial scale.

The intrapair electron correlation in natural orbital functional theory

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

Piris, M.; Donostia International Physics Center; IKERBASQUE, Basque Foundation for Science, 48011 Bilbao

2013-12-21

A previously proposed [M. Piris, X. Lopez, F. Ruipérez, J. M. Matxain, and J. M. Ugalde, J. Chem. Phys. 134, 164102 (2011)] formulation of the two-particle cumulant, based on an orbital-pairing scheme, is extended here for including more than two natural orbitals. This new approximation is used to reconstruct the two-particle reduced density matrix (2-RDM) constrained to the D, Q, and G positivity necessary conditions of the N-representable 2-RDM. In this way, we have derived an extended version of the Piris natural orbital functional 5 (PNOF5e). An antisymmetrized product of strongly orthogonal geminals with the expansion coefficients explicitly expressed bymore » the occupation numbers is also used to generate the PNOF5e. The theory is applied to the homolytic dissociation of selected diatomic molecules: H{sub 2}, LiH, and Li{sub 2}. The Bader's theory of atoms in molecules is used to analyze the electron density and the presence of non-nuclear maxima in the case of a set of light atomic clusters: Li{sub 2}, Li {sub 3}{sup +}, Li {sub 4}{sup 2+}, and H{sub 3}{sup +}. The improvement of PNOF5e over PNOF5 was observed by visualizing the electron densities.« less

Cosmological constraints from multiple tracers in spectroscopic surveys

NASA Astrophysics Data System (ADS)

Alarcon, Alex; Eriksen, Martin; Gaztanaga, Enrique

2018-01-01

We use the Fisher matrix formalism to study the expansion and growth history of the Universe using galaxy clustering with 2D angular cross-correlation tomography in spectroscopic or high-resolution photometric redshift surveys. The radial information is contained in the cross-correlations between narrow redshift bins. We show how multiple tracers with redshift space distortions cancel sample variance and arbitrarily improve the constraints on the dark energy equation of state ω(z) and the growth parameter γ in the noiseless limit. The improvement for multiple tracers quickly increases with the bias difference between the tracers, up to a factor ∼4 in FoMγω. We model a magnitude limited survey with realistic density and bias using a conditional luminosity function, finding a factor 1.3-9.0 improvement in FoMγω - depending on global density - with a split in a halo mass proxy. Partly overlapping redshift bins improve the constraints in multiple tracer surveys a factor ∼1.3 in FoMγω. This finding also applies to photometric surveys, where the effect of using multiple tracers is magnified. We also show large improvement on the FoM with increasing density, which could be used as a trade-off to compensate some possible loss with radial resolution.

REVIEWS OF TOPICAL PROBLEMS: Cosmic vacuum

NASA Astrophysics Data System (ADS)

Chernin, Artur D.

2001-11-01

Recent observational studies of distant supernovae have suggested the existence of cosmic vacuum whose energy density exceeds the total density of all the other energy components in the Universe. The vacuum produces the field of antigravity that causes the cosmological expansion to accelerate. It is this accelerated expansion that has been discovered in the observations. The discovery of cosmic vacuum radically changes our current understanding of the present state of the Universe. It also poses new challenges to both cosmology and fundamental physics. Why is the density of vacuum what it is? Why do the densities of the cosmic energy components differ in exact value but agree in order of magnitude? On the other hand, the discovery made at large cosmological distances of hundreds and thousands Mpc provides new insights into the dynamics of the nearby Universe, the motions of galaxies in the local volume of 10 - 20 Mpc where the cosmological expansion was originally discovered.

An accurate analytic description of neutrino oscillations in matter

NASA Astrophysics Data System (ADS)

Akhmedov, E. Kh.; Niro, Viviana

2008-12-01

A simple closed-form analytic expression for the probability of two-flavour neutrino oscillations in a matter with an arbitrary density profile is derived. Our formula is based on a perturbative expansion and allows an easy calculation of higher order corrections. The expansion parameter is small when the density changes relatively slowly along the neutrino path and/or neutrino energy is not very close to the Mikheyev-Smirnov-Wolfenstein (MSW) resonance energy. Our approximation is not equivalent to the adiabatic approximation and actually goes beyond it. We demonstrate the validity of our results using a few model density profiles, including the PREM density profile of the Earth. It is shown that by combining the results obtained from the expansions valid below and above the MSW resonance one can obtain a very good description of neutrino oscillations in matter in the entire energy range, including the resonance region.

Directly susceptible, noncarbon metal ceramic composite crucible

DOEpatents

Holcombe, Jr., Cressie E.; Kiggans, Jr., James O.; Morrow, S. Marvin; Rexford, Donald

1999-01-01

A sintered metal ceramic crucible suitable for high temperature induction melting of reactive metals without appreciable carbon or silicon contamination of the melt. The crucible comprises a cast matrix of a thermally conductive ceramic material; a perforated metal sleeve, which serves as a susceptor for induction heating of the crucible, embedded within the ceramic cast matrix; and a thermal-shock-absorber barrier interposed between the metal sleeve and the ceramic cast matrix to allow for differential thermal expansions between the matrix and the metal sleeve and to act as a thermal-shock-absorber which moderates the effects of rapid changes of sleeve temperature on the matrix.

Partially coherent electron transport in terahertz quantum cascade lasers based on a Markovian master equation for the density matrix

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

Jonasson, O.; Karimi, F.; Knezevic, I.

2016-08-01

We derive a Markovian master equation for the single-electron density matrix, applicable to quantum cascade lasers (QCLs). The equation conserves the positivity of the density matrix, includes off-diagonal elements (coherences) as well as in-plane dynamics, and accounts for electron scattering with phonons and impurities. We use the model to simulate a terahertz-frequency QCL, and compare the results with both experiment and simulation via nonequilibrium Green's functions (NEGF). We obtain very good agreement with both experiment and NEGF when the QCL is biased for optimal lasing. For the considered device, we show that the magnitude of coherences can be a significantmore » fraction of the diagonal matrix elements, which demonstrates their importance when describing THz QCLs. We show that the in-plane energy distribution can deviate far from a heated Maxwellian distribution, which suggests that the assumption of thermalized subbands in simplified density-matrix models is inadequate. As a result, we also show that the current density and subband occupations relax towards their steady-state values on very different time scales.« less

Modeling laser beam diffraction and propagation by the mode-expansion method.

PubMed

Snyder, James J

2007-08-01

In the mode-expansion method for modeling propagation of a diffracted beam, the beam at the aperture can be expanded as a weighted set of orthogonal modes. The parameters of the expansion modes are chosen to maximize the weighting coefficient of the lowest-order mode. As the beam propagates, its field distribution can be reconstructed from the set of weighting coefficients and the Gouy phase of the lowest-order mode. We have developed a simple procedure to implement the mode-expansion method for propagation through an arbitrary ABCD matrix, and we have demonstrated that it is accurate in comparison with direct calculations of diffraction integrals and much faster.

The ab-initio density matrix renormalization group in practice.

PubMed

Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic

2015-01-21

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

Derivation of the density functional theory from the cluster expansion.

PubMed

Hsu, J Y

2003-09-26

The density functional theory is derived from a cluster expansion by truncating the higher-order correlations in one and only one term in the kinetic energy. The formulation allows self-consistent calculation of the exchange correlation effect without imposing additional assumptions to generalize the local density approximation. The pair correlation is described as a two-body collision of bound-state electrons, and modifies the electron- electron interaction energy as well as the kinetic energy. The theory admits excited states, and has no self-interaction energy.

Development of edge effects around experimental ecosystem hotspots is affected by edge density and matrix type

USDA-ARS?s Scientific Manuscript database

Ecological edge effects are sensitive to landscape context. In particular, edge effects can be altered by matrix type and by the presence of other nearby edges. We experimentally altered patch configurations in an African savanna to determine how edge density and matrix type influence edge effect de...

Co-delivery of micronized urinary bladder matrix damps regenerative capacity of minced muscle grafts in the treatment of volumetric muscle loss injuries

PubMed Central

Corona, Benjamin T.

2017-01-01

Minced muscle grafts (MG) promote de novo muscle fiber regeneration and neuromuscular strength recovery in small and large animal models of volumetric muscle loss. The most noteworthy limitation of this approach is its reliance on a finite supply of donor tissue. To address this shortcoming, this study sought to evaluate micronized acellular urinary bladder matrix (UBM) as a scaffolding to promote in vivo expansion of this MG therapy in a rat model. Rats received volumetric muscle loss injuries to the tibialis anterior muscle of their left hind limb which were either left untreated or repaired with minced muscle graft at dosages of 50% and 100% of the defect mass, urinary bladder matrix in isolation, or a with an expansion product consisting of a combination of the two putative therapies in which the minced graft is delivered at a dosage of 50% of the defect mass. Rats survived to 2 and 8 weeks post injury before functional (in vivo neuromuscular strength), histological, morphological, and biochemical analyses were performed. Rats treated with the expansion product exhibited improved neuromuscular function relative to untreated VML after an 8 week time period following injury. This improvement in functional capacity, however, was accompanied with a concomitant reduction in graft mediated regeneration, as evidenced cell lineage tracing enable by a transgenic GFP expressing donor, and a mixed histological outcome indicating coincident fibrous matrix deposition with interspersed islands of nascent muscle fibers. Furthermore, quantitative immunofluorescence and transcriptional analysis following the 2 week time point suggests an exacerbated immune response to the UBM as a possible nidus for the observed suboptimal regenerative outcome. Moving forward, efforts related to the development of a MG expansion product should carefully consider the effects of the host immune response to candidate biomaterials in order to avoid undesirable dysregulation of pro-regenerative cross talk between the immune system and myogenic processes. PMID:29040321

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.

Identity Formation of Teacher-Mentors: An Analysis of Contrasting Experiences Using a Wengerian Matrix Framework

ERIC Educational Resources Information Center

Kwan, Tammy; Lopez-Real, Francis

2010-01-01

In order to understand the process of identity formation in a community of practice, Wenger (2002) proposes a matrix framework whereby three qualities (connectedness, expansiveness and effectiveness) are matched against three modes of belonging (engagement, imagination and alignment). In this paper we use this framework to analyse the experiences…

Density matrix renormalization group with efficient dynamical electron correlation through range separation

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

Hedegård, Erik Donovan, E-mail: erik.hedegard@phys.chem.ethz.ch; Knecht, Stefan; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

2015-06-14

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

A matrix-based approach to solving the inverse Frobenius-Perron problem using sequences of density functions of stochastically perturbed dynamical systems

NASA Astrophysics Data System (ADS)

Nie, Xiaokai; Coca, Daniel

2018-01-01

The paper introduces a matrix-based approach to estimate the unique one-dimensional discrete-time dynamical system that generated a given sequence of probability density functions whilst subjected to an additive stochastic perturbation with known density.

A matrix-based approach to solving the inverse Frobenius-Perron problem using sequences of density functions of stochastically perturbed dynamical systems.

PubMed

Nie, Xiaokai; Coca, Daniel

2018-01-01

The paper introduces a matrix-based approach to estimate the unique one-dimensional discrete-time dynamical system that generated a given sequence of probability density functions whilst subjected to an additive stochastic perturbation with known density.

Ferns are less dependent on passive dilution by cell expansion to coordinate leaf vein and stomatal spacing than angiosperms

PubMed Central

Jordan, Gregory J.; Brodribb, Timothy J.

2017-01-01

Producing leaves with closely spaced veins is a key innovation linked to high rates of photosynthesis in angiosperms. A close geometric link between veins and stomata in angiosperms ensures that investment in enhanced venous water transport provides the strongest net carbon return to the plant. This link is underpinned by “passive dilution” via expansion of surrounding cells. However, it is not known whether this ‘passive dilution’ mechanism is present in plant lineages other than angiosperms and is another key feature of the angiosperms’ evolutionary success. Consequently, we sought to determine whether the ‘passive dilution’ mechanism is; (i) exclusive to the angiosperms, (ii) a conserved mechanism that evolved in the common ancestor of ferns and angiosperms, or (iii) has evolved continuously over time. To do this we first we assessed the plasticity of vein and stomatal density and epidermal cell size in ferns in response to light environment. We then compared the relationships between these traits found among ferns with modelled relationships that assume vein and stomatal density respond passively to epidermal cell expansion, and with those previously observed in angiosperms. Vein density, stomatal density and epidermal cell size were linked in ferns with remarkably similar relationships to those observed in angiosperms, except that fern leaves had fewer veins per stomata. However, plasticity was limited in ferns and stomatal spacing was dependent on active stomatal differentiation as well as passive cell expansion. Thus, ferns (like angiosperms) appear to coordinate vein and stomatal density with epidermal cell expansion to some extent to maintain a constant ratio between veins and stomata in the leaf. The different general relationships between vein density and stomatal density in ferns and angiosperms suggests the groups have different optimum balances between the production of vein tissue dedicated to water supply and stomatal tissue for gas exchange. PMID:28953931

Parallel scalability of Hartree-Fock calculations

NASA Astrophysics Data System (ADS)

Chow, Edmond; Liu, Xing; Smelyanskiy, Mikhail; Hammond, Jeff R.

2015-03-01

Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree-Fock calculations. The construction of the Fock matrix and the density matrix calculation are analyzed separately. For the former, we use a parallelization of Fock matrix construction based on a static partitioning of work followed by a work stealing phase. For the latter, we use density matrix purification from the linear scaling methods literature, but without using sparsity. When using large numbers of nodes for moderately sized problems, density matrix computations are network-bandwidth bound, making purification methods potentially faster than eigendecomposition methods.

Ceramic sealants prepared by polymer pyrolysis

NASA Astrophysics Data System (ADS)

Hong, Sung Jin; Kim, Deug Joong; Yoo, Young Sung

2011-02-01

The formation and properties of ceramic seals for SOFC applications prepared by polymer pyrolysis are investigated. A mixture with polymethylsiloxane and fillers are pyrolyzed in a N2 atmosphere. The coefficient of thermal expansion of the ceramic composites was controlled by fillers with a high coefficient of thermal expansion such as AlCo. The morphology of the ceramic composites derived from the mixture with polymethylsiloxane and fillers is composed of fillers embedded in a Si-O-C glass matrix. The thermal expansion behavior and sealing characteristics are measured and discussed

A lightweight universe?

PubMed Central

Bahcall, Neta A.; Fan, Xiaohui

1998-01-01

How much matter is there in the universe? Does the universe have the critical density needed to stop its expansion, or is the universe underweight and destined to expand forever? We show that several independent measures, especially those utilizing the largest bound systems known—clusters of galaxies—all indicate that the mass-density of the universe is insufficient to halt the expansion. A promising new method, the evolution of the number density of clusters with time, provides the most powerful indication so far that the universe has a subcritical density. We show that different techniques reveal a consistent picture of a lightweight universe with only ∼20–30% of the critical density. Thus, the universe may expand forever. PMID:9600898

Interphase layer optimization for metal matrix composites with fabrication considerations

NASA Technical Reports Server (NTRS)

Morel, M.; Saravanos, D. A.; Chamis, C. C.

1991-01-01

A methodology is presented to reduce the final matrix microstresses for metal matrix composites by concurrently optimizing the interphase characteristics and fabrication process. Application cases include interphase tailoring with and without fabrication considerations for two material systems, graphite/copper and silicon carbide/titanium. Results indicate that concurrent interphase/fabrication optimization produces significant reductions in the matrix residual stresses and strong coupling between interphase and fabrication tailoring. The interphase coefficient of thermal expansion and the fabrication consolidation pressure are the most important design parameters and must be concurrently optimized to further reduce the microstresses to more desirable magnitudes.

The free and forced vibrations of structures using the finite dynamic element method. Ph.D. Thesis, Aug. 1991 Final Report

NASA Technical Reports Server (NTRS)

Fergusson, Neil J.

1992-01-01

In addition to an extensive review of the literature on exact and corrective displacement based methods of vibration analysis, a few theorems are proven concerning the various structural matrices involved in such analyses. In particular, the consistent mass matrix and the quasi-static mass matrix are shown to be equivalent, in the sense that the terms in their respective Taylor expansions are proportional to one another, and that they both lead to the same dynamic stiffness matrix when used with the appropriate stiffness matrix.

Angular distribution and polarization of atomic radiative emission in electric and magnetic fields

NASA Astrophysics Data System (ADS)

Jacobs, V. L.; Filuk, A. B.

1999-09-01

A density-matrix approach has been developed for the angular distribution and polarization of radiative emission during single-photon atomic transitions for a general set of steady-state excitation processes in an arbitrary arrangement of static (or quasistatic) electric and magnetic fields. Particular attention has been directed at spectroscopic observations in the intense fields of the high-power ion diodes on the Particle Beam Fusion Accelerator II (PBFA II) and SABRE devices at Sandia National Laboratories and at magnetic-field measurements in tokamak plasmas. The field-dependent atomic eigenstates are represented as expansions in a complete basis set of field-free bound and continuum eigenstates. Particular emphasis has been given to directed-electron collisional excitations, which may be produced by an anisotropic incident-electron velocity distribution. We have allowed for the possibility of the coherent excitation of the nearly degenerate field-dependent atomic substates, which can give rise to a complex spectral pattern of overlapping Stark-Zeeman components. Coherent excitations may be produced by a beam of electrons that are spin-polarized at an angle with respect to the propagation direction or by nonparallel electric and magnetic fields. Our main result is a general expression for the matrix elements of the photon-polarization density operator representing the total intensity, angular distribution, and polarization of the atomic radiative emission. For the observation of radiative emission in the direction of the magnetic field, the detection of linearly polarized emission, in addition to the usual circularly polarized radiation, can reveal the presence of a perpendicular electric field or a coherent excitation mechanism.

Angular distribution and polarization of atomic radiative emission in electric and magnetic fields

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

Jacobs, V.L.; Filuk, A.B.

A density-matrix approach has been developed for the angular distribution and polarization of radiative emission during single-photon atomic transitions for a general set of steady-state excitation processes in an arbitrary arrangement of static (or quasistatic) electric and magnetic fields. Particular attention has been directed at spectroscopic observations in the intense fields of the high-power ion diodes on the Particle Beam Fusion Accelerator II (PBFA II) and SABRE devices at Sandia National Laboratories and at magnetic-field measurements in tokamak plasmas. The field-dependent atomic eigenstates are represented as expansions in a complete basis set of field-free bound and continuum eigenstates. Particular emphasismore » has been given to directed-electron collisional excitations, which may be produced by an anisotropic incident-electron velocity distribution. We have allowed for the possibility of the coherent excitation of the nearly degenerate field-dependent atomic substates, which can give rise to a complex spectral pattern of overlapping Stark-Zeeman components. Coherent excitations may be produced by a beam of electrons that are spin-polarized at an angle with respect to the propagation direction or by nonparallel electric and magnetic fields. Our main result is a general expression for the matrix elements of the photon-polarization density operator representing the total intensity, angular distribution, and polarization of the atomic radiative emission. For the observation of radiative emission in the direction of the magnetic field, the detection of linearly polarized emission, in addition to the usual circularly polarized radiation, can reveal the presence of a perpendicular electric field or a coherent excitation mechanism.« less

Spectral likelihood expansions for Bayesian inference

NASA Astrophysics Data System (ADS)

Nagel, Joseph B.; Sudret, Bruno

2016-03-01

A spectral approach to Bayesian inference is presented. It pursues the emulation of the posterior probability density. The starting point is a series expansion of the likelihood function in terms of orthogonal polynomials. From this spectral likelihood expansion all statistical quantities of interest can be calculated semi-analytically. The posterior is formally represented as the product of a reference density and a linear combination of polynomial basis functions. Both the model evidence and the posterior moments are related to the expansion coefficients. This formulation avoids Markov chain Monte Carlo simulation and allows one to make use of linear least squares instead. The pros and cons of spectral Bayesian inference are discussed and demonstrated on the basis of simple applications from classical statistics and inverse modeling.

Filtering with Marked Point Process Observations via Poisson Chaos Expansion

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

Sun Wei, E-mail: wsun@mathstat.concordia.ca; Zeng Yong, E-mail: zengy@umkc.edu; Zhang Shu, E-mail: zhangshuisme@hotmail.com

2013-06-15

We study a general filtering problem with marked point process observations. The motivation comes from modeling financial ultra-high frequency data. First, we rigorously derive the unnormalized filtering equation with marked point process observations under mild assumptions, especially relaxing the bounded condition of stochastic intensity. Then, we derive the Poisson chaos expansion for the unnormalized filter. Based on the chaos expansion, we establish the uniqueness of solutions of the unnormalized filtering equation. Moreover, we derive the Poisson chaos expansion for the unnormalized filter density under additional conditions. To explore the computational advantage, we further construct a new consistent recursive numerical schememore » based on the truncation of the chaos density expansion for a simple case. The new algorithm divides the computations into those containing solely system coefficients and those including the observations, and assign the former off-line.« less

Multiscale characterization of chemical–mechanical interactions between polymer fibers and cementitious matrix

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

Hernández-Cruz, Daniel; Hargis, Craig W.; Bae, Sungchul

2014-04-01

Together with a series of mechanical tests, the interactions and potential bonding between polymeric fibers and cementitious materials were studied using scanning transmission X-ray microscopy (STXM) and microtomography (lCT). Experimental results showed that these techniques have great potential to characterize the polymer fiber-hydrated cement-paste matrix interface, as well as differentiating the chemistry of the two components of a bi-polymer (hybrid) fiber the polypropylene core and the ethylene acrylic acid copolymer sheath. Similarly, chemical interactions between the hybrid fiber and the cement hydration products were observed, indicating the chemical bonding between the sheath and the hardened cement paste matrix. Microtomography allowedmore » visualization of the performance of the samples, and the distribution and orientation of the two types of fiber in mortar. Beam flexure tests confirmed improved tensile strength of mixes containing hybrid fibers, and expansion bar tests showed similar reductions in expansion for the polypropylene and hybrid fiber mortar bars.« less

Expansion of Endothelial Progenitor Cells in High Density Dot Culture of Rat Bone Marrow Cells

PubMed Central

Wang, Ling; Kretlow, James D.; Zhou, Guangdong; Cao, Yilin; Liu, Wei; Zhang, Wen Jie

2014-01-01

In vitro expansion of endothelial progenitor cells (EPCs) remains a challenge in stem cell research and its application. We hypothesize that high density culture is able to expand EPCs from bone marrow by mimicking cell-cell interactions of the bone marrow niche. To test the hypothesis, rat bone marrow cells were either cultured in high density (2×105 cells/cm2) by seeding total 9×105 cells into six high density dots or cultured in regular density (1.6×104 cells/cm2) with the same total number of cells. Flow cytometric analyses of the cells cultured for 15 days showed that high density cells exhibited smaller cell size and higher levels of marker expression related to EPCs when compared to regular density cultured cells. Functionally, these cells exhibited strong angiogenic potentials with better tubal formation in vitro and potent rescue of mouse ischemic limbs in vivo with their integration into neo-capillary structure. Global gene chip and ELISA analyses revealed up-regulated gene expression of adhesion molecules and enhanced protein release of pro-angiogenic growth factors in high density cultured cells. In summary, high density cell culture promotes expansion of bone marrow contained EPCs that are able to enhance tissue angiogenesis via paracrine growth factors and direct differentiation into endothelial cells. PMID:25254487

A Stress Gradient Failure Theory for Textile Structural Composites

DTIC Science & Technology

2006-05-01

additional element failures occur. Incorporation of thermal stresses and investigation of the coefficient of thermal expansion is another potential...avenue for further development of the failure modeling. Due to mismatches between the coefficient of thermal expansion of constituent materials...directly from ABAQUS software, which yields element volumes as outputs, thus the volume of all matrix elements can be compared to the volume of all

The accurate solution of Poisson's equation by expansion in Chebyshev polynomials

NASA Technical Reports Server (NTRS)

Haidvogel, D. B.; Zang, T.

1979-01-01

A Chebyshev expansion technique is applied to Poisson's equation on a square with homogeneous Dirichlet boundary conditions. The spectral equations are solved in two ways - by alternating direction and by matrix diagonalization methods. Solutions are sought to both oscillatory and mildly singular problems. The accuracy and efficiency of the Chebyshev approach compare favorably with those of standard second- and fourth-order finite-difference methods.

Modified Hartree-Fock-Bogoliubov theory at finite temperature

NASA Astrophysics Data System (ADS)

Dinh Dang, Nguyen; Arima, Akito

2003-07-01

The modified Hartree-Fock-Bogoliubov (MHFB) theory at finite temperature is derived, which conserves the unitarity relation of the particle-density matrix. This is achieved by constructing a modified-quasiparticle-density matrix, where the fluctuation of the quasiparticle number is microscopically built in. This matrix can be directly obtained from the usual quasiparticle-density matrix by applying the secondary Bogoliubov transformation, which includes the quasiparticle-occupation number. It is shown that, in the limit of constant pairing parameter, the MHFB theory yields the previously obtained modified BCS (MBCS) equations. It is also proved that the modified quasiparticle-random-phase approximation, which is based on the MBCS quasiparticle excitations, conserves the Ikeda sum rule. The numerical calculations of the pairing gap, heat capacity, level density, and level-density parameter within the MBCS theory are carried out for 120Sn. The results show that the superfluid-normal phase transition is completely washed out. The applicability of the MBCS up to a temperature as high as T˜5 MeV is analyzed in detail.

Tailored benzoxazines as novel resin systems for printed circuit boards in high temperature e-mobility applications

NASA Astrophysics Data System (ADS)

Troeger, K.; Darka, R. Khanpour; Neumeyer, T.; Altstaedt, V.

2014-05-01

This study focuses on the development of Bisphenol-F-benzoxazine resins blended with different ratios of a trifunctional epoxy resin suitable as matrix for substrates for high temperature printed circuit board (HT-PCB) applications. With the benzoxazine blends glass transition temperatures of more than 190 °C could be achieved in combination with a coefficient of thermal expansion in thickness direction (z-CTE) of less than 60 ppm/K without adding any fillers. This shows the high potential of the benzoxazine-epoxy blend systems as substrate materials for HT-PCBs. To understand the thermal behavior of the different formulations, the apparent crosslink density was calculated based on data from Dynamic Mechanical Analysis. Laminates in laboratory scale were prepared and characterized to demonstrate the transformation of the neat resin properties into real electronic substrate properties. The produced laminates exhibit a z-CTE below 40 ppm/K.

Accuracy of topological entanglement entropy on finite cylinders.

PubMed

Jiang, Hong-Chen; Singh, Rajiv R P; Balents, Leon

2013-09-06

Topological phases are unique states of matter which support nonlocal excitations which behave as particles with fractional statistics. A universal characterization of gapped topological phases is provided by the topological entanglement entropy (TEE). We study the finite size corrections to the TEE by focusing on systems with a Z2 topological ordered state using density-matrix renormalization group and perturbative series expansions. We find that extrapolations of the TEE based on the Renyi entropies with a Renyi index of n≥2 suffer from much larger finite size corrections than do extrapolations based on the von Neumann entropy. In particular, when the circumference of the cylinder is about ten times the correlation length, the TEE obtained using von Neumann entropy has an error of order 10(-3), while for Renyi entropies it can even exceed 40%. We discuss the relevance of these findings to previous and future searches for topological ordered phases, including quantum spin liquids.

Unsteady combustion of solid propellants

NASA Astrophysics Data System (ADS)

Chung, T. J.; Kim, P. K.

The oscillatory motions of all field variables (pressure, temperature, velocity, density, and fuel fractions) in the flame zone of solid propellant rocket motors are calculated using the finite element method. The Arrhenius law with a single step forward chemical reaction is used. Effects of radiative heat transfer, impressed arbitrary acoustic wave incidence, and idealized mean flow velocities are also investigated. Boundary conditions are derived at the solid-gas interfaces and at the flame edges which are implemented via Lagrange multipliers. Perturbation expansions of all governing conservation equations up to and including the second order are carried out so that nonlinear oscillations may be accommodated. All excited frequencies are calculated by means of eigenvalue analyses, and the combustion response functions corresponding to these frequencies are determined. It is shown that the use of isoparametric finite elements, Gaussian quadrature integration, and the Lagrange multiplier boundary matrix scheme offers a convenient approach to two-dimensional calculations.

Tailored benzoxazines as novel resin systems for printed circuit boards in high temperature e-mobility applications

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

Troeger, K., E-mail: altstaedt@uni-bayreuth.de; Darka, R. Khanpour, E-mail: altstaedt@uni-bayreuth.de; Neumeyer, T., E-mail: altstaedt@uni-bayreuth.de

2014-05-15

This study focuses on the development of Bisphenol-F-benzoxazine resins blended with different ratios of a trifunctional epoxy resin suitable as matrix for substrates for high temperature printed circuit board (HT-PCB) applications. With the benzoxazine blends glass transition temperatures of more than 190 °C could be achieved in combination with a coefficient of thermal expansion in thickness direction (z-CTE) of less than 60 ppm/K without adding any fillers. This shows the high potential of the benzoxazine-epoxy blend systems as substrate materials for HT-PCBs. To understand the thermal behavior of the different formulations, the apparent crosslink density was calculated based on datamore » from Dynamic Mechanical Analysis. Laminates in laboratory scale were prepared and characterized to demonstrate the transformation of the neat resin properties into real electronic substrate properties. The produced laminates exhibit a z-CTE below 40 ppm/K.« less

Matrix-assisted energy conversion in nanostructured piezoelectric arrays

DOEpatents

Sirbuly, Donald J.; Wang, Xianying; Wang, Yinmin

2013-01-01

A nanoconverter is capable of directly generating electricity through a nanostructure embedded in a polymer layer experiencing differential thermal expansion in a stress transfer zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or substantially vertically aligned on a substrate. The resulting nanoforest is then embedded with the polymer layer, which transfers stress to the nanostructures in the stress transfer zone, thereby creating a nanostructure voltage output due to the piezoelectric effect acting on the nanostructure. Electrodes attached at both ends of the nanostructures generate output power at densities of .about.20 nW/cm.sup.2 with heating temperatures of .about.65.degree. C. Nanoconverters arrayed in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries.

Optical properties of the Tietz-Hua quantum well under the applied external fields

NASA Astrophysics Data System (ADS)

Kasapoglu, E.; Sakiroglu, S.; Ungan, F.; Yesilgul, U.; Duque, C. A.; Sökmen, I.

2017-12-01

In this study, the effects of the electric and magnetic fields as well as structure parameter- γ on the total absorption coefficient, including linear and third order nonlinear absorption coefficients for the optical transitions between any two subband in the Tietz-Hua quantum well have been investigated. The optical transitions were investigated by using the density matrix formalism and the perturbation expansion method. The Tietz-Hua quantum well becomes narrower (wider) when the γ - structure parameter increases (decreases) and so the energies of the bound states will be functions of this parameter. Therefore, we can provide the red or blue shift in the peak position of the absorption coefficient by changing the strength of the electric and magnetic fields as well as the structure parameters and these results can be used to adjust and control the optical properties of the Tietz-Hua quantum well.

Binding energy of donor impurity states and optical absorption in the Tietz-Hua quantum well under an applied electric field

NASA Astrophysics Data System (ADS)

Al, E. B.; Kasapoglu, E.; Sakiroglu, S.; Duque, C. A.; Sökmen, I.

2018-04-01

For a quantum well which has the Tietz-Hua potential, the ground and some excited donor impurity binding energies and the total absorption coefficients, including linear and third order nonlinear terms for the transitions between the related impurity states with respect to the structure parameters and the impurity position as well as the electric field strength are investigated. The binding energies were obtained using the effective-mass approximation within a variational scheme and the optical transitions between any two impurity states were calculated by using the density matrix formalism and the perturbation expansion method. Our results show that the effects of the electric field and the structure parameters on the optical transitions are more pronounced. So we can adjust the red or blue shift in the peak position of the absorption coefficient by changing the strength of the electric field as well as the structure parameters.

A density functional approach to ferrogels

NASA Astrophysics Data System (ADS)

Cremer, P.; Heinen, M.; Menzel, A. M.; Löwen, H.

2017-07-01

Ferrogels consist of magnetic colloidal particles embedded in an elastic polymer matrix. As a consequence, their structural and rheological properties are governed by a competition between magnetic particle-particle interactions and mechanical matrix elasticity. Typically, the particles are permanently fixed within the matrix, which makes them distinguishable by their positions. Over time, particle neighbors do not change due to the fixation by the matrix. Here we present a classical density functional approach for such ferrogels. We map the elastic matrix-induced interactions between neighboring colloidal particles distinguishable by their positions onto effective pairwise interactions between indistinguishable particles similar to a ‘pairwise pseudopotential’. Using Monte-Carlo computer simulations, we demonstrate for one-dimensional dipole-spring models of ferrogels that this mapping is justified. We then use the pseudopotential as an input into classical density functional theory of inhomogeneous fluids and predict the bulk elastic modulus of the ferrogel under various conditions. In addition, we propose the use of an ‘external pseudopotential’ when one switches from the viewpoint of a one-dimensional dipole-spring object to a one-dimensional chain embedded in an infinitely extended bulk matrix. Our mapping approach paves the way to describe various inhomogeneous situations of ferrogels using classical density functional concepts of inhomogeneous fluids.

Parametric studies to determine the effect of compliant layers on metal matrix composite systems

NASA Technical Reports Server (NTRS)

Caruso, J. J.; Chamis, C. C.; Brown, H. C.

1990-01-01

Computational simulation studies are conducted to identify compliant layers to reduce matrix stresses which result from the coefficient of thermal expansion mismatch and the large temperature range over which the current metal matrix composites will be used. The present study includes variations of compliant layers and their properties to determine their influence on unidirectional composite and constituent response. Two simulation methods are used for these studies. The first approach is based on a three-dimensional linear finite element analysis of a 9 fiber unidirectional composite system. The second approach is a micromechanics based nonlinear computer code developed to determine the behavior of metal matrix composite system for thermal and mechanical loads. The results show that an effective compliant layer for the SCS 6 (SiC)/Ti-24Al-11Nb (Ti3Al + Nb) and SCS 6 (SiC)/Ti-15V-3Cr-3Sn-3Al (Ti-15-3) composite systems should have modulus 15 percent that of the matrix and a coefficient of thermal expansion of the compliant layer roughly equal to that of the composite system without the CL. The matrix stress in the longitudinal and the transverse tangent (loop) direction are tensile for the Ti3Al + Nb and Ti-15-3 composite systems upon cool down from fabrication. The fiber longitudinal stress is compressive from fabrication cool down. Addition of a recommended compliant layer will result in a reduction in the composite modulus.

Transition from single to multiple axial potential structure in expanding helicon plasma

NASA Astrophysics Data System (ADS)

Ghosh, Soumen; Chattopadhyay, P. K.; Ghosh, J.; Pal, R.; Bora, D.

2017-02-01

Transition from single to multiple axial potential structure (MAPS) formation is reported in expanding helicon plasma. This transition is created by forming a cusp magnetic field at the downstream after the expansion throat. Two distinct potential drops are separated by a uniform axial potential zone. Non-uniform axial density distribution exists in expanding helicon systems. A cusp-like field nourishes both the axial density gradients sufficient enough for the formation of these two distinct potential drops. It is also shown that both single and multiple axial potential structures are observed only when both geometric and magnetic expansions closely coincide with each other. Coexistence of these two expansions at the same location enhances plasma expansion which facilitates deviation from Boltzmann distribution and violates quasi-neutrality locally.

Asymptotic Expansion of β Matrix Models in the One-cut Regime

NASA Astrophysics Data System (ADS)

Borot, G.; Guionnet, A.

2013-01-01

We prove the existence of a 1/ N expansion to all orders in β matrix models with a confining, offcritical potential corresponding to an equilibrium measure with a connected support. Thus, the coefficients of the expansion can be obtained recursively by the "topological recursion" derived in Chekhov and Eynard (JHEP 0612:026, 2006). Our method relies on the combination of a priori bounds on the correlators and the study of Schwinger-Dyson equations, thanks to the uses of classical complex analysis techniques. These a priori bounds can be derived following (Boutet de Monvel et al. in J Stat Phys 79(3-4):585-611, 1995; Johansson in Duke Math J 91(1):151-204, 1998; Kriecherbauer and Shcherbina in Fluctuations of eigenvalues of matrix models and their applications, 2010) or for strictly convex potentials by using concentration of measure (Anderson et al. in An introduction to random matrices, Sect. 2.3, Cambridge University Press, Cambridge, 2010). Doing so, we extend the strategy of Guionnet and Maurel-Segala (Ann Probab 35:2160-2212, 2007), from the hermitian models ( β = 2) and perturbative potentials, to general β models. The existence of the first correction in 1/ N was considered in Johansson (1998) and more recently in Kriecherbauer and Shcherbina (2010). Here, by taking similar hypotheses, we extend the result to all orders in 1/ N.

Metalloproteinase 2 and 9 Activity Increase in Epicardial Adipose Tissue of Patients with Coronary Artery Disease.

PubMed

Miksztowicz, Verónica; Morales, Celina; Barchuk, Magalí; López, Graciela; Póveda, Ricardo; Gelpi, Ricardo; Schreier, Laura; Rubio, Miguel; Berg, Gabriela

2017-01-01

Epicardial adipose tissue (EAT) is a visceral adipose tissue (AT) surrounding and infiltrating myocardium and coronary arteries. Increased EAT may represent a chronic inflammatory injury and a link with coronary artery disease (CAD). Metalloproteinases (MMPs) are involved in expansion of AT. To evaluate MMP-2 and -9 behaviour in EAT from CAD patients. In EAT and subcutaneous AT (SAT) from patients undergoing coronary artery bypass graft (CABG, n=26) or valve replacement (No CABG, n=18), MMP-2 and -9 activity and localization, inflammatory cells and vascular endothelial growth factor (VEGF) levels were determined. In EAT from CABG, MMP-2 and -9 activity was increased compared with No CABG (p=0.041 and p=0.027, respectively) and compared with SAT (p=0.005 and p=0.048, respectively). In CABG patients EAT showed higher infiltration of macrophages and T lymphocytes than SAT (p=0.01 and p=0.002, respectively). In No CABG patients no sign of cellular retention was observed in EAT or SAT. Vascular density was higher in EAT from CABG than No CABG (p=0.015) and it was directly correlated with MMP-2 (p=0.006) and MMP-9 (p=0.02). VEGF levels in EAT were directly associated with MMP-2 (p=0.016). In EAT from CABG patients the increase of MMP-2 and -9 activity and the presence of inflammatory cells would be partially responsible for extracellular matrix (ECM) remodeling and major vascular density necessary for EAT expansion. Improved knowledge of EAT behaviour may allow to identify new therapeutic targets for the treatment of CAD. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The levels and kinetics of oxygen tension detectable at the surface of human dermal fibroblast cultures.

PubMed

Tokuda, Y; Crane, S; Yamaguchi, Y; Zhou, L; Falanga, V

2000-03-01

Low oxygen tension has recently been shown to stimulate cell growth and clonal expansion, as well as synthesis and transcription of certain growth factors and extracellular matrix components. These results have been obtained by exposing cell cultures to a hypoxic environment. Using an oxygen probe, we have now studied how experimental conditions affect the oxygen tension detectable at the cell surface. Dissolved oxygen tension was directly related to the height of the medium above the cell surface (r = 0.8793, P = 0.021), but was constant when no cells were present in the flask (r = -0. 9732, P = 0.001). In both human dermal fibroblasts and NIH/3T3 cultures, oxygen tension decreased linearly as cell density increased (r = -0.835, P < 0.0001; r = -0.916, P < 0.0001, respectively). When human dermal fibroblasts were exposed to 2% O(2), maximum hypoxic levels (0 mmHg) were achieved within approximately 15 min, and the recovery time was within a similar time frame. The addition of rotenone, an inhibitor of cellular respiration, blocked this decrease in oxygen tension at the cell surface, suggesting that cellular consumption of oxygen is responsible for the decline. Finally, we examined the cell-surface oxygen tension in control and acutely wounded human skin equivalents (HSE), consisting of a keratinocyte layer over a type I collagen matrix containing fibroblasts. We found that oxygen tension dropped significantly (P < 0.0001) in acutely wounded areas of HSE as compared to unwounded areas of HSE and that this drop was prevented by the addition of mitomycin C. These results indicate that cell-surface oxygen tension is indirectly related to cell density, and that the amount of detectable oxygen at the cell surface is a function of cell density, the oxygen tension in the incubator, and increased cellular activity, as occurs after injury. Copyright 2000 Wiley-Liss, Inc.

Nanographene reinforced carbon/carbon composites

NASA Astrophysics Data System (ADS)

Bansal, Dhruv

Carbon/Carbon Composites (CCC) are made of carbon reinforcement in carbon matrix and have high thermal stability and fatigue resistance. CCC are used in nose cones, heat shields and disc brakes of aircrafts due to their exceptional mechanical properties at high temperature. The manufacturing process of CCC involves a carbonization stage in which unwanted elements, except carbon, are eliminated from the polymer precursor. Carbonization results in the formation of voids and cracks due to the thermal mismatch between the reinforcement and the matrix and expulsion of volatiles from the polymer matrix. Thermal cracks and voids decrease the density and mechanical properties of the manufactured CCC. In this work, Nanographene Platelets (NGP) were explored as nanofillers to fill the voids/cracks and reduce thermal shrinkage in CCC. They were first compared with Vapor Grown Carbon Nanofibers (VGCNF) by dispersion of different concentrations (0.5wt%, 1.5wt%, 3wt%) in resole-type phenolic resin and were characterized to explore their effect on rheology, heat of reaction and wetting behavior. The dispersions were then cured to form nanocomposites and were characterized for morphology, flexure and thermal properties. Finally, NGP were introduced into the carbon/carboncomposites in two stages, first by spraying in different concentrations (0.5wt%, 1.5wt%, 3wt%, 5wt %) during the prepreg formation and later during densification by directly mixing in the corresponding densification mix. The manufactured NGP reinforced CCC were characterized for microstructure, porosity, bulk density and mechanical properties (Flexure and ILSS) which were further cross-checked by non-destructive techniques (vibration and ultrasonic). In this study, it was further found that at low concentration (≤ 1.5 wt%) NGP were more effective in increasing the heat of reaction and in decreasing the viscosity of the phenolic resin. The decrease in viscosity led to better wetting properties of NGP / phenolic dispersions compared to VGCNF/phenolic dispersions. In nanocomposites, at low concentration (≤ 1.5 wt%), NGP were effective in increasing the flexure strength, char content and lowering the porosity and coefficient of thermal expansion of neat phenolic resin. At higher concentration (>1.5wt%), NGP had a tendency to agglomerate and lost their effectiveness. The behavior observed in nanocomposites continued in manufactured CCC. The highest Inter Laminar Shear Strength (ILSS), flexure strength/modulus, stiffness and density was observed at 1.5 wt% NGP. In CCC at concentrations > 1.5 wt%, the properties (ILSS, flexure, stiffness, density) decreased due to agglomeration but they were still higher compared to that of neat CCC (without NGP).

Low-Thermal-Expansion Filled Polytetrafluoroethylene

NASA Technical Reports Server (NTRS)

Shapiro, Sanford S.

1989-01-01

PTFE made thermally compatible with aluminum without changing dielectric constant. Manufactured with fillers and pores to reduce coefficient of thermal expansion by factor of 6 to match aluminum. Material retains 2.1 dielectric constant of pure PTFE. Combines filler and micropore concepts. Particles and voids embedded in PTFE matrix function cooperatively. Particles take up compressive stress imposed by contracting PTFE, and voids take up expanding material. Increases dielectric constant, while voids reduce it.

Thermoelastic analysis of matrix crack growth in particulate composites

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

Sridhar, N.; Rickman, J.M.; Srolovitz, D.J.

1995-04-01

The authors examine the conditions under which differences in thermal expansion between a particle and the matrix lead to crack growth within the matrix. Using linear elasticity fracture mechanics, they obtain closed-form, analytical results for the case of a penny shaped crack present in the matrix interacting with a spherical inclusion which is misfitting with respect to the matrix. A simple and direct relationship is established between the strain energy release rate, the crack size, the crack orientation with respect to the inclusion, the crack/inclusion separation, the degree of thermal expansion mismatch and the elastic properties of the medium. Themore » authors also analyze the size to which these cracks can grow and find that for a given misfit strain and material properties, crack growth is inhibited beyond a certain critical crack size. They find that beyond this critical size, the elastic strain energy released upon crack growth is no longer sufficient to compensate for the energy expended in extending the crack, since the crack is growing into the rapidly decreasing stress field. The modification of the above conditions for crack growth due to the superposition of an external stress field has also been analyzed. The preferred orientation of these cracks as a function of misfit strain is predicted. The implication of these results for thermal cycling are analyzed.« less

Phase-Transformation-Induced Extra Thermal Expansion Behavior of (SrxBa1-x)TiO3/Cu Composite.

PubMed

Sheng, Jie; Wang, Lidong; Li, Shouwei; Yin, Benke; Liu, Xiangli; Fei, Wei-Dong

2016-06-03

The properties of metal matrix composites (MMCs) can be optimized effectively through adjusting the type or the volume fraction of reinforcement. Generally, the coefficient of thermal expansion (CTE) of MMCs can be reduced by increasing the volume fraction of the reinforcement with lower CTE than metal matrix. However, it is great challenge to fabricate low CTE MMCs with low reinforcement volume fraction because of the limitation of reinforcement CTEs. SrxBa1-xTiO3 (SBT) powder presents negative thermal expansion behavior during the phase transformation from tetragonal to cubic phase. Here, we demonstrate that the phase transformation of SBT can be utilized to reduce and design the thermal expansion properties of SBT particle-reinforced Cu (SBT/Cu) composite, and ultralow CTE can be obtained in SBT/Cu composite. The X-ray diffraction analysis on heating indicates that the temperature range of phase transformation is extended greatly, therefore, the low CTE can be achieved within wide temperature range. Landau-Devonshire theory study on the phase transformation behaviors of SBT particles in the composite indicates that thermal mismatch stress significantly affects the Curie temperature of SBT particles and the CTE of the composite. The results given in the present study provide a new approach to design the MMCs with low CTE.

A new simple form of quark mixing matrix

NASA Astrophysics Data System (ADS)

Qin, Nan; Ma, Bo-Qiang

2011-01-01

Although different parametrizations of quark mixing matrix are mathematically equivalent, the consequences of experimental analysis may be distinct. Based on the triminimal expansion of Kobayashi-Maskawa matrix around the unit matrix, we propose a new simple parametrization. Compared with the Wolfenstein parametrization, we find that the new form is not only consistent with the original one in the hierarchical structure, but also more convenient for numerical analysis and measurement of the CP-violating phase. By discussing the relation between our new form and the unitarity boomerang, we point out that along with the unitarity boomerang, this new parametrization is useful in hunting for new physics.

String-driven inflation

NASA Technical Reports Server (NTRS)

Turok, Neil

1988-01-01

It is argued that, in fundamental string theories, as one traces the universe back in time a point is reached when the expansion rate is so fast that the rate of string creation due to quantum effects balances the dilution of the string density due to the expansion. One is therefore led into a phase of constant string density and an exponentially expanding universe. Fundamental strings therefore seem to lead naturally to inflation.

Quantitative (31)P NMR spectroscopy and (1)H MRI measurements of bone mineral and matrix density differentiate metabolic bone diseases in rat models.

PubMed

Cao, Haihui; Nazarian, Ara; Ackerman, Jerome L; Snyder, Brian D; Rosenberg, Andrew E; Nazarian, Rosalynn M; Hrovat, Mirko I; Dai, Guangping; Mintzopoulos, Dionyssios; Wu, Yaotang

2010-06-01

In this study, bone mineral density (BMD) of normal (CON), ovariectomized (OVX), and partially nephrectomized (NFR) rats was measured by (31)P NMR spectroscopy; bone matrix density was measured by (1)H water- and fat-suppressed projection imaging (WASPI); and the extent of bone mineralization (EBM) was obtained by the ratio of BMD/bone matrix density. The capability of these MR methods to distinguish the bone composition of the CON, OVX, and NFR groups was evaluated against chemical analysis (gravimetry). For cortical bone specimens, BMD of the CON and OVX groups was not significantly different; BMD of the NFR group was 22.1% (by (31)P NMR) and 17.5% (by gravimetry) lower than CON. For trabecular bone specimens, BMD of the OVX group was 40.5% (by (31)P NMR) and 24.6% (by gravimetry) lower than CON; BMD of the NFR group was 26.8% (by (31)P NMR) and 21.5% (by gravimetry) lower than CON. No significant change of cortical bone matrix density between CON and OVX was observed by WASPI or gravimetry; NFR cortical bone matrix density was 10.3% (by WASPI) and 13.9% (by gravimetry) lower than CON. OVX trabecular bone matrix density was 38.0% (by WASPI) and 30.8% (by gravimetry) lower than CON, while no significant change in NFR trabecular bone matrix density was observed by either method. The EBMs of OVX cortical and trabecular specimens were slightly higher than CON but not significantly different from CON. Importantly, EBMs of NFR cortical and trabecular specimens were 12.4% and 26.3% lower than CON by (31)P NMR/WASPI, respectively, and 4.0% and 11.9% lower by gravimetry. Histopathology showed evidence of osteoporosis in the OVX group and severe secondary hyperparathyroidism (renal osteodystrophy) in the NFR group. These results demonstrate that the combined (31)P NMR/WASPI method is capable of discerning the difference in EBM between animals with osteoporosis and those with impaired bone mineralization. Copyright 2010 Elsevier Inc. All rights reserved.

Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites

NASA Technical Reports Server (NTRS)

Wei, Chengyu; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

2001-01-01

Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and van der Waals forces for polymer-nanotube interface have been used to investigate thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Addition of carbon nanotubes to polymer matrix is found to significantly increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients in the composite above Tg. The increase has been attributed to the temperature dependent increase of the excluded volume for the polymer chains, and the findings could have implications in the composite processing, coating and painting applications.

Making Large Composite Vessels Without Autoclaves

NASA Technical Reports Server (NTRS)

Sigur, W. A.

1989-01-01

Method for making fiber-reinforced composite structure relies on heating and differential thermal expansion to provide temperature and pressure necessary to develop full strength, without having to place structure in large, expensive autoclave. Layers of differentially expanding material squeeze fiber-reinforce composite between them when heated. Method suitable for such cylindrical structures as pressure vessels and tanks. Used for both resin-matrix and metal-matrix composites.

Microcellular injection molding process for producing lightweight thermoplastic polyurethane with customizable properties

NASA Astrophysics Data System (ADS)

Ellingham, Thomas; Kharbas, Hrishikesh; Manitiu, Mihai; Scholz, Guenter; Turng, Lih-Sheng

2018-03-01

A three-stage molding process involving microcellular injection molding with core retraction and an "out-of-mold" expansion was developed to manufacture thermoplastic polyurethane into lightweight foams of varying local densities, microstructures, and mechanical properties in the same microcellular injection molded part. Two stages of cavity expansion through sequential core retractions and a third expansion in a separate mold at an elevated temperature were carried out. The densities varied from 0.25 to 0.42 g/cm3 (77% to 62% weight reduction). The mechanical properties varied as well. Cyclic compressive strengths and hysteresis loss ratios, together with the microstructures, were characterized and reported.

Detecting Damage in Ceramic Matrix Composites Using Electrical Resistance

NASA Technical Reports Server (NTRS)

Smith, Craig E.; Gyekenyesi, Andrew

2011-01-01

The majority of damage in SiC/SiC ceramic matrix composites subjected to monotonic tensile loads is in the form of distributed matrix cracks. These cracks initiate near stress concentrations, such as 90 deg fiber tows or large matrix pores and continue to accumulate with additional stress until matrix crack saturation is achieved. Such damage is difficult to detect with conventional nondestructive evaluation techniques (immersion ultrasonics, x-ray, etc.). Monitoring a specimen.s electrical resistance change provides an indirect approach for monitoring matrix crack density. Sylramic-iBN fiber- reinforced SiC composites with a melt infiltrated (MI) matrix were tensile tested at room temperature. Results showed an increase in resistance of more than 500% prior to fracture, which can be detected either in situ or post-damage. A relationship between resistance change and matrix crack density was also determined.

Detecting Cracks in Ceramic Matrix Composites by Electrical Resistance

NASA Technical Reports Server (NTRS)

Smith, Craig; Gyekenyesi, Andrew

2011-01-01

The majority of damage in SiC/SiC ceramic matrix composites subjected to monotonic tensile loads is in the form of distributed matrix cracks. These cracks initiate near stress concentrations, such as 90o fiber tows or large matrix pores and continue to accumulate with additional stress until matrix crack saturation is achieved. Such damage is difficult to detect with conventional nondestructive evaluation techniques (immersion ultrasonics, x-ray, etc.). Monitoring a specimen.s electrical resistance change provides an indirect approach for monitoring matrix crack density. Sylramic-iBN fiber- reinforced SiC composites with a melt infiltrated (MI) matrix were tensile tested at room temperature. Results showed an increase in resistance of more than 500% prior to fracture, which can be detected either in situ or post-damage. A relationship between resistance change and matrix crack density was also determined.

Matrix theory interpretation of discrete light cone quantization string worldsheets

PubMed

Grignani; Orland; Paniak; Semenoff

2000-10-16

We study the null compactification of type-IIA string perturbation theory at finite temperature. We prove a theorem about Riemann surfaces establishing that the moduli spaces of infinite-momentum-frame superstring worldsheets are identical to those of branched-cover instantons in the matrix-string model conjectured to describe M theory. This means that the identification of string degrees of freedom in the matrix model proposed by Dijkgraaf, Verlinde, and Verlinde is correct and that its natural generalization produces the moduli space of Riemann surfaces at all orders in the genus expansion.

Parametrization of fermion mixing matrices in Kobayashi-Maskawa form

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

Qin Nan; Ma Boqiang; Center for High Energy Physics, Peking University, Beijing 100871

2011-02-01

Recent works show that the original Kobayashi-Maskawa (KM) form of fermion mixing matrix exhibits some advantages, especially when discussing problems such as unitarity boomerangs and maximal CP violation hypothesis. Therefore, the KM form of fermion mixing matrix is systematically studied in this paper. Starting with a general triminimal expansion of the KM matrix, we discuss the triminimal and Wolfenstein-like parametrizations with different basis matrices in detail. The quark-lepton complementarity relations play an important role in our discussions on describing quark mixing and lepton mixing in a unified way.

Perturbed generalized multicritical one-matrix models

NASA Astrophysics Data System (ADS)

Ambjørn, J.; Chekhov, L.; Makeenko, Y.

2018-03-01

We study perturbations around the generalized Kazakov multicritical one-matrix model. The multicritical matrix model has a potential where the coefficients of zn only fall off as a power 1 /n s + 1. This implies that the potential and its derivatives have a cut along the real axis, leading to technical problems when one performs perturbations away from the generalized Kazakov model. Nevertheless it is possible to relate the perturbed partition function to the tau-function of a KdV hierarchy and solve the model by a genus expansion in the double scaling limit.

Mechanical and physical properties of carbon-graphite fiber-reinforced polymers intended for implant suprastructures.

PubMed

Segerström, Susanna; Ruyter, I Eystein

2007-09-01

Mechanical properties and quality of fiber/matrix adhesion of poly(methyl methacrylate) (PMMA)-based materials, reinforced with carbon-graphite (CG) fibers that are able to remain in a plastic state until polymerization, were examined. Tubes of cleaned braided CG fibers were treated with a sizing resin. Two resin mixtures, resin A and resin B, stable in the fluid state and containing different cross-linking agents, were reinforced with CG fiber loadings of 24, 36, and 47 wt% (20, 29, and 38 vol.%). In addition, resin B was reinforced with 58 wt% (47 vol.%). After heat-polymerization, flexural strength and modulus were evaluated, both dry and after water storage. Coefficient of thermal expansion, longitudinally and in the transverse direction of the specimens, was determined. Adhesion between fibers and matrix was evaluated with scanning electron microscopy (SEM). Flexural properties and linear coefficient of thermal expansion were similar for both fiber composites. With increased fiber loading, flexural properties increased. For 47 wt% fibers in polymer A the flexural strength was 547.7 (28.12) MPa and for polymer B 563.3 (89.24) MPa when water saturated. Linear coefficient of thermal expansion was for 47 wt% CG fiber-reinforced polymers; -2.5 x 10(-6) degrees C-1 longitudinally and 62.4 x 10(-6) degrees C-1 in the transverse direction of the specimens. SEM revealed good adhesion between fibers and matrix. More porosity was observed with fiber loading of 58 wt%. The fiber treatment and the developed resin matrices resulted in good adhesion between CG fibers and matrix. The properties observed indicate a potential for implant-retained prostheses.

Exact and approximate many-body dynamics with stochastic one-body density matrix evolution

NASA Astrophysics Data System (ADS)

Lacroix, Denis

2005-06-01

We show that the dynamics of interacting fermions can be exactly replaced by a quantum jump theory in the many-body density matrix space. In this theory, jumps occur between densities formed of pairs of Slater determinants, Dab=|Φa><Φb|, where each state evolves according to the stochastic Schrödinger equation given by O. Juillet and Ph. Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. A stochastic Liouville-von Neumann equation is derived as well as the associated. Bogolyubov-Born-Green-Kirwood-Yvon hierarchy. Due to the specific form of the many-body density along the path, the presented theory is equivalent to a stochastic theory in one-body density matrix space, in which each density matrix evolves according to its own mean-field augmented by a one-body noise. Guided by the exact reformulation, a stochastic mean-field dynamics valid in the weak coupling approximation is proposed. This theory leads to an approximate treatment of two-body effects similar to the extended time-dependent Hartree-Fock scheme. In this stochastic mean-field dynamics, statistical mixing can be directly considered and jumps occur on a coarse-grained time scale. Accordingly, numerical effort is expected to be significantly reduced for applications.

Advanced composite materials for optomechanical systems

NASA Astrophysics Data System (ADS)

Zweben, Carl

2013-09-01

Polymer matrix composites (PMCs) have been well established in optomechanical systems for several decades. The other three classes of composites; metal matrix composites (MMCs), ceramic matrix composites (CMCs), and carbon matrix composites (CAMCs) are making significant inroads. The latter include carbon/carbon (C/C) composites (CCCs). The success of composites has resulted in increasing use in consumer, industrial, scientific, and aerospace/defense optomechanical applications. Composites offer significant advantages over traditional materials, including high stiffnesses and strengths, near-zero and tailorable coefficients of thermal expansion (CTEs), tailorable thermal conductivities (from very low to over twice that of copper), and low densities. In addition, they lack beryllium's toxicity problems. Some manufacturing processes allow parts consolidation, reducing machining and joining operations. At present, PMCs are the most widely used composites. Optomechanical applications date from the 1970s. The second High Energy Astrophysical Observatory spacecraft, placed in orbit in 1978, had an ultrahigh-modulus carbon fiber-reinforced epoxy (carbon/epoxy) optical bench metering structure. Since then, fibers and matrix materials have advanced significantly, and use of carbon fiber-reinforced polymers (CFRPs) has increased steadily. Space system examples include the Hubble Space Telescope metering truss and instrument benches, Upper Atmosphere Research Satellite (UARS), James Webb Space Telescope and many others. Use has spread to airborne applications, such as SOFIA. Perhaps the most impressive CFRP applications are the fifty-four 12m and twelve 7m moveable ground-based ALMA antennas. The other three classes of composites have a number of significant advantages over PMCs, including no moisture absorption or outgassing of organic compounds. CCC and CMC components have flown on a variety of spacecraft. MMCs have been used in space, aircraft, military and industrial applications. In this paper, we review key PMC, MMC, CCC, and CMC optomechanical system materials, including properties, advantages, disadvantages, applications and future developments. These topics are covered in more detail in SPIE short courses SC218 and SC1078.

Low-Density Parity-Check Code Design Techniques to Simplify Encoding

NASA Astrophysics Data System (ADS)

Perez, J. M.; Andrews, K.

2007-11-01

This work describes a method for encoding low-density parity-check (LDPC) codes based on the accumulate-repeat-4-jagged-accumulate (AR4JA) scheme, using the low-density parity-check matrix H instead of the dense generator matrix G. The use of the H matrix to encode allows a significant reduction in memory consumption and provides the encoder design a great flexibility. Also described are new hardware-efficient codes, based on the same kind of protographs, which require less memory storage and area, allowing at the same time a reduction in the encoding delay.

Effect of space exposure of some epoxy matrix composites on their thermal expansion and mechanical properties (A0138-8)

NASA Technical Reports Server (NTRS)

Elberg, R.

1984-01-01

This experiment has three objectives. The first and main objective is to detect a possible variation in the coefficient of thermal expansion of composite samples during a 1-year exposure to the near-Earth orbital environment. A second objective is to detect a possible change in the mechanical integrity of composite products, both simple elements and honeycomb sandwich assemblies. A third objective is to compare the behavior of two epoxy resins commonly used in space structural production. The experimental approach is to passively expose samples of epoxy matrix composite materials to the space environment and to compare preflight and postflight measurements of mechanical properties. The experiment will be located in one of the three FRECOPA (French cooperative payload) boxes in a 12-in.-deep peripheral tray that contains nine other experiments from France. The FRECOPA box will protect the samples from contamination during the launch and reentry phases of the mission. The coefficients of thermal expansion are measured on Earth before and after space exposure.

Advanced High Temperature Polymer Matrix Composites for Gas Turbine Engines Program Expansion

NASA Technical Reports Server (NTRS)

Hanley, David; Carella, John

1999-01-01

This document, submitted by AlliedSignal Engines (AE), a division of AlliedSignal Aerospace Company, presents the program final report for the Advanced High Temperature Polymer Matrix Composites for Gas Turbine Engines Program Expansion in compliance with data requirements in the statement of work, Contract No. NAS3-97003. This document includes: 1 -Technical Summary: a) Component Design, b) Manufacturing Process Selection, c) Vendor Selection, and d) Testing Validation: 2-Program Conclusion and Perspective. Also, see the Appendix at the back of this report. This report covers the program accomplishments from December 1, 1996, to August 24, 1998. The Advanced High Temperature PMC's for Gas Turbine Engines Program Expansion was a one year long, five task technical effort aimed at designing, fabricating and testing a turbine engine component using NASA's high temperature resin system AMB-21. The fiber material chosen was graphite T650-35, 3K, 8HS with UC-309 sizing. The first four tasks included component design and manufacturing, process selection, vendor selection, component fabrication and validation testing. The final task involved monthly financial and technical reports.

Reinforced carbon fiber laminates with oriented carbon nanotube epoxy nanocomposites: Magnetic field assisted alignment and cryogenic temperature mechanical properties.

PubMed

He, Yuxin; Yang, Song; Liu, Hu; Shao, Qian; Chen, Qiuyu; Lu, Chang; Jiang, Yuanli; Liu, Chuntai; Guo, Zhanhu

2018-05-01

The epoxy nanocomposites with ordered multi-walled carbon nanotubes (MWCNTs) were used to influence the micro-cracks resistance of carbon fiber reinforced epoxy (CF/EP) laminate at 77 K, Oxidized MWCNTs functionalized with Fe 3 O 4 (Fe 3 O 4 /O-MWCNTs) with good magnetic properties were prepared by co-precipitation method and used to modify epoxy (EP) for cryogenic applications. Fe 3 O 4 /O-MWCNTs reinforced carbon fiber epoxy composites were also prepared through vacuum-assisted resin transfer molding (VARTM). The ordered Fe 3 O 4 /O-MWCNTs were observed to have effectively improved the mechanical properties of epoxy (EP) matrix at 77 K and reduce the coefficient of thermal expansion (CTE) of EP matrix. The ordered Fe 3 O 4 /O-MWCNTs also obviously improved the micro-cracks resistance of CF/EP composites at 77 K. Compared to neat EP, the CTE of ordered Fe 3 O 4 /O-MWCNTs modified CF/EP composites was decreased 37.6%. Compared to CF/EP composites, the micro-cracks density of ordered Fe 3 O 4 /O-MWCNTs modified CF/EP composites at 77 K was decreased 37.2%. Copyright © 2018 Elsevier Inc. All rights reserved.

Variational optimization algorithms for uniform matrix product states

NASA Astrophysics Data System (ADS)

Zauner-Stauber, V.; Vanderstraeten, L.; Fishman, M. T.; Verstraete, F.; Haegeman, J.

2018-01-01

We combine the density matrix renormalization group (DMRG) with matrix product state tangent space concepts to construct a variational algorithm for finding ground states of one-dimensional quantum lattices in the thermodynamic limit. A careful comparison of this variational uniform matrix product state algorithm (VUMPS) with infinite density matrix renormalization group (IDMRG) and with infinite time evolving block decimation (ITEBD) reveals substantial gains in convergence speed and precision. We also demonstrate that VUMPS works very efficiently for Hamiltonians with long-range interactions and also for the simulation of two-dimensional models on infinite cylinders. The new algorithm can be conveniently implemented as an extension of an already existing DMRG implementation.

Free-stream temperature, density, and pressure measurements in an expansion tube flow

NASA Technical Reports Server (NTRS)

Haggard, K. V.

1973-01-01

An experimental study was conducted to determine test-flow conditions in the Langley pilot model expansion tube. Measurements of temperature, density, wall pressure, pitot pressure, and shock and interface velocities were compared with theoretical calculations based on various models of the flow cycle. The vibrational temperature and integrated density of the molecular oxygen component of the flow were measured by use of vacuum ultraviolet absorption techniques. These measurements indicate both the presence and possible degree of nonequilibrium in the flow. Data are compared with several simplified models of the flow cycle, and data trends are discussed.

Effect of extrusion process parameters and pregelatinized rice flour on physicochemical properties of ready-to-eat expanded snacks.

PubMed

Gat, Yogesh; Ananthanarayan, Laxmi

2015-05-01

Present study was conducted to investigate effects of pregelatinized rice flour and extrusion process parameters such as feed moisture (16-19 %), die temperature (115-145 °C) and screw speed (150-250 rpm) on physicochemical properties of ready-to-eat expanded snacks by using co-rotating twin-screw extruder. Higher die temperature increased extrudate density and WSI but reduced die pressure, torque and expansion. Increased feed moisture content resulted in extrudates with increased density, WAI and hardness but reduced die pressure, expansion and WSI. Screw speed was found to have no significant effect on expansion and hardness of extrudates, while increase in screw speed resulted in increased WAI of extrudates and reduced torque of extrudates. Effect of pregelatinized rice flour on extrudate expansion and hardness was analysed at 16 % feed moisture, 135 °C die temperature and 150 rpm screw speed. Use of pregelatinized rice flour increased expansion while it reduced hardness of extrudates.

Multipotent Mesenchymal Stromal Stem Cell Expansion by Plating Whole Bone Marrow at a Low Cellular Density: A More Advantageous Method for Clinical Use

PubMed Central

Mareschi, Katia; Rustichelli, Deborah; Calabrese, Roberto; Gunetti, Monica; Sanavio, Fiorella; Castiglia, Sara; Risso, Alessandra; Ferrero, Ivana; Tarella, Corrado; Fagioli, Franca

2012-01-01

Mesenchymal stem cells (MSCs) are a promising source for cell therapy due to their pluripotency and immunomodulant proprieties. As the identification of “optimal” conditions is important to identify a standard procedure for clinical use. Percoll, Ficoll and whole bone marrow directly plated were tested from the same sample as separation methods. The cells were seeded at the following densities: 100 000, 10 000, 1000, 100, 10 cells/cm2. After reaching confluence, the cells were detached, pooled and re-plated at 1000, 500, 100, and 10 cells/cm2. Statistical analyses were performed. Cumulative Population Doublings (PD) did not show significant differences for the separation methods and seeding densities but only for the plating density. Some small quantity samples plated in T25 flasks at plating densities of 10 and 100 cells/cm2 did not produce any expansion. However, directly plated whole bone marrow resulted in a more advantageous method in terms of CFU-F number, cellular growth and minimal manipulation. No differences were observed in terms of gross morphology, differentiation potential or immunophenotype. These data suggest that plating whole bone marrow at a low cellular density may represent a good procedure for MSC expansion for clinical use. PMID:23715383

Dynamics of the spatial electron density distribution of EUV-induced plasmas

NASA Astrophysics Data System (ADS)

van der Horst, R. M.; Beckers, J.; Osorio, E. A.; Banine, V. Y.

2015-11-01

We studied the temporal evolution of the electron density distribution in a low pressure pulsed plasma induced by high energy extreme ultraviolet (EUV) photons using microwave cavity resonance spectroscopy (MCRS). In principle, MCRS only provides space averaged information about the electron density. However, we demonstrate here the possibility to obtain spatial information by combining multiple resonant modes. It is shown that EUV-induced plasmas, albeit being a rather exotic plasma, can be explained by known plasma physical laws and processes. Two stages of plasma behaviour are observed: first the electron density distribution contracts, after which it expands. It is shown that the contraction is due to cooling of the electrons. The moment when the density distribution starts to expand is related to the inertia of the ions. After tens of microseconds, the electrons reached the wall of the cavity. The speed of this expansion is dependent on the gas pressure and can be divided into two regimes. It is shown that the acoustic dominated regime the expansion speed is independent of the gas pressure and that in the diffusion dominated regime the expansion depends reciprocal on the gas pressure.

Low-density resin impregnated ceramic article and method for making the same

NASA Technical Reports Server (NTRS)

Tran, Huy K. (Inventor); Henline, William D. (Inventor); Hsu, Ming-ta S. (Inventor); Rasky, Daniel J. (Inventor); Riccitiello, Salvatore R. (Inventor)

1997-01-01

A low-density resin impregnated ceramic article advantageously employed as a structural ceramic ablator comprising a matrix of ceramic fibers. The fibers of the ceramic matrix are coated with an organic resin film. The organic resin can be a thermoplastic resin or a cured thermosetting resin. In one embodiment, the resin is uniformly distributed within the ceramic article. In a second embodiment, the resin is distributed so as to provide a density gradient along at least one direction of the ceramic article. The resin impregnated ceramic article is prepared by providing a matrix of ceramic fibers; immersing the matrix of ceramic fibers in a solution of a solvent and an organic resin infiltrant; and removing the solvent to form a resin film on the ceramic fibers.

Correlations and sum rules in a half-space for a quantum two-dimensional one-component plasma

NASA Astrophysics Data System (ADS)

Jancovici, B.; Šamaj, L.

2007-05-01

This paper is the continuation of a previous one (Šamaj and Jancovici, 2007 J. Stat. Mech. P02002); for a nearly classical quantum fluid in a half-space bounded by a plain plane hard wall (no image forces), we had generalized the Wigner Kirkwood expansion of the equilibrium statistical quantities in powers of Planck's constant \\hbar . As a model system for a more detailed study, we consider the quantum two-dimensional one-component plasma: a system of charged particles of one species, interacting through the logarithmic Coulomb potential in two dimensions, in a uniformly charged background of opposite sign, such that the total charge vanishes. The corresponding classical system is exactly solvable in a variety of geometries, including the present one of a half-plane, when βe2 = 2, where β is the inverse temperature and e is the charge of a particle: all the classical n-body densities are known. In the present paper, we have calculated the expansions of the quantum density profile and truncated two-body density up to order \\hbar ^2 (instead of only to order \\hbar as in the previous paper). These expansions involve the classical n-body densities up to n = 4; thus we obtain exact expressions for these quantum expansions in this special case. For the quantum one-component plasma, two sum rules involving the truncated two-body density (and, for one of them, the density profile) have been derived, a long time ago, by using heuristic macroscopic arguments: one sum rule concerns the asymptotic form along the wall of the truncated two-body density; the other one concerns the dipole moment of the structure factor. In the two-dimensional case at βe2 = 2, we now have explicit expressions up to order \\hbar^2 for these two quantum densities; thus we can microscopically check the sum rules at this order. The checks are positive, reinforcing the idea that the sum rules are correct.

A canonical state-space representation for SISO systems using multipoint Jordan CFE. [Continued-Fraction Expansion

NASA Technical Reports Server (NTRS)

Hwang, Chyi; Guo, Tong-Yi; Shieh, Leang-San

1991-01-01

A canonical state-space realization based on the multipoint Jordan continued-fraction expansion (CFE) is presented for single-input-single-output (SISO) systems. The similarity transformation matrix which relates the new canonical form to the phase-variable canonical form is also derived. The presented canonical state-space representation is particularly attractive for the application of SISO system theory in which a reduced-dimensional time-domain model is necessary.

Effect of reinforcement morphology on matrix microcracking

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

Sridhar, N.; Srolovitz, D.J.; Rickman, J.M.

1996-03-01

The authors quantitatively examine the conditions under which a particle matrix misfit leads to matrix crack growth as a function of inclusion shape. Such misfit stresses and cracks can be generated by thermal expansion mismatch, generated by cooling a brittle matrix containing ductile inclusions. Using fracture mechanics and perturbation theory, they analyze the case of a penny-shaped crack interacting with a misfitting spheroidal inclusion. A simple and direct relationship is established between the strain energy release rate and the physical and geometrical properties of the system including: the thermal expansion mismatch, temperature change, the crack and inclusion sizes, the elasticmore » properties of the medium and the shape of the inclusion. In particular, the effects of inclusion shape on the stress intensity factors and strain energy release rate are analytically determined for nearly spherical inclusions. The authors use this information to determine the minimum crack size for crack growth to occur and the maximum size to which cracks may grown. The maximum crack size corresponds to the case where the elastic strain energy released upon crack growth is no longer sufficient to compensate for energy expended in extending the crack as the crack is growing into the rapidly decreasing stress field. The authors employ a nominally exact numerical procedure to study the effects of whiskers and platelets (i.e. spheroids very different from spheres) on matrix cracking. It is found that upon cooling a composite containing ductile inclusions, the propensity for matrix cracking is maximized for reinforcement shapes close to that of a sphere.« less

Ceramic Matrix Composites: High Temperature Effects. (Latest Citations from the Aerospace Database)

NASA Technical Reports Server (NTRS)

1997-01-01

The bibliography contains citations concerning the development and testing of ceramic matrix composites for high temperature use. Tests examining effects of the high temperatures on bond strength, thermal degradation, oxidation, thermal stress, thermal fatigue, and thermal expansion properties are referenced. Applications of the composites include space structures, gas turbine and engine components, control surfaces for spacecraft and transatmospheric vehicles, heat shields, and heat exchangers.

Accumulation of worn-out GBM material substantially contributes to mesangial matrix expansion in diabetic nephropathy.

PubMed

Kriz, Wilhelm; Löwen, Jana; Federico, Giuseppina; van den Born, Jacob; Gröne, Elisabeth; Gröne, Hermann Josef

2017-06-01

Thickening of the glomerular basement membrane (GBM) and expansion of the mesangial matrix are hallmarks of diabetic nephropathy (DN), generally considered to emerge from different sites of overproduction: GBM components from podocytes and mesangial matrix from mesangial cells. Reevaluation of 918 biopsies with DN revealed strong evidence that these mechanisms are connected to each other, wherein excess GBM components fail to undergo degradation and are deposited in the mesangium. These data do not exclude that mesangial cells also synthesize components that contribute to the accumulation of matrix in the mesangium. Light, electron microscopic, immunofluorescence, and in situ hybridization studies clearly show that the thickening of the GBM is due not only to overproduction of components of the mature GBM (α3 and α5 chains of collagen IV and agrin) by podocytes but also to resumed increased synthesis of the α1 chain of collagen IV and of perlecan by endothelial cells usually seen during embryonic development. We hypothesize that these abnormal production mechanisms are caused by different processes: overproduction of mature GBM-components by the diabetic milieu and regression of endothelial cells to an embryonic production mode by decreased availability of mediators from podocytes. Copyright © 2017 the American Physiological Society.

Radiographic evaluation of vessel count and density with quantitative magnetic resonance imaging during external breast expansion in Asian women: A prospective clinical trial.

PubMed

Myung, Yujin; Kwon, Heeyeon; Pak, Changsik; Lee, Hobin; Jeong, Jae Hoon; Heo, Chan Yeong

2016-12-01

Breast augmentation with fat transfer does not bear the risks associated with silicone implantation. The method can potentially be especially useful in Asian women, who often reject augmentation mammoplasty with implants. This prospective clinical trial evaluated the effects of external breast expansion on breast density and vessel count using magnetic resonance imaging. Thirty-four enrolled patients were instructed to apply one of two devices, the conventional BRAVA device (used in the AESTES trial) or a novel external expansion device (EVERA) designed for Asian women, continuously for 8 h per day for 12 weeks. For external expansion, the pressure was set to 25 mmHg. Follow-up examinations were performed for 4 weeks after completion of the expansion. The ratio between the fibroglandular and adipose tissues of the breast was measured using T1-weighted MRI, and the number of vessels in the breast tissue was determined before and after the treatment by contrast MRI. Additionally, the volume of the breast was measured by laser scanning before, during, and after the device application. The obtained measurements were compared within and between the groups at different time points. Six patients dropped out, while 28 completed the trial without major side effects or adverse events. External expansion significantly increased breast vessel count in both the EVERA and AESTES groups (p = 0.019, p = 0.022). However, it did not significantly change breast density in either group (p = 0.186, p = 0.638). No significant intergroup differences were noted in vessel count (p = 0.874) or density (p = 0.482). Breast volume increases after 12 weeks of application were statistically significant in both groups, with mean changes of 81 ± 22 cc (AESTES) and 98 ± 30 cc (EVERA) (p < 0.001 in both cases). External expansion resulted in a marked increase in breast vessel count but did not affect breast density. The observed increase in breast volume can be considered substantial for Asian women. Level II, therapeutic study. Copyright © 2016 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Temperature-dependent tensile and shear response of graphite/aluminum

NASA Technical Reports Server (NTRS)

Fujita, T.; Pindera, M. J.; Herakovich, C. T.

1987-01-01

The thermo-mechanical response of unidirectional P100 graphite fiber/6061 aluminum matrix composites was investigated at four temperatures:-150, +75, +250, and +500 F. Two types of tests, off-axis tension and losipescu shear, were used to obtain the desired properties. Good experimental-theoretical correlation was obtained for Exx, vxy, and G12. It is shown that E11 is temperature independent, but E22, v12, and G12 generally decrease with increasing temperature. Compared with rather high longitudinal strength, very low transverse strength was obtained for the graphite/aluminum. The poor transverse strength is believed to be due to the low interfacial bond strength in this material. The strength decrease significantly with increasing temperature. The tensile response at various temperatures is greatly affected by the residual stresses caused by the mismatch in the coefficients of thermal expansion of fibers and matrix. The degradation of the aluminum matrix properties at higher temperatures has a deleterious effect on composite properties. The composite has a very low coefficient of thermal expansion in the fiber direction.

Preserving the Helmholtz dispersion relation: One-way acoustic wave propagation using matrix square roots

NASA Astrophysics Data System (ADS)

Keefe, Laurence

2016-11-01

Parabolized acoustic propagation in transversely inhomogeneous media is described by the operator update equation U (x , y , z + Δz) =eik0 (- 1 +√{ 1 + Z }) U (x , y , z) for evolution of the envelope of a wavetrain solution to the original Helmholtz equation. Here the operator, Z =∇T2 + (n2 - 1) , involves the transverse Laplacian and the refractive index distribution. Standard expansion techniques (on the assumption Z << 1)) produce pdes that approximate, to greater or lesser extent, the full dispersion relation of the original Helmholtz equation, except that none of them describe evanescent/damped waves without special modifications to the expansion coefficients. Alternatively, a discretization of both the envelope and the operator converts the operator update equation into a matrix multiply, and existing theorems on matrix functions demonstrate that the complete (discrete) Helmholtz dispersion relation, including evanescent/damped waves, is preserved by this discretization. Propagation-constant/damping-rates contour comparisons for the operator equation and various approximations demonstrate this point, and how poorly the lowest-order, textbook, parabolized equation describes propagation in lined ducts.

A Matrix Metalloproteinase Mediates Airway Remodeling in Drosophila

PubMed Central

Glasheen, Bernadette M.; Robbins, Renée M.; Piette, Caitlin; Beitel, Greg J.; Page-McCaw, Andrea

2010-01-01

Organ size typically increases dramatically during juvenile growth. This growth presents a fundamental tension, as organs need resiliency to resist stresses while still maintaining plasticity to accommodate growth. Extracellular matrix (ECM) is central to providing resiliency, but how ECM is remodeled to accommodate growth is poorly understood. We investigated remodeling of Drosophila respiratory tubes (tracheae) that elongate continually during larval growth, despite being lined with a rigid cuticular ECM. Cuticle is initially deposited with a characteristic pattern of repeating ridges and valleys known as taenidia. We find that for tubes to elongate, the extracellular protease Mmp1 is required for expansion of ECM between the taenidial ridges during each inter-molt period. Mmp1 protein localizes in periodically-spaced puncta that are in register with the taenidial spacing. Mmp1 also degrades old cuticle at molts, promotes apical membrane expansion in larval tracheae, and promotes tube elongation in embryonic tracheae. Whereas work in other developmental systems has demonstrated that MMPs are required for axial elongation occurring in localized growth zones, this study demonstrates that MMPs can also mediate interstitial matrix remodeling during growth of an organ system. PMID:20513443

Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

NASA Astrophysics Data System (ADS)

Ridder, Barbara; Foertsch, Tobias C.; Welle, Alexander; Mattes, Daniela S.; von Bojnicic-Kninski, Clemens M.; Loeffler, Felix F.; Nesterov-Mueller, Alexander; Meier, Michael A. R.; Breitling, Frank

2016-12-01

Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a ;solid; solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm2, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

Decay of correlations between cross-polarized electromagnetic waves in a two-dimensional random medium.

PubMed

Gorodnichev, E E

2018-04-01

The problem of multiple scattering of polarized light in a two-dimensional medium composed of fiberlike inhomogeneities is studied. The attenuation lengths for the density matrix elements are calculated. For a highly absorbing medium it is found that, as the sample thickness increases, the intensity of waves polarized along the fibers decays faster than the other density matrix elements. With further increase in the sample thickness, the off-diagonal elements which are responsible for correlations between the cross-polarized waves disappear. In the asymptotic limit of very thick samples the scattered light proves to be polarized perpendicular to the fibers. The difference in the attenuation lengths between the density matrix elements results in a nonmonotonic depth dependence of the degree of polarization. In the opposite case of a weakly absorbing medium, the off-diagonal element of the density matrix and, correspondingly, the correlations between the cross-polarized fields are shown to decay faster than the intensity of waves polarized along and perpendicular to the fibers.

Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data.

PubMed

Gueddida, Saber; Yan, Zeyin; Kibalin, Iurii; Voufack, Ariste Bolivard; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Gillon, Béatrice; Gillet, Jean-Michel

2018-04-28

In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO 3 ferromagnetic crystal. The spin-resolved one-electron-reduced density matrix is reconstructed simultaneously from theoretical magnetic structure factors and directional magnetic Compton profiles using our joint refinement algorithm. This algorithm is guided by the rescaling of basis functions and the adjustment of the spin population matrix. The resulting spin electron density in both position and momentum spaces from the joint refinement model is in agreement with theoretical and experimental results. Benefits brought from magnetic Compton profiles to the entire spin density matrix are illustrated. We studied the magnetic properties of the YTiO 3 crystal along the Ti-O 1 -Ti bonding. We found that the basis functions are mostly rescaled by means of magnetic Compton profiles, while the molecular occupation numbers are mainly modified by the magnetic structure factors.

Dynamics of diffusive bubble growth and pressure recovery in a bubbly rhyolitic melt embedded in an elastic solid

USGS Publications Warehouse

Chouet, Bernard A.; Dawson, Phillip B.; Nakano, Masaru

2006-01-01

We present a model of gas exsolution and bubble expansion in a melt supersaturated in response to a sudden pressure drop. In our model, the melt contains a suspension of gas bubbles of identical sizes and is encased in a penny-shaped crack embedded in an elastic solid. The suspension is modeled as a three-dimensional lattice of spherical cells with slight overlap, where each elementary cell consists of a gas bubble surrounded by a shell of volatile-rich melt. The melt is then subjected to a step drop in pressure, which induces gas exsolution and bubble expansion, resulting in the compression of the melt and volumetric expansion of the crack. The dynamics of diffusion-driven bubble growth and volumetric crack expansion span 9 decades in time. The model demonstrates that the speed of the crack response depends strongly on volatile diffusivity in the melt and bubble number density and is markedly sensitive to the ratio of crack thickness to crack radius and initial bubble radius but is relatively insensitive to melt viscosity. The net drop in gas concentration in the melt after pressure recovery represents only a small fraction of the initial concentration prior to the drop, suggesting the melt may undergo numerous pressure transients before becoming significantly depleted of gases. The magnitude of pressure and volume recovery in the crack depends sensitively on the size of the input-pressure transient, becoming relatively larger for smaller-size transients in a melt containing bubbles with initial radii less than 10-5 m. Amplification of the input transient may be large enough to disrupt the crack wall and induce brittle failure in the rock matrix surrounding the crack. Our results provide additional basis for the interpretation of volume changes in the magma conduit under Popocatépetl Volcano during Vulcanian degassing bursts in its eruptive activity in April–May 2000.

Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix.

PubMed

Nair, Nitish; Wentzel, Nathaniel; Jayaraman, Arthi

2011-05-21

In efforts to produce polymeric materials with tailored physical properties, significant interest has grown around the ability to control the spatial organization of nanoparticles in polymer nanocomposites. One way to achieve controlled particle arrangement is by grafting the nanoparticle surface with polymers that are compatible with the matrix, thus manipulating the interfacial interactions between the nanoparticles and the polymer matrix. Previous work has shown that the molecular weight of the grafted polymer, both at high grafting density and low grafting density, plays a key role in dictating the effective inter-particle interactions in a polymer matrix. At high grafting density nanoparticles disperse (aggregate) if the graft molecular weight is higher (lower) than the matrix molecular weight. At low grafting density the longer grafts can better shield the nanoparticle surface from direct particle-particle contacts than the shorter grafts and lead to the dispersion of the grafted particles in the matrix. Despite the importance of graft molecular weight, and evidence of non-trivial effects of polydispersity of chains grafted on flat surfaces, most theoretical work on polymer grafted nanoparticles has only focused on monodisperse grafted chains. In this paper, we focus on how bidispersity in grafted chain lengths affects the grafted chain conformations and inter-particle interactions in an implicit solvent and in a dense homopolymer polymer matrix. We first present the effects of bidispersity on grafted chain conformations in a single polymer grafted particle using purely Monte Carlo (MC) simulations. This is followed by calculations of the potential of mean force (PMF) between two grafted particles in a polymer matrix using a self-consistent Polymer Reference Interaction Site Model theory-Monte Carlo simulation approach. Monte Carlo simulations of a single polymer grafted particle in an implicit solvent show that in the bidisperse polymer grafted particles with an equal number of short and long grafts at low to medium grafting density, the short grafts are in a more coiled up conformation (lower radius of gyration) than their monodisperse counterparts to provide a larger free volume to the longer grafts so they can gain conformational entropy. The longer grafts do not show much difference in conformation from their monodisperse counterparts at low grafting density, but at medium grafting density the longer grafts exhibit less stretched conformations (lower radius of gyration) as compared to their monodisperse counterparts. In the presence of an explicit homopolymer matrix, the longer grafts are more compressed by the matrix homopolymer chains than the short grafts. We observe that the potential of mean force between bidisperse grafted particles has features of the PMF of monodisperse grafted particles with short grafts and monodisperse grafted particles with long grafts. The value of the PMF at contact is governed by the short grafts and values at large inter-particle distances are governed by the longer grafts. Further comparison of the PMF for bidisperse and monodisperse polymer grafted particles in a homopolymer matrix at varying parameters shows that the effects of matrix chain length, matrix packing fraction, grafting density, and particle curvature on the PMF between bidisperse polymer grafted particles are similar to those seen between monodisperse polymer grafted particles. © 2011 American Institute of Physics.

Entropy and caloric curve for mononuclei considering both surface diffuseness and self-similar expansion degrees of freedom

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

Sobotka, L.G.; Department of Physics, Washington University, St. Louis, Missouri 63130; Charity, R.J.

2006-01-15

The caloric curve for mononuclear configurations is studied with a model that allows for both increased surface diffusness and self-similar expansion. The evolution of the effective mass with density and excitation is included in a schematic fashion. The entropies, extracted in a local-density approximation, confirm that nuclei posess a soft mode that is predominately a surface expansion. We also find that the mononuclear caloric curve (temperature versus excitation energy) exhibits a plateau. Thus a plateau should be the expectation with or without a multifragmentationlike phase transition. This conclusion is relevant only for reactions that populate the mononuclear region of phasemore » space.« less

The time-dependent density matrix renormalisation group method

NASA Astrophysics Data System (ADS)

Ma, Haibo; Luo, Zhen; Yao, Yao

2018-04-01

Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.

Factorization of differential expansion for non-rectangular representations

NASA Astrophysics Data System (ADS)

Morozov, A.

2018-04-01

Factorization of the differential expansion (DE) coefficients for colored HOMFLY-PT polynomials of antiparallel double braids, originally discovered for rectangular representations R, in the case of rectangular representations R, is extended to the first non-rectangular representations R = [2, 1] and R = [3, 1]. This increases chances that such factorization will take place for generic R, thus fixing the shape of the DE. We illustrate the power of the method by conjecturing the DE-induced expression for double-braid polynomials for all R = [r, 1]. In variance with the rectangular case, the knowledge for double braids is not fully sufficient to deduce the exclusive Racah matrix S¯ — the entries in the sectors with nontrivial multiplicities sum up and remain unseparated. Still, a considerable piece of the matrix is extracted directly and its other elements can be found by solving the unitarity constraints.

Prediction of coefficients of thermal expansion for unidirectional composites

NASA Technical Reports Server (NTRS)

Bowles, David E.; Tompkins, Stephen S.

1989-01-01

Several analyses for predicting the longitudinal, alpha(1), and transverse, alpha(2), coefficients of thermal expansion of unidirectional composites were compared with each other, and with experimental data on different graphite fiber reinforced resin, metal, and ceramic matrix composites. Analytical and numerical analyses that accurately accounted for Poisson restraining effects in the transverse direction were in consistently better agreement with experimental data for alpha(2), than the less rigorous analyses. All of the analyses predicted similar values of alpha(1), and were in good agreement with the experimental data. A sensitivity analysis was conducted to determine the relative influence of constituent properties on the predicted values of alpha(1), and alpha(2). As would be expected, the prediction of alpha(1) was most sensitive to longitudinal fiber properties and the prediction of alpha(2) was most sensitive to matrix properties.

Thermal expansion behavior of graphite/glass and graphite/magnesium

NASA Technical Reports Server (NTRS)

Tompkins, Stephen S.; Ard, K. E.; Sharp, G. Richard

1986-01-01

The thermal expansion behavior of n (+/- 8)s graphite fiber reinforced magnesium laminate and four graphite reinforced glass-matrix laminates (a unidirectional laminate, a quasi-isotropic laminate, a symmetric low angle-ply laminate, and a random chopped-fiber mat laminate) was determined, and was found, in all cases, to not be significantly affected by thermal cycling. Specimens were cycled up to 100 times between -200 F and 100 F, and the thermal expansion coefficients determined for each material as a function of temperature were found to be low. Some dimensional changes as a function of thermal cycling, and some thermal-strain hysteresis, were observed.

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

Pratap, Surender; Sarkar, Niladri, E-mail: niladri@pilani.bits-pilani.ac.in

Self-Consistent Quantum Method using Schrodinger-Poisson equations have been used for determining the Channel electron density of Nano-Scale MOSFETs for 6nm and 9nm thick channels. The 6nm thick MOSFET show the peak of the electron density at the middle where as the 9nm thick MOSFET shows the accumulation of the electrons at the oxide/semiconductor interface. The electron density in the channel is obtained from the diagonal elements of the density matrix; [ρ]=[1/(1+exp(β(H − μ)))] A Tridiagonal Hamiltonian Matrix [H] is constructed for the oxide/channel/oxide 1D structure for the dual gate MOSFET. This structure is discretized and Finite-Difference method is used formore » constructing the matrix equation. The comparison of these results which are obtained by Quantum methods are done with Semi-Classical methods.« less

AUTO-EXPANSIVE FLOW

EPA Science Inventory

Physics suggests that the interplay of momentum, continuity, and geometry in outward radial flow must produce density and concomitant pressure reductions. In other words, this flow is intrinsically auto-expansive. It has been proposed that this process is the key to understanding...

Simple expression for the quantum Fisher information matrix

NASA Astrophysics Data System (ADS)

Šafránek, Dominik

2018-04-01

Quantum Fisher information matrix (QFIM) is a cornerstone of modern quantum metrology and quantum information geometry. Apart from optimal estimation, it finds applications in description of quantum speed limits, quantum criticality, quantum phase transitions, coherence, entanglement, and irreversibility. We derive a surprisingly simple formula for this quantity, which, unlike previously known general expression, does not require diagonalization of the density matrix, and is provably at least as efficient. With a minor modification, this formula can be used to compute QFIM for any finite-dimensional density matrix. Because of its simplicity, it could also shed more light on the quantum information geometry in general.

Physical evaluation of a maize-based extruded snack with curry powder.

PubMed

Christofides, Vassilis; Ainsworth, Paul; Ibanoğlu, Senol; Gomes, Frances

2004-02-01

Response surface methodology was used to analyze the effect of screw speed (200-280 rpm), feed moisture (13.0-17.0%, wet basis), and curry powder (6.0-9.0%) on the bulk density, lateral expansion, and firmness of maize-based extruded snack with curry powder. Regression equations describing the effect of each variable on the responses were obtained. Responses were most affected by changes in feed moisture followed by screw speed and curry powder (p < 0.05). Lateral expansion increased linearly as the amount of curry powder added was increased whereas a quadratic increase was obtained in lateral expansion with decreasing feed moisture. The firmness of samples was increased with an increase in feed moisture. The bulk density of samples was increased with increasing feed moisture and screw speeds. Radial expansion was found to be a better index to measure the physical properties of the extruded product indicated by a higher correlation coefficient.

Role of cells in freezing-induced cell-fluid-matrix interactions within engineered tissues.

PubMed

Seawright, Angela; Ozcelikkale, Altug; Dutton, Craig; Han, Bumsoo

2013-09-01

During cryopreservation, ice forms in the extracellular space resulting in freezing-induced deformation of the tissue, which can be detrimental to the extracellular matrix (ECM) microstructure. Meanwhile, cells dehydrate through an osmotically driven process as the intracellular water is transported to the extracellular space, increasing the volume of fluid for freezing. Therefore, this study examines the effects of cellular presence on tissue deformation and investigates the significance of intracellular water transport and cell-ECM interactions in freezing-induced cell-fluid-matrix interactions. Freezing-induced deformation characteristics were examined through cell image deformetry (CID) measurements of collagenous engineered tissues embedded with different concentrations of MCF7 breast cancer cells versus microspheres as their osmotically inactive counterparts. Additionally, the development of a biophysical model relates the freezing-induced expansion of the tissue due to the cellular water transport and the extracellular freezing thermodynamics for further verification. The magnitude of the freezing-induced dilatation was found to be not affected by the cellular water transport for the cell concentrations considered; however, the deformation patterns for different cell concentrations were different suggesting that cell-matrix interactions may have an effect. It was, therefore, determined that intracellular water transport during freezing was insignificant at the current experimental cell concentrations; however, it may be significant at concentrations similar to native tissue. Finally, the cell-matrix interactions provided mechanical support on the ECM to minimize the expansion regions in the tissues during freezing.

Modulation of chondrogenic differentiation of human mesenchymal stem cells in jellyfish collagen scaffolds by cell density and culture medium.

PubMed

Pustlauk, W; Paul, B; Brueggemeier, S; Gelinsky, M; Bernhardt, A

2017-06-01

Studies on tissue-engineering approaches for the regeneration of traumatized cartilage focus increasingly on multipotent human mesenchymal stem cells (hMSCs) as an alternative to autologous chondrocytes. The present study applied porous scaffolds made of collagen from the jellyfish Rhopilema esculentum for the in vitro chondrogenic differentiation of hMSCs. Culture conditions in those scaffolds differ from conditions in high-density pellet cultures, making a re-examination of these data necessary. We systematically investigated the influence of seeding density, basic culture media [Dulbecco's modified Eagle's medium (DMEM), α-minimum essential medium (α-MEM)] with varying glucose content and supplementation with fetal calf serum (FCS) or bovine serum albumin (BSA) on the chondrogenic differentiation of hMSCs. Gene expression analyses of selected markers for chondrogenic differentiation and hypertrophic development were conducted. Furthermore, the production of cartilage extracellular matrix (ECM) was analysed by quantification of sulphated glycosaminoglycan and collagen type II contents. The strongest upregulation of chondrogenic markers, along with the highest ECM deposition was observed in scaffolds seeded with 2.4 × 10 6 cells/cm 3 after cultivation in high-glucose DMEM and 0.125% BSA. Lower seeding densities compared to high-density pellet cultures were sufficient to induce in vitro chondrogenic differentiation of hMSCs in collagen scaffolds, which reduces the amount of cells required for the seeding of scaffolds and thus the monolayer expansion period. Furthermore, examination of the impact of FCS and α-MEM on chondrogenic MSC differentiation is an important prerequisite for the development of an osteochondral medium for simultaneous osteogenic and chondrogenic differentiation in biphasic scaffolds for osteochondral tissue regeneration. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Computer simulation of the matrix-inclusion interphase in bulk metallic glass based nanocomposites

NASA Astrophysics Data System (ADS)

Kokotin, V.; Hermann, H.; Eckert, J.

2011-10-01

Atomistic models for matrix-inclusion systems are generated. Analyses of the systems show that interphase layers of finite thickness appear interlinking the surface of the nanocrystalline inclusion and the embedding amorphous matrix. In a first approximation, the interphase is characterized as an amorphous structure with a density slightly reduced compared to that of the matrix. This result holds for both monatomic hard sphere systems and a Cu47.5Zr47.5Al5 alloy simulated by molecular dynamics (MD). The elastic shear and bulk modulus of the interphase are calculated by simulated deformation of the MD systems. Both moduli diminish with decreasing density but the shear modulus is more sensitive against density reduction by one order of magnitude. This result explains recent observations of shear band initiation at the amorphous-crystalline interface during plastic deformation.

Multivariate Granger causality: an estimation framework based on factorization of the spectral density matrix

PubMed Central

Wen, Xiaotong; Rangarajan, Govindan; Ding, Mingzhou

2013-01-01

Granger causality is increasingly being applied to multi-electrode neurophysiological and functional imaging data to characterize directional interactions between neurons and brain regions. For a multivariate dataset, one might be interested in different subsets of the recorded neurons or brain regions. According to the current estimation framework, for each subset, one conducts a separate autoregressive model fitting process, introducing the potential for unwanted variability and uncertainty. In this paper, we propose a multivariate framework for estimating Granger causality. It is based on spectral density matrix factorization and offers the advantage that the estimation of such a matrix needs to be done only once for the entire multivariate dataset. For any subset of recorded data, Granger causality can be calculated through factorizing the appropriate submatrix of the overall spectral density matrix. PMID:23858479

Rank-based decompositions of morphological templates.

PubMed

Sussner, P; Ritter, G X

2000-01-01

Methods for matrix decomposition have found numerous applications in image processing, in particular for the problem of template decomposition. Since existing matrix decomposition techniques are mainly concerned with the linear domain, we consider it timely to investigate matrix decomposition techniques in the nonlinear domain with applications in image processing. The mathematical basis for these investigations is the new theory of rank within minimax algebra. Thus far, only minimax decompositions of rank 1 and rank 2 matrices into outer product expansions are known to the image processing community. We derive a heuristic algorithm for the decomposition of matrices having arbitrary rank.

High temperature refractory of MgCr.sub.2 O.sub.4 matrix and unstabilized ZrO.sub.2 particles

DOEpatents

Singh, Jitendra P.; James, Jawana J.; Picciolo, John J.

1987-01-01

A high chromia refractory composite has been developed with improved thermal shock resistance and containing about 5-30 wt. % of unstabilized ZrO.sub.2 having a temperature-dependent phase change resulting in large expansion mismatch between the ZrO.sub.2 and the chromia matrix which causes microcracks to form during cooling in the high chromia matrix. The particle size preferably is primarily between about 0.6-5 microns and particularly below about 3 microns with an average size in the order of 1.2-1.8 microns.

Effect of space exposure of some epoxy matrix composites on their thermal expansion and mechanical properties (AO 138-8)

NASA Technical Reports Server (NTRS)

Jabs, Heinrich

1991-01-01

The experiment objectives are: to detect a variation of the coefficient of thermal expansion (CTE) of composite samples; to detect an evolution of mechanical properties; to compare the behavior of two epoxy resins. The CTE is measured by interferometric method in a vacuum chamber. The following mechanical tests are achieved on the samples: interlaminar shear strength; flexural strength; flatwise tensile strength. The results are reported.

Phase-Transformation-Induced Extra Thermal Expansion Behavior of (SrxBa1–x)TiO3/Cu Composite

PubMed Central

Sheng, Jie; Wang, Lidong; Li, Shouwei; Yin, Benke; Liu, Xiangli; Fei, Wei-Dong

2016-01-01

The properties of metal matrix composites (MMCs) can be optimized effectively through adjusting the type or the volume fraction of reinforcement. Generally, the coefficient of thermal expansion (CTE) of MMCs can be reduced by increasing the volume fraction of the reinforcement with lower CTE than metal matrix. However, it is great challenge to fabricate low CTE MMCs with low reinforcement volume fraction because of the limitation of reinforcement CTEs. SrxBa1−xTiO3 (SBT) powder presents negative thermal expansion behavior during the phase transformation from tetragonal to cubic phase. Here, we demonstrate that the phase transformation of SBT can be utilized to reduce and design the thermal expansion properties of SBT particle-reinforced Cu (SBT/Cu) composite, and ultralow CTE can be obtained in SBT/Cu composite. The X-ray diffraction analysis on heating indicates that the temperature range of phase transformation is extended greatly, therefore, the low CTE can be achieved within wide temperature range. Landau-Devonshire theory study on the phase transformation behaviors of SBT particles in the composite indicates that thermal mismatch stress significantly affects the Curie temperature of SBT particles and the CTE of the composite. The results given in the present study provide a new approach to design the MMCs with low CTE. PMID:27255420

Strain-Rate Dependence of Deformation-Twinning in Tantalum

NASA Astrophysics Data System (ADS)

Abeywardhana, Jayalath; Germann, Tim; Ravelo, Ramon

2017-06-01

Large-Scale molecular dynamics (MD) simulations are used to model quasi-isentropic compression and expansion (QIC) in tantalum crystals varying the rate of deformation between the range 108 -1012s-1 and compressive pressures up to 100 GPa. The atomic interactions were modeled employing an embedded-atom method (EAM) potential of Ta. Isentropic expansion was done employing samples initially compressed to pressures of 60 and 100 GPa followed by uniaxial and quasi-isentropically expansion to zero pressure. The effect of initial dislocation density on twinning was also examined by varying the initial defect density of the Ta samples (1010 -1012cm-2). At these high-strain rates, a threshold in strain-rate on deformation twining is observed. Under expansion or compression, deformation twinning increases with strain rate for strain-rates >109s-1 . Below this value, small fraction of twins nucleates but anneal out with time. Samples with lower fraction of twins equilibrate to defect states containing higher screw dislocation densities from those with initially higher twinning fractions. This work was supported by the Department of Energy under contract DE-AC52-06NA25396 and by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-12-1-0476.

The relative contributions of forest growth and areal expansion to forest biomass carbon

Treesearch

P. Li; J. Zhu; H. Hu; Z. Guo; Y. Pan; R. Birdsey; J. Fang

2016-01-01

Forests play a leading role in regional and global terrestrial carbon (C) cycles. Changes in C sequestration within forests can be attributed to areal expansion (increase in forest area) and forest growth (increase in biomass density). Detailed assessment of the relative contributions of areal expansion and forest growth to C sinks is crucial to reveal the mechanisms...

Range expansion promotes cooperation in an experimental microbial metapopulation

PubMed Central

Datta, Manoshi Sen; Korolev, Kirill S.; Cvijovic, Ivana; Dudley, Carmel; Gore, Jeff

2013-01-01

Natural populations throughout the tree of life undergo range expansions in response to changes in the environment. Recent theoretical work suggests that range expansions can have a strong effect on evolution, even leading to the fixation of deleterious alleles that would normally be outcompeted in the absence of migration. However, little is known about how range expansions might influence alleles under frequency- or density-dependent selection. Moreover, there is very little experimental evidence to complement existing theory, since expanding populations are difficult to study in the natural environment. In this study, we have used a yeast experimental system to explore the effect of range expansions on the maintenance of cooperative behaviors, which commonly display frequency- and density-dependent selection and are widespread in nature. We found that range expansions favor the maintenance of cooperation in two ways: (i) through the enrichment of cooperators at the front of the expanding population and (ii) by allowing cooperators to “outrun” an invading wave of defectors. In this system, cooperation is enhanced through the coupling of population ecology and evolutionary dynamics in expanding populations, thus providing experimental evidence for a unique mechanism through which cooperative behaviors could be maintained in nature. PMID:23569263

Investigation of the on-axis atom number density in the supersonic gas jet under high gas backing pressure by simulation

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

Chen, Guanglong; Xu, Yi; Cao, Yunjiu

The supersonic gas jets from conical nozzles are simulated using 2D model. The on-axis atom number density in gas jet is investigated in detail by comparing the simulated densities with the idealized densities of straight streamline model in scaling laws. It is found that the density is generally lower than the idealized one and the deviation between them is mainly dependent on the opening angle of conical nozzle, the nozzle length and the gas backing pressure. The density deviation is then used to discuss the deviation of the equivalent diameter of a conical nozzle from the idealized d{sub eq} inmore » scaling laws. The investigation on the lateral expansion of gas jet indicates the lateral expansion could be responsible for the behavior of the density deviation. These results could be useful for the estimation of cluster size and the understanding of experimental results in laser-cluster interaction experiments.« less

Simple Derivation of the Lindblad Equation

ERIC Educational Resources Information Center

Pearle, Philip

2012-01-01

The Lindblad equation is an evolution equation for the density matrix in quantum theory. It is the general linear, Markovian, form which ensures that the density matrix is Hermitian, trace 1, positive and completely positive. Some elementary examples of the Lindblad equation are given. The derivation of the Lindblad equation presented here is…

Influence of residual plasma drift velocity on the post-arc sheath expansion of vacuum circuit breakers

NASA Astrophysics Data System (ADS)

Mo, Yongpeng; Shi, Zongqian; Bai, Zhibin; Jia, Shenli; Wang, Lijun

2016-05-01

The residual plasma in the inter-contact region of a vacuum circuit breaker moves towards the post-arc cathode at current zero, because the residual plasma mainly comes from the cathode spots during the arc burning process. In the most previous theoretical researches on the post-arc sheath expansion process of vacuum circuit breakers, only the thermal motion of residual plasma was taken into consideration. Alternately, the residual plasma was even assumed to be static at the moment of current zero in some simplified models. However, the influence of residual plasma drift velocity at current zero on the post-arc sheath expansion process was rarely investigated. In this paper, this effect is investigated by a one-dimensional particle-in-cell model. Simulation results indicate that the sheath expands slower with higher residual plasma drift velocity in the initial sheath expansion stage. However, with the increase of residual plasma drift velocity, the overall plasma density in the inter-contact region decreases faster, and the sheath expansion velocity increases earlier. Consequently, as a whole, it needs shorter time to expel the residual plasma from the inter-contact region. Furthermore, if the residual plasma drift velocity is high enough, the sheath expansion process ceases before it develops to the post-arc anode. Besides, the influence of the collisions between charges and neutrals is investigated as well in terms of the density of metal vapor. It shows that the residual plasma drift velocity takes remarkable effect only if the density of the metal vapor is relatively low, which corresponds to the circumstance of low-current interruptions.

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

Bruce S. Kang

The objective of this project was to understand and improve high-temperature structural properties of metal-silicide intermetallic alloys. Through research collaboration between the research team at West Virginia University (WVU) and Dr. J.H. Schneibel at Oak Ridge National Laboratory (ORNL), molybdenum silicide alloys were developed at ORNL and evaluated at WVU through atomistic modeling analyses, thermo-mechanical tests, and metallurgical studies. In this study, molybdenum-based alloys were ductilized by dispersing MgAl2O4 or MgO spinel particles. The addition of spinel particles is hypothesized to getter impurities such as oxygen and nitrogen from the alloy matrix with the result of ductility improvement. The introductionmore » of fine dispersions has also been postulated to improve ductility by acting as a dislocation source or reducing dislocation pile-ups at grain boundaries. The spinel particles, on the other hand, can also act as local notches or crack initiation sites, which is detrimental to the alloy mechanical properties. Optimization of material processing condition is important to develop the desirable molybdenum alloys with sufficient room-temperature ductility. Atomistic analyses were conducted to further understand the mechanism of ductility improvement of the molybdenum alloys and the results showed that trace amount of residual oxygen may be responsible for the brittle behavior of the as-cast Mo alloys. For the alloys studied, uniaxial tensile tests were conducted at different loading rates, and at room and elevated temperatures. Thermal cycling effect on the mechanical properties was also studied. Tensile tests for specimens subjected to either ten or twenty thermal cycles were conducted. For each test, a follow-up detailed fractography and microstructural analysis were carried out. The test results were correlated to the size, density, distribution of the spinel particles and processing time. Thermal expansion tests were carried out using thermo-mechanical analyzer (TMA). Results showed that the coefficient of thermal expansion (CTE) value decreases with the addition of spinel and silicide particles. Thermo-cycling tests showed that molybdenum alloy with 6% wt of spinel (MgAl2O4) developed microcracks which were caused by thermal expansion mismatch between the spinel particles and molybdenum matrix, as well as the processing conditions. Detailed post-mortem studies of microstructures and segregation of impurities to the oxide dispersion/Mo interfaces were conducted using x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS).« less

Exact mean-energy expansion of Ginibre's gas for coupling constants Γ =2 ×(oddinteger)

NASA Astrophysics Data System (ADS)

Salazar, R.; Téllez, G.

2017-12-01

Using the approach of a Vandermonde determinant to the power Γ =Q2/kBT expansion on monomial functions, a way to find the excess energy Uexc of the two-dimensional one-component plasma (2DOCP) on hard and soft disks (or a Dyson gas) for odd values of Γ /2 is provided. At Γ =2 , the present study not only corroborates the result for the particle-particle energy contribution of the Dyson gas found by Shakirov [Shakirov, Phys. Lett. A 375, 984 (2011), 10.1016/j.physleta.2011.01.004] by using an alternative approach, but also provides the exact N -finite expansion of the excess energy of the 2DOCP on the hard disk. The excess energy is fitted to the ansatz of the form Uexc=K1N +K2√{N }+K3+K4/N +O (1 /N2) to study the finite-size correction, with Ki coefficients and N the number of particles. In particular, the bulk term of the excess energy is in agreement with the well known result of Jancovici for the hard disk in the thermodynamic limit [Jancovici, Phys. Rev. Lett. 46, 386 (1981), 10.1103/PhysRevLett.46.386]. Finally, an expression is found for the pair correlation function which still keeps a link with the random matrix theory via the kernel in the Ginibre ensemble [Ginibre, J. Math. Phys. 6, 440 (1965), 10.1063/1.1704292] for odd values of Γ /2 . A comparison between the analytical two-body density function and histograms obtained with Monte Carlo simulations for small systems and Γ =2 ,6 ,10 ,... shows that the approach described in this paper may be used to study analytically the crossover behavior from systems in the fluid phase to small crystals.

Hydrodynamic description of an unmagnetized plasma with multiple ion species. I. General formulation

DOE PAGES

Simakov, Andrei Nikolaevich; Molvig, Kim

2016-03-17

A generalization of the Braginskii ion fluid description [S. I. Braginskii, Sov. Phys. JETP 6, 358 (1958)] to the case of an unmagnetized collisional plasma with multiple ion species is presented. An asymptotic expansion in the ion Knudsen number is used to derive the individual ion species continuity, as well as the total ion mass density, momentum, and energy evolution equations accurate through the second order. Expressions for the individual ion species drift velocities with respect to the center of mass reference frame, as well as for the total ion heat flux and viscosity, which are required to close themore » fluid equations, are evaluated in terms of the first-order corrections to the lowest order Maxwellian ion velocity distribution functions. A variational formulation for evaluating such corrections and its relation to the plasma entropy are presented. Employing trial functions for the corrections, written in terms of expansions in generalized Laguerre polynomials, and maximizing the resulting functionals produces two systems of linear equations (for “vector” and “tensor” portions of the corrections) for the expansion coefficients. A general matrix formulation of the linear systems as well as expressions for the resulting transport fluxes are presented in forms convenient for numerical implementation. The general formulation is employed in the companion paper [A. N. Simakov and K. Molvig, Hydrodynamic description of an unmagnetized plasma with multiple ion species. II. Two and three ion species plasmas, submitted to Phys. Plasmas (2015)] to evaluate the individual ion drift velocities and the total ion heat flux and viscosity for specific cases of two and three ion species plasmas.« less

Thermal-Stress Reducer For Metal/Composite Joint

NASA Technical Reports Server (NTRS)

Glinski, Robert L.

1993-01-01

Simple insert called "thermal link" reduces stresses caused by mismatches between thermal expansions of metal part and nonmetallic part made of fiber/matrix composite material. Link conceived for use in casing of advanced jet engine.

Methodology for Producing a Uniform Distribution of UO2 in a Tungsten Matrix

NASA Technical Reports Server (NTRS)

Tucker, Dennis S.; O'Conner, Andrew; Hickman, Rickman; Broadway, Jeramie; Belancik, Grace

2015-01-01

Current work at NASA's Marshall Space Flight Center (MSFC) is focused on the development CERMET fuel materials for Nuclear Thermal Propulsion (NTP). The CERMETs consist of uranium dioxide (UO2) fuel particles embedded in a tungsten (W) metal matrix. Initial testing of W-UO2 samples fabricated from fine angular powders performed reasonably well, but suffered from significant fuel loss during repeated thermal cycling due to agglomeration of the UO2 (1). The blended powder mixtures resulted in a non-uniform dispersion of the UO2 particles in the tungsten matrix, which allows rapid vaporization of the interconnected UO2 from the sample edges into the bulk material. Also, the angular powders create areas of stress concentrations due to thermal expansion mismatch, which eventually cracks the tungsten matrix. Evenly coating spherical UO2 particles with chemical vapor deposited (CVD) tungsten prior to consolidation was previously demonstrated to provide improved performance. However, the CVD processing technology is expensive and not currently available. In order to reduce cost and enhance performance, a powder coating process has been developed at MSFC to produce a uniform distribution of the spherical UO2 particles in a tungsten matrix. The method involves utilization of a polyethylene binder during mixing which leads to fine tungsten powders clinging to the larger UO2 spherical particles. This process was developed using HfO2 as a surrogate for UO2. Enough powder was mixed to make 8 discs (2cm diameter x 8mm thickness) using spark plasma sintering. A uniaxial pressure of 50 MPa was used at four different temperatures (2 samples at each temperature). The first two samples were heated to 1400C and 1500C respectively for 5 minutes. Densities for these samples were less than 85% of theoretical, so the time at temperature was increased to 20 minutes for the remaining samples. The highest densities were achieved for the two samples sintered at 1700C (approx. 92% of theoretical). Scanning electron microscopy (SEM) of the mixed powders and the sintered samples along with energy dispersive x-ray analysis was obtained. The SEM of the powders clearly show the fine W powder adhered to the larger HfO2 particles and a uniform distribution of HfO2 particles in a tungsten matrix upon densification. Vicker's Microhardness testing was also performed on all samples using 0.5, 1.0 and 2.0 kg loads. Five indents were made at each load level. All indents were placed in the tungsten matrix to assist as a proxy in measuring densification. The highest hardness value was obtained for the 1700C specimens. The hardness average for these samples was 312.14 MPa. This powder processing method has been applied to W/UO2 powders with the SEM of the powders appearing similar to the W/HfO2 powder images.

Massively parallel sparse matrix function calculations with NTPoly

NASA Astrophysics Data System (ADS)

Dawson, William; Nakajima, Takahito

2018-04-01

We present NTPoly, a massively parallel library for computing the functions of sparse, symmetric matrices. The theory of matrix functions is a well developed framework with a wide range of applications including differential equations, graph theory, and electronic structure calculations. One particularly important application area is diagonalization free methods in quantum chemistry. When the input and output of the matrix function are sparse, methods based on polynomial expansions can be used to compute matrix functions in linear time. We present a library based on these methods that can compute a variety of matrix functions. Distributed memory parallelization is based on a communication avoiding sparse matrix multiplication algorithm. OpenMP task parallellization is utilized to implement hybrid parallelization. We describe NTPoly's interface and show how it can be integrated with programs written in many different programming languages. We demonstrate the merits of NTPoly by performing large scale calculations on the K computer.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

NASA Astrophysics Data System (ADS)

Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R.

2016-07-01

Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.

PubMed

Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R

2016-07-07

Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

One-dimensional continuum electronic structure with the density-matrix renormalization group and its implications for density-functional theory.

PubMed

Stoudenmire, E M; Wagner, Lucas O; White, Steven R; Burke, Kieron

2012-08-03

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. The method can be used to simulate 1D cold atom systems and to study density-functional theory in an exact setting. To illustrate, we find an interacting, extended system which is an insulator but whose Kohn-Sham system is metallic.

Role of ion magnetization in formation of radial density profile in magnetically expanding plasma produced by helicon antenna

NASA Astrophysics Data System (ADS)

Yadav, Sonu; Ghosh, Soumen; Bose, Sayak; Barada, Kshitish K.; Pal, Rabindranath; Chattopadhyay, Prabal K.

2018-04-01

Experimentally, the density profile in the magnetic nozzle of a helicon antenna based plasma device is seen to be modified from being centrally peaked to that of hollow nature as the external magnetic field is increased. It occurs above a characteristic field value when the ions become magnetized in the expansion chamber. The density profile in the source chamber behind the nozzle, however, remains peaked on-axis irrespective of the magnetic field. The electron temperature there is observed to be hollow and this nature is carried to the expansion chamber along the field line. In the electron energy distribution near the off axis peak location, a high energy tail exists. Rotation of these tail electrons in the azimuthal direction due to the gradient-B drift in the expansion chamber leads to an additional off-axis ionization and forms the hollow density profile. It seems that if the ions are not magnetized, then the off-axially produced additional plasma is not confined and the density profile retains the on-axis peak nature. The present experiment successfully demonstrates how the knowledge of the ion magnetization together with tail electrons significantly contributes to the design of an efficient helicon plasma based thruster.

Collisionless coupling of a high- β expansion to an ambient, magnetized plasma. I. Rayleigh model and scaling

NASA Astrophysics Data System (ADS)

Bonde, Jeffrey

2018-04-01

The dynamics of a magnetized, expanding plasma with a high ratio of kinetic energy density to ambient magnetic field energy density, or β, are examined by adapting a model of gaseous bubbles expanding in liquids as developed by Lord Rayleigh. New features include scale magnitudes and evolution of the electric fields in the system. The collisionless coupling between the expanding and ambient plasma due to these fields is described as well as the relevant scaling relations. Several different responses of the ambient plasma to the expansion are identified in this model, and for most laboratory experiments, ambient ions should be pulled inward, against the expansion due to the dominance of the electrostatic field.

Neural network based feed-forward high density associative memory

NASA Technical Reports Server (NTRS)

Daud, T.; Moopenn, A.; Lamb, J. L.; Ramesham, R.; Thakoor, A. P.

1987-01-01

A novel thin film approach to neural-network-based high-density associative memory is described. The information is stored locally in a memory matrix of passive, nonvolatile, binary connection elements with a potential to achieve a storage density of 10 to the 9th bits/sq cm. Microswitches based on memory switching in thin film hydrogenated amorphous silicon, and alternatively in manganese oxide, have been used as programmable read-only memory elements. Low-energy switching has been ascertained in both these materials. Fabrication and testing of memory matrix is described. High-speed associative recall approaching 10 to the 7th bits/sec and high storage capacity in such a connection matrix memory system is also described.

Solvent-induced dimensional changes in EDTA-demineralized dentin matrix.

PubMed

Pashley, D H; Agee, K A; Nakajima, M; Tay, F R; Carvalho, R M; Terada, R S; Harmon, F J; Lee, W K; Rueggeberg, F A

2001-08-01

The purpose of this study was to test the null hypothesis that the re-expansion of dried matrix and the shrinkage of moist, demineralized dentin is not influenced by polar solvents. Dentin disks were prepared from midcoronal dentin of extracted human third molars. After complete demineralization in 0.5M of EDTA (pH 7), the specimens were placed in the well of a device that measures changes in matrix height in real time. Dry, collapsed matrices were created by blowing dry N(2) on the specimens until they shrank to a stable plateau. Polar solvents [water, methanol, ethanol, n-propanol, n-butanol, formamide, ethylene glycol, hydroxyethyl methacrylate (HEMA), or mixtures of water-HEMA] as model primers then were added and the degree of re-expansion measured. These same solvents also were applied to moist, expanded matrices and the solvent-induced shrinkages measured. Regression analysis was used to test the correlations between matrix height and Hansen's dispersive, polar, hydrogen bonding, and total solubility parameters (delta(d), delta(p), delta(h), delta(t)). The results indicate that water-free polar solvents of low hydrogen bonding (H-bond) ability (e.g., neat HEMA) do not re-expand dried matrices and that they shrink moist matrices. When HEMA was mixed with progressively higher water concentrations, the model water-HEMA primers expanded the dried matrix in proportion to their water concentrations and they produced less shrinkage of moist matrices. Solvents with higher H-bonding capacities (methanol, ethanol, ethylene glycol, formamide, and water) re-expanded the dried matrix in proportion to their solubility parameters for H-bonding (delta(h)). They also induced small transient shrinkages of moist matrices, which slowly re-expanded. The results require rejection of the null hypothesis. Copyright 2001 John Wiley & Sons, Inc. J Biomed Mater Res 56: 273-281, 2001

Engine materials characterization and damage monitoring by using x ray technologies

NASA Technical Reports Server (NTRS)

Baaklini, George Y.

1993-01-01

X ray attenuation measurement systems that are capable of characterizing density variations in monolithic ceramics and damage due to processing and/or mechanical testing in ceramic and intermetallic matrix composites are developed and applied. Noninvasive monitoring of damage accumulation and failure sequences in ceramic matrix composites is used during room-temperature tensile testing. This work resulted in the development of a point-scan digital radiography system and an in situ x ray material testing system. The former is used to characterize silicon carbide and silicon nitride specimens, and the latter is used to image the failure behavior of silicon-carbide-fiber-reinforced, reaction-bonded silicon nitride matrix composites. State-of-the-art x ray computed tomography is investigated to determine its capabilities and limitations in characterizing density variations of subscale engine components (e.g., a silicon carbide rotor, a silicon nitride blade, and a silicon-carbide-fiber-reinforced beta titanium matrix rod, rotor, and ring). Microfocus radiography, conventional radiography, scanning acoustic microscopy, and metallography are used to substantiate the x ray computed tomography findings. Point-scan digital radiography is a viable technique for characterizing density variations in monolithic ceramic specimens. But it is very limited and time consuming in characterizing ceramic matrix composites. Precise x ray attenuation measurements, reflecting minute density variations, are achieved by photon counting and by using microcollimators at the source and the detector. X ray computed tomography is found to be a unique x ray attenuation measurement technique capable of providing cross-sectional spatial density information in monolithic ceramics and metal matrix composites. X ray computed tomography is proven to accelerate generic composite component development. Radiographic evaluation before, during, and after loading shows the effect of preexisting volume flaws on the fracture behavior of composites. Results from one-, three-, five-, and eight-ply ceramic composite specimens show that x ray film radiography can monitor damage accumulation during tensile loading. Matrix cracking, fiber-matrix debonding, fiber bridging, and fiber pullout are imaged throughout the tensile loading of the specimens. In situ film radiography is found to be a practical technique for estimating interfacial shear strength between the silicon carbide fibers and the reaction-bonded silicon nitride matrix. It is concluded that pretest, in situ, and post-test x ray imaging can provide greater understanding of ceramic matrix composite mechanical behavior.

Electrolyte matrix for molten carbonate fuel cells

DOEpatents

Huang, C.M.; Yuh, C.Y.

1999-02-09

A matrix is described for a carbonate electrolyte including a support material and an additive constituent having a relatively low melting temperature and a relatively high coefficient of thermal expansion. The additive constituent is from 3 to 45 weight percent of the matrix and is formed from raw particles whose diameter is in a range of 0.1 {micro}m to 20 {micro}m and whose aspect ratio is in a range of 1 to 50. High energy intensive milling is used to mix the support material and additive constituent during matrix formation. Also disclosed is the use of a further additive constituent comprising an alkaline earth containing material. The further additive is mixed with the support material using high energy intensive milling. 5 figs.

Electrolyte matrix for molten carbonate fuel cells

DOEpatents

Huang, Chao M.; Yuh, Chao-Yi

1999-01-01

A matrix for a carbonate electrolyte including a support material and an additive constituent having a relatively low melting temperature and a relatively high coefficient of thermal expansion. The additive constituent is from 3 to 45 weight percent of the matrix and is formed from raw particles whose diameter is in a range of 0.1 .mu.m to 20 .mu.m and whose aspect ratio is in a range of 1 to 50. High energy intensive milling is used to mix the support material and additive constituent during matrix formation. Also disclosed is the use of a further additive constituent comprising an alkaline earth containing material. The further additive is mixed with the support material using high energy intensive milling.

BJUT at TREC 2015 Microblog Track: Real-Time Filtering Using Non-negative Matrix Factorization

DTIC Science & Technology

2015-11-20

information to extend the query, al- leviates the problem of concept drift in query expansion. In User profiles Twitter Google Bing accurate ambiguity...index as the query expansion document set; second- ly,put the interest file in twitter search energy to get back the relevant twetts, the interest in...for clustering is demonstrated in Figure 2. We will be the result of the search energy Twitter as the original expression of interest, the initial

Regenerative air heater

DOEpatents

Hasselquist, P.B.; Baldner, R.

1980-11-26

A gas-cooled steel skirt is used to support a refractory cored brick matrix and dome structure in a high temperature regenerative air heater useful in magnetohydrodynamic power generation. The steel skirt thermally expands to accommodate the thermal expansion of the dome structure despite substantial temperature differential thereby reducing relative movement between the dome bricks. Gas cooling of the steel skirt allows the structure to operate above its normal temperature during clean-out cycles and also allows for the control of the thermal expansion of the steel skirt.

Thermal Expansion and Thermal Conductivity of Rare Earth Silicates

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Lee, Kang N.; Bansal, Narottam P.

2006-01-01

Rare earth silicates are considered promising candidate materials for environmental barrier coatings applications at elevated temperature for ceramic matrix composites. High temperature thermophysical properties are of great importance for coating system design and development. In this study, the thermal expansion and thermal conductivity of hot-pressed rare earth silicate materials were characterized at temperatures up to 1400 C. The effects of specimen porosity, composition and microstructure on the properties were also investigated. The materials processing and testing issues affecting the measurements will also be discussed.

Regenerative air heater

DOEpatents

Hasselquist, Paul B.; Baldner, Richard

1982-01-01

A gas-cooled steel skirt is used to support a refractory cored brick matrix and dome structure in a high temperature regenerative air heater useful in magnetohydrodynamic power generation. The steel skirt thermally expands to accommodate the thermal expansion of the dome structure despite substantial temperature differential thereby reducing relative movement between the dome bricks. Gas cooling of the steel skirt allows the structure to operate above its normal temperature during clean-out cycles and also allows for the control of the thermal expansion of the steel skirt.

Shock Initiation of Thermally Expanded TATB

NASA Astrophysics Data System (ADS)

Mulford, Roberta; Swift, Damian

2011-06-01

The plastic-bonded explosive PBX-9502 undergoes unusual hysteretic thermal expansion, or ``ratchet growth'' as a consequence of the uniaxial thermal expansion of the graphitic structure of the major component, TATB explosive. Upon thermal cycling, the density of the material can be reduced by as much as 9%, resulting in a distinct increase in the shock sensitivity of the solid. Run distances to detonation have been measured in thermally expanded samples of PBX-9502, using embedded particle velocity gauges and shock tracker gauges. Uniaxial shocks were generated using a light gas gun, to provide a repeatable stimulus for initiation of detonation. We have applied a porosity model to adjust standard Pop plot data to the reduced density of our samples, to investigate whether the sensitivity of the PBX 9502 increases ideally with the decreasing density, or whether the microscopically non-uniform expansion that occurs during ``ratchet growth'' leads to abnormal sensitivity, possibly as a result of cracking or debonding from the binder, as observed in micrographs of the sample.

Three-dimensional matrix fiber alignment modulates cell migration and MT1-MMP utility by spatially and temporally directing protrusions

NASA Astrophysics Data System (ADS)

Fraley, Stephanie I.; Wu, Pei-Hsun; He, Lijuan; Feng, Yunfeng; Krisnamurthy, Ranjini; Longmore, Gregory D.; Wirtz, Denis

2015-10-01

Multiple attributes of the three-dimensional (3D) extracellular matrix (ECM) have been independently implicated as regulators of cell motility, including pore size, crosslink density, structural organization, and stiffness. However, these parameters cannot be independently varied within a complex 3D ECM protein network. We present an integrated, quantitative study of these parameters across a broad range of complex matrix configurations using self-assembling 3D collagen and show how each parameter relates to the others and to cell motility. Increasing collagen density resulted in a decrease and then an increase in both pore size and fiber alignment, which both correlated significantly with cell motility but not bulk matrix stiffness within the range tested. However, using the crosslinking enzyme Transglutaminase II to alter microstructure independently of density revealed that motility is most significantly predicted by fiber alignment. Cellular protrusion rate, protrusion orientation, speed of migration, and invasion distance showed coupled biphasic responses to increasing collagen density not predicted by 2D models or by stiffness, but instead by fiber alignment. The requirement of matrix metalloproteinase (MMP) activity was also observed to depend on microstructure, and a threshold of MMP utility was identified. Our results suggest that fiber topography guides protrusions and thereby MMP activity and motility.

Photonic band structures solved by a plane-wave-based transfer-matrix method.

PubMed

Li, Zhi-Yuan; Lin, Lan-Lan

2003-04-01

Transfer-matrix methods adopting a plane-wave basis have been routinely used to calculate the scattering of electromagnetic waves by general multilayer gratings and photonic crystal slabs. In this paper we show that this technique, when combined with Bloch's theorem, can be extended to solve the photonic band structure for 2D and 3D photonic crystal structures. Three different eigensolution schemes to solve the traditional band diagrams along high-symmetry lines in the first Brillouin zone of the crystal are discussed. Optimal rules for the Fourier expansion over the dielectric function and electromagnetic fields with discontinuities occurring at the boundary of different material domains have been employed to accelerate the convergence of numerical computation. Application of this method to an important class of 3D layer-by-layer photonic crystals reveals the superior convergency of this different approach over the conventional plane-wave expansion method.

Coherent states, 6j symbols and properties of the next to leading order asymptotic expansions

NASA Astrophysics Data System (ADS)

Kamiński, Wojciech; Steinhaus, Sebastian

2013-12-01

We present the first complete derivation of the well-known asymptotic expansion of the SU(2) 6j symbol using a coherent state approach, in particular we succeed in computing the determinant of the Hessian matrix. To do so, we smear the coherent states and perform a partial stationary point analysis with respect to the smearing parameters. This allows us to transform the variables from group elements to dihedral angles of a tetrahedron resulting in an effective action, which coincides with the action of first order Regge calculus associated to a tetrahedron. To perform the remaining stationary point analysis, we compute its Hessian matrix and obtain the correct measure factor. Furthermore, we expand the discussion of the asymptotic formula to next to leading order terms, prove some of their properties and derive a recursion relation for the full 6j symbol.

$n$ -Dimensional Discrete Cat Map Generation Using Laplace Expansions.

PubMed

Wu, Yue; Hua, Zhongyun; Zhou, Yicong

2016-11-01

Different from existing methods that use matrix multiplications and have high computation complexity, this paper proposes an efficient generation method of n -dimensional ( [Formula: see text]) Cat maps using Laplace expansions. New parameters are also introduced to control the spatial configurations of the [Formula: see text] Cat matrix. Thus, the proposed method provides an efficient way to mix dynamics of all dimensions at one time. To investigate its implementations and applications, we further introduce a fast implementation algorithm of the proposed method with time complexity O(n 4 ) and a pseudorandom number generator using the Cat map generated by the proposed method. The experimental results show that, compared with existing generation methods, the proposed method has a larger parameter space and simpler algorithm complexity, generates [Formula: see text] Cat matrices with a lower inner correlation, and thus yields more random and unpredictable outputs of [Formula: see text] Cat maps.

Quasi-periodic Solutions of the Kaup-Kupershmidt Hierarchy

NASA Astrophysics Data System (ADS)

Geng, Xianguo; Wu, Lihua; He, Guoliang

2013-08-01

Based on solving the Lenard recursion equations and the zero-curvature equation, we derive the Kaup-Kupershmidt hierarchy associated with a 3×3 matrix spectral problem. Resorting to the characteristic polynomial of the Lax matrix for the Kaup-Kupershmidt hierarchy, we introduce a trigonal curve {K}_{m-1} and present the corresponding Baker-Akhiezer function and meromorphic function on it. The Abel map is introduced to straighten out the Kaup-Kupershmidt flows. With the aid of the properties of the Baker-Akhiezer function and the meromorphic function and their asymptotic expansions, we arrive at their explicit Riemann theta function representations. The Riemann-Jacobi inversion problem is achieved by comparing the asymptotic expansion of the Baker-Akhiezer function and its Riemann theta function representation, from which quasi-periodic solutions of the entire Kaup-Kupershmidt hierarchy are obtained in terms of the Riemann theta functions.

A structure-based extracellular matrix expansion mechanism of fibrous tissue growth.

PubMed

Kalson, Nicholas S; Lu, Yinhui; Taylor, Susan H; Starborg, Tobias; Holmes, David F; Kadler, Karl E

2015-05-20

Embryonic growth occurs predominately by an increase in cell number; little is known about growth mechanisms later in development when fibrous tissues account for the bulk of adult vertebrate mass. We present a model for fibrous tissue growth based on 3D-electron microscopy of mouse tendon. We show that the number of collagen fibrils increases during embryonic development and then remains constant during postnatal growth. Embryonic growth was explained predominately by increases in fibril number and length. Postnatal growth arose predominately from increases in fibril length and diameter. A helical crimp structure was established in embryogenesis, and persisted postnatally. The data support a model where the shape and size of tendon is determined by the number and position of embryonic fibroblasts. The collagen fibrils that these cells synthesise provide a template for postnatal growth by structure-based matrix expansion. The model has important implications for growth of other fibrous tissues and fibrosis.

Low surface area graphene/cellulose composite as a host matrix for lithium sulphur batteries

NASA Astrophysics Data System (ADS)

Patel, Manu U. M.; Luong, Nguyen Dang; Seppälä, Jukka; Tchernychova, Elena; Dominko, Robert

2014-05-01

Graphene/cellulose composites were prepared and studied as potential host matrixes for sulphur impregnation and use in Li-S batteries. We demonstrate that with the proper design of a relatively low surface area graphene/cellulose composite, a high electrochemical performance along with good cyclability can be achieved. Graphene cellulose composites are built from two constituents: a two-dimensional electronic conductive graphene and cellulose fibres as a structural frame; together they form a laminar type of pore. The graphene sheets that uniformly anchor sulphur molecules provide confinement ability for polysulphides, sufficient space to accommodate sulphur volumetric expansion, a large contact area with the sulphur and a short transport pathway for both electrons and lithium ions. Nano-cellulose prevents the opening of graphene sheets due to the volume expansion caused by dissolved polysulphides during battery operation. This, in turn, prevents the diffusion of lithium polysulphides into the electrolyte, enabling a long cycle life.

Collagen Matrix Density Drives the Metabolic Shift in Breast Cancer Cells.

PubMed

Morris, Brett A; Burkel, Brian; Ponik, Suzanne M; Fan, Jing; Condeelis, John S; Aguirre-Ghiso, Julio A; Castracane, James; Denu, John M; Keely, Patricia J

2016-11-01

Increased breast density attributed to collagen I deposition is associated with a 4-6 fold increased risk of developing breast cancer. Here, we assessed cellular metabolic reprogramming of mammary carcinoma cells in response to increased collagen matrix density using an in vitro 3D model. Our initial observations demonstrated changes in functional metabolism in both normal mammary epithelial cells and mammary carcinoma cells in response to changes in matrix density. Further, mammary carcinoma cells grown in high density collagen matrices displayed decreased oxygen consumption and glucose metabolism via the tricarboxylic acid (TCA) cycle compared to cells cultured in low density matrices. Despite decreased glucose entry into the TCA cycle, levels of glucose uptake, cell viability, and ROS were not different between high and low density matrices. Interestingly, under high density conditions the contribution of glutamine as a fuel source to drive the TCA cycle was significantly enhanced. These alterations in functional metabolism mirrored significant changes in the expression of metabolic genes involved in glycolysis, oxidative phosphorylation, and the serine synthesis pathway. This study highlights the broad importance of the collagen microenvironment to cellular expression profiles, and shows that changes in density of the collagen microenvironment can modulate metabolic shifts of cancer cells. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Landscape attributes as drivers of the geographical variation in density of Sapajus nigritus Kerr, 1792, a primate endemic to the Atlantic Forest

NASA Astrophysics Data System (ADS)

Hendges, Carla D.; Melo, Geruza L.; Gonçalves, Alberto S.; Cerezer, Felipe O.; Cáceres, Nilton C.

2017-10-01

Neotropical primates are among the most well studied forest mammals concerning their population densities. However, few studies have evaluated the factors that influence the spatial variation in the population density of primates, which limits the possibility of inferences towards this animal group, especially at the landscape-level. Here, we compiled density data of Sapajus nigritus from 21 forest patches of the Brazilian Atlantic Forest. We tested the effects of climatic variables (temperature, precipitation), landscape attributes (number of patches, mean inter-patch isolation distance, matrix modification index) and patch size on the population density using linear models and the Akaike information criterion. Our findings showed that the density of S. nigritus is influenced by landscape attributes, particularly by fragmentation and matrix modification. Overall, moderately fragmented landscapes and those surrounded by matrices with intermediate indexes of temporal modification (i.e., crop plantations, forestry) are related to high densities of this species. These results support the assumptions that ecologically flexible species respond positively to forest fragmentation. However, the non-linear relationship between S. nigritus density and number of patches suggests that even the species that are most tolerant to forest cover changes seem to respond positively only at an intermediate level of habitat fragmentation, being dependent of both a moderate degree of forest cover and a high quality matrix. The results we found here can be a common response to fragmentation for those forest dweller species that are able to use the matrix as complementary foraging sites.

Metrics of cellular and vascular infiltration of human acellular dermal matrix in ventral hernia repairs.

PubMed

Campbell, Kristin Turza; Burns, Nadja K; Ensor, Joe; Butler, Charles E

2012-04-01

Human acellular dermal matrix is used for ventral hernia repair, as it resists infection and remodels by means of surrounding tissue. However, the tissue source and impact of basement membrane on cell and vessel infiltration have not been determined. The authors hypothesized that musculofascia would be the primary tissue source of cells and vessels infiltrating into human acellular dermal matrix and that the basement membrane would inhibit infiltration. Fifty-six guinea pigs underwent inlay human acellular dermal matrix ventral hernia repair with the basement membrane oriented toward or away from the peritoneum. At postoperative weeks 1, 2, or 4, repair sites were completely excised. Histologic and immunohistochemical analyses were performed to quantify cell and vessel density within repair-site zones, including interface (lateral, beneath musculofascia) and center (beneath subcutaneous fat) zones. Cell and vessel quantities were compared as functions of zone, basement membrane orientation, and time. Cellular and vascular infiltration increased over time universally. The interface demonstrated greater mean cell density than the center (weeks 1 and 2, p = 0.01 and p < 0.0001, respectively). Cell density was greater with the basement membrane oriented toward the peritoneum at week 4 (p = 0.02). The interface zone had greater mean vessel density than the center zone at week 4 (p < 0.0001). Orienting the basement membrane toward the peritoneum increased vessel density at week 4 (p = 0.0004). Cellular and vascular infiltration into human acellular dermal matrix for ventral hernia repairs was greater from musculofascia than from subcutaneous fat, and the basement membrane inhibited cellular and vascular infiltration. Human acellular dermal matrix should be placed adjacent to the best vascularizing tissue to improve fibrovascular incorporation.

Matrix density effects on the mechanical properties of SiC fiber-reinforced silicon nitride matrix properties

NASA Technical Reports Server (NTRS)

Bhatt, Ramakrishna T.; Kiser, Lames D.

1990-01-01

The room temperature mechanical properties were measured for SiC fiber reinforced reaction-bonded silicon nitride composites (SiC/RBSN) of different densities. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix. The composite density was varied by changing the consolidation pressure during RBSN processing and by hot isostatically pressing the SiC/RBSN composites. Results indicate that as the consolidation pressure was increased from 27 to 138 MPa, the average pore size of the nitrided composites decreased from 0.04 to 0.02 microns and the composite density increased from 2.07 to 2.45 gm/cc. Nonetheless, these improvements resulted in only small increases in the first matrix cracking stress, primary elastic modulus, and ultimate tensile strength values of the composites. In contrast, HIP consolidation of SiC/RBSN resulted in a fully dense material whose first matrix cracking stress and elastic modulus were approx. 15 and 50 percent higher, respectively, and ultimate tensile strength values were approx. 40 percent lower than those for unHIPed SiC/RBSN composites. The modulus behavior for all specimens can be explained by simple rule-of-mixture theory. Also, the loss in ultimate strength for the HIPed composites appears to be related to a degradation in fiber strength at the HIP temperature. However, the density effect on matrix fracture strength was much less than would be expected based on typical monolithic Si3N4 behavior, suggesting that composite theory is indeed operating. Possible practical implications of these observations are discussed.

Two dimensional J-matrix approach to quantum scattering

NASA Astrophysics Data System (ADS)

Olumegbon, Ismail Adewale

We present an extension of the J-matrix method of scattering to two dimensions in cylindrical coordinates. In the J-matrix approach we select a zeroth order Hamiltonian, H0, which is exactly solvable in the sense that we select a square integrable basis set that enable us to have an infinite tridiagonal representation for H0. Expanding the wavefunction in this basis makes the wave equation equivalent to a three-term recursion relation for the expansion coefficients. Consequently, finding solutions of the recursion relation is equivalent to solving the original H0 problem (i.e., determining the expansion coefficients of the system's wavefunction). The part of the original potential interaction which cannot be brought to an exact tridiagonal form is cut in an NxN basis space and its matrix elements are computed numerically using Gauss quadrature approach. Hence, this approach embodies powerful tools in the analysis of solutions of the wave equation by exploiting the intimate connection and interplay between tridiagonal matrices and the theory of orthogonal polynomials. In such analysis, one is at liberty to employ a wide range of well established methods and numerical techniques associated with these settings such as quadrature approximation and continued fractions. To demonstrate the utility, usefulness, and accuracy of the extended method we use it to obtain the bound states for an illustrative short range potential problem.

Two dimensional J-matrix approach to quantum scattering

NASA Astrophysics Data System (ADS)

Olumegbon, Ismail Adewale

2013-01-01

We present an extension of the J-matrix method of scattering to two dimensions in cylindrical coordinates. In the J-matrix approach we select a zeroth order Hamiltonian, H0, which is exactly solvable in the sense that we select a square integrable basis set that enable us to have an infinite tridiagonal representation for H0. Expanding the wavefunction in this basis makes the wave equation equivalent to a three-term recursion relation for the expansion coefficients. Consequently, finding solutions of the recursion relation is equivalent to solving the original H0 problem (i.e., determining the expansion coefficients of the system's wavefunction). The part of the original potential interaction which cannot be brought to an exact tridiagonal form is cut in an NxN basis space and its matrix elements are computed numerically using Gauss quadrature approach. Hence, this approach embodies powerful tools in the analysis of solutions of the wave equation by exploiting the intimate connection and interplay between tridiagonal matrices and the theory of orthogonal polynomials. In such analysis, one is at liberty to employ a wide range of well established methods and numerical techniques associated with these settings such as quadrature approximation and continued fractions. To demonstrate the utility, usefulness, and accuracy of the extended method we use it to obtain the bound states for an illustrative short range potential problem.

Coupled tensorial forms of the second-order effective Hamiltonian for open-subshell atoms in jj-coupling

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

Jursenas, Rytis, E-mail: Rytis.Jursenas@tfai.vu.l; Merkelis, Gintaras

2011-01-15

General expressions for the second-order effective atomic Hamiltonian are derived for open-subshell atoms in jj-coupling. The expansion terms are presented as N-body (N=0,1,2,3) effective operators given in the second quantization representation in coupled tensorial form. Two alternative coupled tensorial forms for each expansion term have been developed. To reduce the number of expressions of the effective Hamiltonian, the reduced matrix elements of antisymmetric two-particle wavefunctions are involved in the consideration. The general expressions presented allow the determination of the spin-angular part of expansion terms when studying correlation effects dealing with a number of problems in atomic structure calculations.

Increased extracellular matrix density decreases MCF10A breast cell acinus formation in 3D culture conditions.

PubMed

Lance, Amanda; Yang, Chih-Chao; Swamydas, Muthulekha; Dean, Delphine; Deitch, Sandy; Burg, Karen J L; Dréau, Didier

2016-01-01

The extracellular matrix (ECM) contributes to the generation and dynamic of normal breast tissue, in particular to the generation of polarized acinar and ductal structures. In vitro 3D culture conditions, including variations in the composition of the ECM, have been shown to directly influence the formation and organization of acinus-like and duct-like structures. Furthermore, the density of the ECM appears to also play a role in the normal mammary tissue and tumour formation. Here we show that the density of the ECM directly influences the number, organization and function of breast acini. Briefly, non-malignant human breast MCF10A cells were incubated in increasing densities of a Matrigel®-collagen I matrix. Elastic moduli near and distant to the acinus structures were measured by atomic force microscopy, and the number of acinus structures was determined. Immunochemistry was used to investigate the expression levels of E-cadherin, laminin, matrix metalloproteinase-14 and ß-casein in MCF10A cells. The modulus of the ECM was significantly increased near the acinus structures and the number of acinus structures decreased with the increase in Matrigel-collagen I density. As evaluated by the expression of laminin, the organization of the acinus structures present was altered as the density of the ECM increased. Increases in both E-cadherin and MMP14 expression by MCF10A cells as ECM density increased were also observed. In contrast, MCF10A cells expressed lower ß-casein levels as the ECM density increased. Taken together, these observations highlight the key role of ECM density in modulating the number, organization and function of breast acini. Copyright © 2013 John Wiley & Sons, Ltd.

A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels.

PubMed

Kussmann, Jörg; Ochsenfeld, Christian

2007-11-28

A density matrix-based time-dependent self-consistent field (D-TDSCF) method for the calculation of dynamic polarizabilities and first hyperpolarizabilities using the Hartree-Fock and Kohn-Sham density functional theory approaches is presented. The D-TDSCF method allows us to reduce the asymptotic scaling behavior of the computational effort from cubic to linear for systems with a nonvanishing band gap. The linear scaling is achieved by combining a density matrix-based reformulation of the TDSCF equations with linear-scaling schemes for the formation of Fock- or Kohn-Sham-type matrices. In our reformulation only potentially linear-scaling matrices enter the formulation and efficient sparse algebra routines can be employed. Furthermore, the corresponding formulas for the first hyperpolarizabilities are given in terms of zeroth- and first-order one-particle reduced density matrices according to Wigner's (2n+1) rule. The scaling behavior of our method is illustrated for first exemplary calculations with systems of up to 1011 atoms and 8899 basis functions.

Dielectric, thermal and mechanical properties of zirconium silicate reinforced high density polyethylene composites for antenna applications.

PubMed

Varghese, Jobin; Nair, Dinesh Raghavan; Mohanan, Pezholil; Sebastian, Mailadil Thomas

2015-06-14

A low cost and low dielectric loss zirconium silicate (ZrSiO4) reinforced HDPE (high-density polyethylene) composite has been developed for antenna applications. The 0-3 type composite is prepared by dispersing ZrSiO4 fillers for various volume fractions (0.1 to 0.5) in the HDPE matrix by the melt mixing process. The composite shows good microwave dielectric properties with a relative permittivity of 5.6 and a dielectric loss of 0.003 at 5 GHz at the maximum filler loading of 0.5 volume fraction. The composite exhibits low water absorption, excellent thermal and mechanical properties. It shows a water absorption of 0.03 wt%, a coefficient of thermal expansion of 70 ppm per °C and a room temperature thermal conductivity of 2.4 W mK(-1). The composite shows a tensile strength of 22 MPa and a microhardness of 13.9 kg mm(-2) for the filler loading of 0.5 volume fraction. The HDPE-ZrSiO4 composites show good dielectric, thermal and mechanical properties suitable for microwave soft substrate applications. A microstrip patch antenna is designed and fabricated using the HDPE-0.5 volume fraction ZrSiO4 substrate and the antenna parameters are investigated.

Seismic anisotropy from compositional banding in granulites from the deep magmatic arc of Fiordland, New Zealand

NASA Astrophysics Data System (ADS)

Cyprych, Daria; Piazolo, Sandra; Almqvist, Bjarne S. G.

2017-11-01

We present calculated seismic velocities and anisotropies of mafic granulites and eclogites from the Cretaceous deep lower crust (∼40-65 km) of Fiordland, New Zealand. Both rock types show a distinct foliation defined by cm-scale compositional banding. Seismic properties are estimated using the Asymptotic Expansion Homogenisation - Finite Element (AEH-FE) method that, unlike the commonly used Voigt-Reuss-Hill homogenisation, incorporates the phase boundary network into calculations. The predicted mean P- and S-wave velocities are consistent with previously published data for similar lithologies from other locations (e.g., Kohistan Arc), although we find higher than expected anisotropies (AVP ∼ 5.0-8.0%, AVS ∼ 3.0-6.5%) and substantial S-wave splitting along foliation planes in granulites. This seismic signature of granulites results from a density and elasticity contrast between cm-scale pyroxene ± garnet stringers and plagioclase matrix rather than from crystallographic orientations alone. Banded eclogites do not show elevated anisotropies as the contrast in density and elastic constants of garnet and pyroxene is too small. The origin of compositional banding in Fiordland granulites is primarily magmatic and structures described here are expected to be typical for the base of present day magmatic arcs. Hence, we identify a new potential source of anisotropy within this geotectonic setting.

Single-particle spectral density of the unitary Fermi gas: Novel approach based on the operator product expansion, sum rules and the maximum entropy method

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

Gubler, Philipp, E-mail: pgubler@riken.jp; RIKEN Nishina Center, Wako, Saitama 351-0198; Yamamoto, Naoki

2015-05-15

Making use of the operator product expansion, we derive a general class of sum rules for the imaginary part of the single-particle self-energy of the unitary Fermi gas. The sum rules are analyzed numerically with the help of the maximum entropy method, which allows us to extract the single-particle spectral density as a function of both energy and momentum. These spectral densities contain basic information on the properties of the unitary Fermi gas, such as the dispersion relation and the superfluid pairing gap, for which we obtain reasonable agreement with the available results based on quantum Monte-Carlo simulations.

Probability density and exceedance rate functions of locally Gaussian turbulence

NASA Technical Reports Server (NTRS)

Mark, W. D.

1989-01-01

A locally Gaussian model of turbulence velocities is postulated which consists of the superposition of a slowly varying strictly Gaussian component representing slow temporal changes in the mean wind speed and a more rapidly varying locally Gaussian turbulence component possessing a temporally fluctuating local variance. Series expansions of the probability density and exceedance rate functions of the turbulence velocity model, based on Taylor's series, are derived. Comparisons of the resulting two-term approximations with measured probability density and exceedance rate functions of atmospheric turbulence velocity records show encouraging agreement, thereby confirming the consistency of the measured records with the locally Gaussian model. Explicit formulas are derived for computing all required expansion coefficients from measured turbulence records.

Scalable preparation of porous micron-SnO2/C composites as high performance anode material for lithium ion battery

NASA Astrophysics Data System (ADS)

Wang, Ming-Shan; Lei, Ming; Wang, Zhi-Qiang; Zhao, Xing; Xu, Jun; Yang, Wei; Huang, Yun; Li, Xing

2016-03-01

Nano tin dioxide-carbon (SnO2/C) composites prepared by various carbon materials, such as carbon nanotubes, porous carbon, and graphene, have attracted extensive attention in wide fields. However, undesirable concerns of nanoparticles, including in higher surface area, low tap density, and self-agglomeration, greatly restricted their large-scale practical applications. In this study, novel porous micron-SnO2/C (p-SnO2/C) composites are scalable prepared by a simple hydrothermal approach using glucose as a carbon source and Pluronic F127 as a pore forming agent/soft template. The SnO2 nanoparticles were homogeneously dispersed in micron carbon spheres by assembly with F127/glucose. The continuous three-dimensional porous carbon networks have effectively provided strain relaxation for SnO2 volume expansion/shrinkage during lithium insertion/extraction. In addition, the carbon matrix could largely minimize the direct exposure of SnO2 to the electrolyte, thus ensure formation of stable solid electrolyte interface films. Moreover, the porous structure could also create efficient channels for the fast transport of lithium ions. As a consequence, the p-SnO2/C composites exhibit stable cycle performance, such as a high capacity retention of over 96% for 100 cycles at a current density of 200 mA g-1 and a long cycle life up to 800 times at a higher current density of 1000 mA g-1.

Characterization of local thermodynamic equilibrium in a laser-induced aluminum alloy plasma.

PubMed

Zhang, Yong; Zhao, Zhenyang; Xu, Tao; Niu, GuangHui; Liu, Ying; Duan, Yixiang

2016-04-01

The electron temperature was evaluated using the line-to-continuum ratio method, and whether the plasma was close to the local thermodynamic equilibrium (LTE) state was investigated in detail. The results showed that approximately 5 μs after the plasma formed, the changes in the electron and excitation temperatures, which were determined using a Boltzmann plot, overlapped in the 15% error range, which indicated that the LTE state was reached. The recombination of electrons and ions and the free electron expansion process led to the deviation from the LTE state. The plasma's expansion rate slowed over time, and when the expansion time was close to the ionization equilibrium time, the LTE state was almost reached. The McWhirter criterion was adopted to calculate the threshold electron density for different species, and the results showed that experimental electron density was greater than the threshold electron density, which meant that the LTE state may have existed. However, for the nonmetal element N, the threshold electron density was greater than the value experimental value approximately 0.8 μs after the plasma formed, which meant that LTE state did not exist for N.

Reactive decomposition of low density PMDI foam subject to shock compression

NASA Astrophysics Data System (ADS)

Alexander, Scott; Reinhart, William; Brundage, Aaron; Peterson, David

Low density polymethylene diisocyanate (PMDI) foam with a density of 5.4 pounds per cubic foot (0.087 g/cc) was tested to determine the equation of state properties under shock compression over the pressure range of 0.58 - 3.4 GPa. This pressure range encompasses a region approximately 1.0-1.2 GPa within which the foam undergoes reactive decomposition resulting in significant volume expansion of approximately three times the volume prior to reaction. This volume expansion has a significant effect on the high pressure equation of state. Previous work on similar foam was conducted only up to the region where volume expansion occurs and extrapolation of that data to higher pressure results in a significant error. It is now clear that new models are required to account for the reactive decomposition of this class of foam. The results of plate impact tests will be presented and discussed including details of the unique challenges associated with shock compression of low density foams. Sandia National Labs is a multi-program lab managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. Dept. of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Goal-Oriented Probability Density Function Methods for Uncertainty Quantification

DTIC Science & Technology

2015-12-11

approximations or data-driven approaches. We investigated the accuracy of analytical tech- niques based Kubo -Van Kampen operator cumulant expansions for...analytical techniques based Kubo -Van Kampen operator cumulant expansions for Langevin equations driven by fractional Brownian motion and other noises

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

Jakeman, John D.; Narayan, Akil; Zhou, Tao

We propose an algorithm for recovering sparse orthogonal polynomial expansions via collocation. A standard sampling approach for recovering sparse polynomials uses Monte Carlo sampling, from the density of orthogonality, which results in poor function recovery when the polynomial degree is high. Our proposed approach aims to mitigate this limitation by sampling with respect to the weighted equilibrium measure of the parametric domain and subsequently solves a preconditionedmore » $$\\ell^1$$-minimization problem, where the weights of the diagonal preconditioning matrix are given by evaluations of the Christoffel function. Our algorithm can be applied to a wide class of orthogonal polynomial families on bounded and unbounded domains, including all classical families. We present theoretical analysis to motivate the algorithm and numerical results that show our method is superior to standard Monte Carlo methods in many situations of interest. In conclusion, numerical examples are also provided to demonstrate that our proposed algorithm leads to comparable or improved accuracy even when compared with Legendre- and Hermite-specific algorithms.« less

Thermal stability of lightweight graphite glass sandwich reflectors for far infrared astronomy

NASA Technical Reports Server (NTRS)

Bluege, J. H.; Mayor, R. A.; Hoffman, W. F.

1986-01-01

Graphite fiber-reinforced glass matrix composites are being developed for a variety of structural applications requiring excellent thermomechanical stability. These materials are ideally suited for lightweight, high strength, thermally stable infrared mirrors because of their low density, low thermal expansion, high strength and stiffness, and their ability to be machined, replicated and figured using standard polishing techniques. These properties are particularly promising for applications such as a 3-meter balloon-borne far-infrared and submillimeter telescope mirror which must be both very lightweight and able to retain its figure accuracy when cycled between room temperature and its operating temperature of -50 C. This paper presents the results of a set of low temperature optical tests conducted to determine the figure stability of a 30-cm diameter, frit-bonded graphite/glass mirror in the +20 to -60 C temperature range using a 10.6 micron laser interferometer. The results indicate that the residual change in figure was less than 0.3 microns, rms.

Neutrino Photoproduction on the Electron of a Hydrogen-Like Atom

NASA Astrophysics Data System (ADS)

Skobelev, V. V.

2017-10-01

The process of interaction of a photon with the bound electron of a hydrogen-like atom with creation of a neutrino pair γ +{(Ze)}^{\\ast \\ast}\\to \\overline{νν}+{(Ze)}^{\\ast } is considered here for the first time. This process can take place with and without a change in the energy of the pair relative to the energy of the "initial" photon due to atomic transitions. It is shown that in the case when the system of atoms is located in an equilibrium radiation field with temperature T << m e this process can be neglected in comparison with spontaneous emission of the hydrogen-like atom {(Ze)}^{\\ast}\\to (Ze)+ν\\overline{ν} , despite the smaller power of the expansion parameter ( Zα) < < 1, α = e 2/ ℏc ≈ 1/137 in the expressions for the cross sections and probabilities. Calculations have been performed for the first time using the density matrix, introduced in the previous paper, of the electron in the field of the nucleus in the leading approximation in (Zα).

Molecular modeling studies of structural properties of polyvinyl alcohol: a comparative study using INTERFACE force field.

PubMed

Radosinski, Lukasz; Labus, Karolina

2017-10-05

Polyvinyl alcohol (PVA) is a material with a variety of applications in separation, biotechnology, and biomedicine. Using combined Monte Carlo and molecular dynamics techniques, we present an extensive comparative study of second- and third-generation force fields Universal, COMPASS, COMPASS II, PCFF, and the newly developed INTERFACE, as applied to this system. In particular, we show that an INTERFACE force field provides a possibility of composing a reliable atomistic model to reproduce density change of PVA matrix in a narrow temperature range (298-348 K) and calculate a thermal expansion coefficient with reasonable accuracy. Thus, the INTERFACE force field may be used to predict mechanical properties of the PVA system, being a scaffold for hydrogels, with much greater accuracy than latter approaches. Graphical abstract Molecular Dynamics and Monte Carlo studies indicate that it is possible to predict properties of the PVA in narrow temperature range by using the INTERFACE force field.

Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism

DOE PAGES

Filatov, Michael; Liu, Fang; Martínez, Todd J.

2017-07-21

The state-averaged (SA) spin restricted ensemble referenced Kohn-Sham (REKS) method and its state interaction (SI) extension, SI-SA-REKS, enable one to describe correctly the shape of the ground and excited potential energy surfaces of molecules undergoing bond breaking/bond formation reactions including features such as conical intersections crucial for theoretical modeling of non-adiabatic reactions. Until recently, application of the SA-REKS and SI-SA-REKS methods to modeling the dynamics of such reactions was obstructed due to the lack of the analytical energy derivatives. Here, the analytical derivatives of the individual SA-REKS and SI-SA-REKS energies are derived. The final analytic gradient expressions are formulated entirelymore » in terms of traces of matrix products and are presented in the form convenient for implementation in the traditional quantum chemical codes employing basis set expansions of the molecular orbitals. Finally, we will describe the implementation and benchmarking of the derived formalism in a subsequent article of this series.« less

Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.

PubMed

Jung, Yousung; Shao, Yihan; Head-Gordon, Martin

2007-09-01

The scaled opposite spin Møller-Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, in a statistical sense, of higher quality than standard MP2 theory, by introducing one empirical parameter. But SOS-MP2 still has a fourth-order scaling step that makes the method inapplicable to very large molecular systems. We reduce the scaling of SOS-MP2 by exploiting the sparsity of expansion coefficients and local integral matrices, by performing local auxiliary basis expansions for the occupied-virtual product distributions. To exploit sparsity of 3-index local quantities, we use a blocking scheme in which entire zero-rows and columns, for a given third global index, are deleted by comparison against a numerical threshold. This approach minimizes sparse matrix book-keeping overhead, and also provides sufficiently large submatrices after blocking, to allow efficient matrix-matrix multiplies. The resulting algorithm is formally cubic scaling, and requires only moderate computational resources (quadratic memory and disk space) and, in favorable cases, is shown to yield effective quadratic scaling behavior in the size regime we can apply it to. Errors associated with local fitting using the attenuated Coulomb metric and numerical thresholds in the blocking procedure are found to be insignificant in terms of the predicted relative energies. A diverse set of test calculations shows that the size of system where significant computational savings can be achieved depends strongly on the dimensionality of the system, and the extent of localizability of the molecular orbitals. Copyright 2007 Wiley Periodicals, Inc.

Lithium-coated polymeric matrix as a minimum volume-change and dendrite-free lithium metal anode

PubMed Central

Liu, Yayuan; Lin, Dingchang; Liang, Zheng; Zhao, Jie; Yan, Kai; Cui, Yi

2016-01-01

Lithium metal is the ideal anode for the next generation of high-energy-density batteries. Nevertheless, dendrite growth, side reactions and infinite relative volume change have prevented it from practical applications. Here, we demonstrate a promising metallic lithium anode design by infusing molten lithium into a polymeric matrix. The electrospun polyimide employed is stable against highly reactive molten lithium and, via a conformal layer of zinc oxide coating to render the surface lithiophilic, molten lithium can be drawn into the matrix, affording a nano-porous lithium electrode. Importantly, the polymeric backbone enables uniform lithium stripping/plating, which successfully confines lithium within the matrix, realizing minimum volume change and effective dendrite suppression. The porous electrode reduces the effective current density; thus, flat voltage profiles and stable cycling of more than 100 cycles is achieved even at a high current density of 5 mA cm−2 in both carbonate and ether electrolyte. The advantages of the porous, polymeric matrix provide important insights into the design principles of lithium metal anodes. PMID:26987481

Lithium-coated polymeric matrix as a minimum volume-change and dendrite-free lithium metal anode

DOE PAGES

Liu, Yayuan; Lin, Dingchang; Liang, Zheng; ...

2016-03-18

Lithium metal is the ideal anode for the next generation of high-energy-density batteries. Nevertheless, dendrite growth, side reactions and infinite relative volume change have prevented it from practical applications. Here, we demonstrate a promising metallic lithium anode design by infusing molten lithium into a polymeric matrix. The electrospun polyimide employed is stable against highly reactive molten lithium and, via a conformal layer of zinc oxide coating to render the surface lithiophilic, molten lithium can be drawn into the matrix, affording a nano-porous lithium electrode. Importantly, the polymeric backbone enables uniform lithium stripping/plating, which successfully confines lithium within the matrix, realizingmore » minimum volume change and effective dendrite suppression. The porous electrode reduces the effective current density; thus, flat voltage profiles and stable cycling of more than 100 cycles is achieved even at a high current density of 5 mA cm -2 in both carbonate and ether electrolyte. Furthermore, the advantages of the porous, polymeric matrix provide important insights into the design principles of lithium metal anodes.« less

Lithium-coated polymeric matrix as a minimum volume-change and dendrite-free lithium metal anode

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

Liu, Yayuan; Lin, Dingchang; Liang, Zheng

Lithium metal is the ideal anode for the next generation of high-energy-density batteries. Nevertheless, dendrite growth, side reactions and infinite relative volume change have prevented it from practical applications. Here, we demonstrate a promising metallic lithium anode design by infusing molten lithium into a polymeric matrix. The electrospun polyimide employed is stable against highly reactive molten lithium and, via a conformal layer of zinc oxide coating to render the surface lithiophilic, molten lithium can be drawn into the matrix, affording a nano-porous lithium electrode. Importantly, the polymeric backbone enables uniform lithium stripping/plating, which successfully confines lithium within the matrix, realizingmore » minimum volume change and effective dendrite suppression. The porous electrode reduces the effective current density; thus, flat voltage profiles and stable cycling of more than 100 cycles is achieved even at a high current density of 5 mA cm -2 in both carbonate and ether electrolyte. Furthermore, the advantages of the porous, polymeric matrix provide important insights into the design principles of lithium metal anodes.« less

Influence of residual plasma drift velocity on the post-arc sheath expansion of vacuum circuit breakers

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

Mo, Yongpeng; Shi, Zongqian; Jia, Shenli

The residual plasma in the inter-contact region of a vacuum circuit breaker moves towards the post-arc cathode at current zero, because the residual plasma mainly comes from the cathode spots during the arc burning process. In the most previous theoretical researches on the post-arc sheath expansion process of vacuum circuit breakers, only the thermal motion of residual plasma was taken into consideration. Alternately, the residual plasma was even assumed to be static at the moment of current zero in some simplified models. However, the influence of residual plasma drift velocity at current zero on the post-arc sheath expansion process wasmore » rarely investigated. In this paper, this effect is investigated by a one-dimensional particle-in-cell model. Simulation results indicate that the sheath expands slower with higher residual plasma drift velocity in the initial sheath expansion stage. However, with the increase of residual plasma drift velocity, the overall plasma density in the inter-contact region decreases faster, and the sheath expansion velocity increases earlier. Consequently, as a whole, it needs shorter time to expel the residual plasma from the inter-contact region. Furthermore, if the residual plasma drift velocity is high enough, the sheath expansion process ceases before it develops to the post-arc anode. Besides, the influence of the collisions between charges and neutrals is investigated as well in terms of the density of metal vapor. It shows that the residual plasma drift velocity takes remarkable effect only if the density of the metal vapor is relatively low, which corresponds to the circumstance of low-current interruptions.« less

Epithelial organization and cyst lumen expansion require efficient Sec13-Sec31-driven secretion.

PubMed

Townley, Anna K; Schmidt, Katy; Hodgson, Lorna; Stephens, David J

2012-02-01

Epithelial morphogenesis is directed by interactions with the underlying extracellular matrix. Secretion of collagen and other matrix components requires efficient coat complex II (COPII) vesicle formation at the endoplasmic reticulum. Here, we show that suppression of the outer layer COPII component, Sec13, in zebrafish embryos results in a disorganized gut epithelium. In human intestinal epithelial cells (Caco-2), Sec13 depletion causes defective epithelial polarity and organization on permeable supports. Defects are seen in the ability of cells to adhere to the substrate, form a monolayer and form intercellular junctions. When embedded in a three-dimensional matrix, Sec13-depleted Caco-2 cells form cysts but, unlike controls, are defective in lumen expansion. Incorporation of primary fibroblasts within the three-dimensional culture substantially restores normal morphogenesis. We conclude that efficient COPII-dependent secretion, notably assembly of Sec13-Sec31, is required to drive epithelial morphogenesis in both two- and three-dimensional cultures in vitro, as well as in vivo. Our results provide insight into the role of COPII in epithelial morphogenesis and have implications for the interpretation of epithelial polarity and organization assays in cell culture.

Epithelial organization and cyst lumen expansion require efficient Sec13–Sec31-driven secretion

PubMed Central

Townley, Anna K.; Schmidt, Katy; Hodgson, Lorna; Stephens, David J.

2012-01-01

Epithelial morphogenesis is directed by interactions with the underlying extracellular matrix. Secretion of collagen and other matrix components requires efficient coat complex II (COPII) vesicle formation at the endoplasmic reticulum. Here, we show that suppression of the outer layer COPII component, Sec13, in zebrafish embryos results in a disorganized gut epithelium. In human intestinal epithelial cells (Caco-2), Sec13 depletion causes defective epithelial polarity and organization on permeable supports. Defects are seen in the ability of cells to adhere to the substrate, form a monolayer and form intercellular junctions. When embedded in a three-dimensional matrix, Sec13-depleted Caco-2 cells form cysts but, unlike controls, are defective in lumen expansion. Incorporation of primary fibroblasts within the three-dimensional culture substantially restores normal morphogenesis. We conclude that efficient COPII-dependent secretion, notably assembly of Sec13–Sec31, is required to drive epithelial morphogenesis in both two- and three-dimensional cultures in vitro, as well as in vivo. Our results provide insight into the role of COPII in epithelial morphogenesis and have implications for the interpretation of epithelial polarity and organization assays in cell culture. PMID:22331354

Substrate Screening Effects in ab initio Many-body Green's Function Calculations of Doped Graphene on SiC

NASA Astrophysics Data System (ADS)

Vigil-Fowler, Derek; Lischner, Johannes; Louie, Steven

2013-03-01

Understanding many-electron interaction effects and the influence of the substrate in graphene-on-substrate systems is of great theoretical and practical interest. Thus far, both model Hamiltonian and ab initio GW calculations for the quasiparticle properties of such systems have employed crude models for the effect of the substrate, often approximating the complicated substrate dielectric matrix by a single constant. We develop a method in which the spatially-dependent dielectric matrix of the substrate (e.g., SiC) is incorporated into that of doped graphene to obtain an accurate total dielectric matrix. We present ab initio GW + cumulant expansion calculations, showing that both the cumulant expansion (to include higher-order electron correlations) and a proper account of the substrate screening are needed to achieve agreement with features seen in ARPES. We discuss how this methodology could be used in other systems. This work was supported by NSF Grant No. DMR10-1006184 and U.S. DOE Contract No. DE-AC02-05CH11231. Computational resources have been provided by the NERSC and NICS. D.V-F. acknowledges funding from the DOD's NDSEG fellowship.

Coupled social and ecological outcomes of land use change and agricultural intensification in Costa Rica and the future of biodiversity conservation in tropical agricultural regions.

NASA Astrophysics Data System (ADS)

Sanfiorenzo, A. R.; Shaver, I.; Chain Guadarrama, A.; Cleary, K.; Santiago-Garcia, R.; Finegan, B.; Hormel, L.; Sibelet, N.; Vierling, L. A.; Bosque-Perez, N.; DeClerck, F.; Fagan, M. E.; Waits, L.

2016-12-01

Tropical ecosystem conversion to agriculture has caused widespread habitat loss and created fragmented landscapes composed of remnant forest patches embedded in a matrix of agricultural land uses. Non- traditional agricultural export (NTAE) crops such as pineapple are rapidly replacing multiuse landscapes characterized by a diverse matrix of pasture and smallholder crops with intensive, large-scale, monoculture plantations. Using an interdisciplinary approach, we conduct a case study to examine the coupled social and ecological implications of LUCC and agricultural intensification in this region, with larger application to regions experiencing similar patterns. Guided by frameworks from both political and landscape ecology, we: (1) describe the social and economic implications of pineapple expansion, specifically the concentration of land, labor and financial resources, (2) quantify pineapple cultivation's spatial characteristics, and (3) assess the effects of pineapple expansion on surrounding forest ecosystems, on the agricultural matrix and on biodiversity conservation. Our results indicate that pineapple production concentrates land, labor, and financial resources, which has a homogenizing effect on the agricultural economy in the study region. This constrains farm-based livelihoods, with larger implications for food security and agricultural diversity. Landscape ecology analyses further reveal how pineapple production simplifies and homogenizes the agricultural matrix between forest patches, which is likely to have a negative effect on biodiversity. To offset the effects of pineapple expansion on social and environmental systems, we recommend developing landscape level land use planning capacity. Furthermore, agricultural and conservation policy reform is needed to promote landscape heterogeneity and economic diversity within the agricultural sector. Our interdisciplinary research provides a detailed examination of the social and ecological impacts of agricultural intensification in a tropical landscape, and offers recommendations for improvement relevant not only to our study region but to the many other tropical landscapes currently undergoing non-traditional agricultural export driven agricultural intensification.

Coupled social and ecological outcomes of land use change and agricultural intensification in Costa Rica and the future of biodiversity conservation in tropical agricultural regions.

NASA Astrophysics Data System (ADS)

Sanfiorenzo, A. R.; Shaver, I.; Chain Guadarrama, A.; Cleary, K.; Santiago-Garcia, R.; Finegan, B.; Hormel, L.; Sibelet, N.; Vierling, L. A.; Bosque-Perez, N.; DeClerck, F.; Fagan, M. E.; Waits, L.

2017-12-01

Tropical ecosystem conversion to agriculture has caused widespread habitat loss and created fragmented landscapes composed of remnant forest patches embedded in a matrix of agricultural land uses. Non- traditional agricultural export (NTAE) crops such as pineapple are rapidly replacing multiuse landscapes characterized by a diverse matrix of pasture and smallholder crops with intensive, large-scale, monoculture plantations. Using an interdisciplinary approach, we conduct a case study to examine the coupled social and ecological implications of LUCC and agricultural intensification in this region, with larger application to regions experiencing similar patterns. Guided by frameworks from both political and landscape ecology, we: (1) describe the social and economic implications of pineapple expansion, specifically the concentration of land, labor and financial resources, (2) quantify pineapple cultivation's spatial characteristics, and (3) assess the effects of pineapple expansion on surrounding forest ecosystems, on the agricultural matrix and on biodiversity conservation. Our results indicate that pineapple production concentrates land, labor, and financial resources, which has a homogenizing effect on the agricultural economy in the study region. This constrains farm-based livelihoods, with larger implications for food security and agricultural diversity. Landscape ecology analyses further reveal how pineapple production simplifies and homogenizes the agricultural matrix between forest patches, which is likely to have a negative effect on biodiversity. To offset the effects of pineapple expansion on social and environmental systems, we recommend developing landscape level land use planning capacity. Furthermore, agricultural and conservation policy reform is needed to promote landscape heterogeneity and economic diversity within the agricultural sector. Our interdisciplinary research provides a detailed examination of the social and ecological impacts of agricultural intensification in a tropical landscape, and offers recommendations for improvement relevant not only to our study region but to the many other tropical landscapes currently undergoing non-traditional agricultural export driven agricultural intensification.

Precision matrix expansion - efficient use of numerical simulations in estimating errors on cosmological parameters

NASA Astrophysics Data System (ADS)

Friedrich, Oliver; Eifler, Tim

2018-01-01

Computing the inverse covariance matrix (or precision matrix) of large data vectors is crucial in weak lensing (and multiprobe) analyses of the large-scale structure of the Universe. Analytically computed covariances are noise-free and hence straightforward to invert; however, the model approximations might be insufficient for the statistical precision of future cosmological data. Estimating covariances from numerical simulations improves on these approximations, but the sample covariance estimator is inherently noisy, which introduces uncertainties in the error bars on cosmological parameters and also additional scatter in their best-fitting values. For future surveys, reducing both effects to an acceptable level requires an unfeasibly large number of simulations. In this paper we describe a way to expand the precision matrix around a covariance model and show how to estimate the leading order terms of this expansion from simulations. This is especially powerful if the covariance matrix is the sum of two contributions, C = A+B, where A is well understood analytically and can be turned off in simulations (e.g. shape noise for cosmic shear) to yield a direct estimate of B. We test our method in mock experiments resembling tomographic weak lensing data vectors from the Dark Energy Survey (DES) and the Large Synoptic Survey Telescope (LSST). For DES we find that 400 N-body simulations are sufficient to achieve negligible statistical uncertainties on parameter constraints. For LSST this is achieved with 2400 simulations. The standard covariance estimator would require >105 simulations to reach a similar precision. We extend our analysis to a DES multiprobe case finding a similar performance.

Stockholder projector analysis: A Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

NASA Astrophysics Data System (ADS)

Vanfleteren, Diederik; Van Neck, Dimitri; Bultinck, Patrick; Ayers, Paul W.; Waroquier, Michel

2012-01-01

A previously introduced partitioning of the molecular one-electron density matrix over atoms and bonds [D. Vanfleteren et al., J. Chem. Phys. 133, 231103 (2010)] is investigated in detail. Orthogonal projection operators are used to define atomic subspaces, as in Natural Population Analysis. The orthogonal projection operators are constructed with a recursive scheme. These operators are chemically relevant and obey a stockholder principle, familiar from the Hirshfeld-I partitioning of the electron density. The stockholder principle is extended to density matrices, where the orthogonal projectors are considered to be atomic fractions of the summed contributions. All calculations are performed as matrix manipulations in one-electron Hilbert space. Mathematical proofs and numerical evidence concerning this recursive scheme are provided in the present paper. The advantages associated with the use of these stockholder projection operators are examined with respect to covalent bond orders, bond polarization, and transferability.

Communication: A difference density picture for the self-consistent field ansatz.

PubMed

Parrish, Robert M; Liu, Fang; Martínez, Todd J

2016-04-07

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

NASA Astrophysics Data System (ADS)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-04-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

A Sheet-like Carbon Matrix Hosted Sulfur as Cathode for High-performance Lithium-Sulfur Batteries

PubMed Central

Lu, Songtao; Chen, Yan; Zhou, Jia; Wang, Zhida; Wu, Xiaohong; Gu, Jian; Zhang, Xiaoping; Pang, Aimin; Jiao, Zilong; Jiang, Lixiang

2016-01-01

Lithium-sulfur (Li-S) batteries are a promising candidate of next generation energy storage systems owing to its high theoretical capacity and energy density. However, to date, its commercial application was hindered by the inherent problems of sulfur cathode. Additionally, with the rapid decline of non-renewable resources and active appeal of green chemistry, the intensive research of new electrode materials was conducted worldwide. We have obtained a sheet-like carbon material (shaddock peel carbon sheets SPCS) from organic waste shaddock peel, which can be used as the conductive carbon matrix for sulfur-based cathodes. Furthermore, the raw materials are low-cost, truly green and recyclable. As a result, the sulfur cathode made with SPCS (SPCS-S), can deliver a high reversible capacity of 722.5 mAh g−1 at 0.2 C after 100 cycles with capacity recuperability of ~90%, demonstrating that the SPCS-S hybrid is of great potential as the cathode for rechargeable Li-S batteries. The high electrochemical performance of SPCS-S hybrid could be attributed to the sheet-like carbon network with large surface area and high conductivity of the SPCS, in which the carbon sheets enable the uniform distribution of sulfur, better ability to trap the soluble polysulfides and accommodate volume expansion/shrinkage of sulfur during repeated charge/discharge cycles. PMID:26842015

A Sheet-like Carbon Matrix Hosted Sulfur as Cathode for High-performance Lithium-Sulfur Batteries.

PubMed

Lu, Songtao; Chen, Yan; Zhou, Jia; Wang, Zhida; Wu, Xiaohong; Gu, Jian; Zhang, Xiaoping; Pang, Aimin; Jiao, Zilong; Jiang, Lixiang

2016-02-04

Lithium-sulfur (Li-S) batteries are a promising candidate of next generation energy storage systems owing to its high theoretical capacity and energy density. However, to date, its commercial application was hindered by the inherent problems of sulfur cathode. Additionally, with the rapid decline of non-renewable resources and active appeal of green chemistry, the intensive research of new electrode materials was conducted worldwide. We have obtained a sheet-like carbon material (shaddock peel carbon sheets SPCS) from organic waste shaddock peel, which can be used as the conductive carbon matrix for sulfur-based cathodes. Furthermore, the raw materials are low-cost, truly green and recyclable. As a result, the sulfur cathode made with SPCS (SPCS-S), can deliver a high reversible capacity of 722.5 mAh g(-1) at 0.2 C after 100 cycles with capacity recuperability of ~90%, demonstrating that the SPCS-S hybrid is of great potential as the cathode for rechargeable Li-S batteries. The high electrochemical performance of SPCS-S hybrid could be attributed to the sheet-like carbon network with large surface area and high conductivity of the SPCS, in which the carbon sheets enable the uniform distribution of sulfur, better ability to trap the soluble polysulfides and accommodate volume expansion/shrinkage of sulfur during repeated charge/discharge cycles.

A Sheet-like Carbon Matrix Hosted Sulfur as Cathode for High-performance Lithium-Sulfur Batteries

NASA Astrophysics Data System (ADS)

Lu, Songtao; Chen, Yan; Zhou, Jia; Wang, Zhida; Wu, Xiaohong; Gu, Jian; Zhang, Xiaoping; Pang, Aimin; Jiao, Zilong; Jiang, Lixiang

2016-02-01

Lithium-sulfur (Li-S) batteries are a promising candidate of next generation energy storage systems owing to its high theoretical capacity and energy density. However, to date, its commercial application was hindered by the inherent problems of sulfur cathode. Additionally, with the rapid decline of non-renewable resources and active appeal of green chemistry, the intensive research of new electrode materials was conducted worldwide. We have obtained a sheet-like carbon material (shaddock peel carbon sheets SPCS) from organic waste shaddock peel, which can be used as the conductive carbon matrix for sulfur-based cathodes. Furthermore, the raw materials are low-cost, truly green and recyclable. As a result, the sulfur cathode made with SPCS (SPCS-S), can deliver a high reversible capacity of 722.5 mAh g-1 at 0.2 C after 100 cycles with capacity recuperability of ~90%, demonstrating that the SPCS-S hybrid is of great potential as the cathode for rechargeable Li-S batteries. The high electrochemical performance of SPCS-S hybrid could be attributed to the sheet-like carbon network with large surface area and high conductivity of the SPCS, in which the carbon sheets enable the uniform distribution of sulfur, better ability to trap the soluble polysulfides and accommodate volume expansion/shrinkage of sulfur during repeated charge/discharge cycles.

From solid solution to cluster formation of Fe and Cr in α-Zr

NASA Astrophysics Data System (ADS)

Burr, P. A.; Wenman, M. R.; Gault, B.; Moody, M. P.; Ivermark, M.; Rushton, M. J. D.; Preuss, M.; Edwards, L.; Grimes, R. W.

2015-12-01

To understand the mechanisms by which the re-solution of Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, the solubility and clustering of Fe and Cr in model binary Zr alloys was investigated using a combination of experimental and modelling techniques - atom probe tomography (APT), x-ray diffraction (XRD), thermoelectric power (TEP) and density functional theory (DFT). Cr occupies both interstitial and substitutional sites in the α-Zr lattice; Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of Fe and Cr content in the α-Zr matrix deviates from Vegard's law and is strongly anisotropic for Fe additions, expanding the c-axis while contracting the a-axis. Matrix content of solutes cannot be reliably estimated from lattice parameter measurements, instead a combination of TEP and APT was employed. Defect clusters form at higher solution concentrations, which induce a smaller lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased apparent solubility of defect clusters; the implications for irradiation induced microstructure changes in Zr alloys are discussed.

Three-dimensional hierarchical C-Co-N/Se derived from metal-organic framework as superior cathode for Li-Se batteries

NASA Astrophysics Data System (ADS)

He, Jiarui; Lv, Weiqiang; Chen, Yuanfu; Xiong, Jie; Wen, Kechun; Xu, Chen; Zhang, Wanli; Li, Yanrong; Qin, Wu; He, Weidong

2017-09-01

Three-dimensional, porous graphitic carbon co-doped with cobalt and nitrogen (C-Co-N) is prepared with metal-organic framework (MOF) and employed as Lewis base matrix to host selenium. Owing to the unique structure with abundant micro/meso-pores, the highly-conductive C-Co-N matrix provides highly-efficient channels for electron transfer and ionic diffusion, and sufficient surface area for loading of selenium nanoparticles while mitigating dissolution of polyselenides and suppressing volume expansion. The homogenous distribution of cobalt nanoparticles and nitrogen-group in C-Co-N composite immobilize polyselenides through strong chemical interaction in the operation of Li-Se batteries. With a very high Se loading of 76.5 wt%, the C-Co-N/Se cathode delivers superior electrochemical performance with an ultrahigh reversible capacity of 672.3 mAh g-1 (99.6% of the theoretical value) and a capacity of 574.2 mAh g-1 after 200 cycles, giving a capacity fading of only 0.07% per cycle and a nearly 100% Columbic efficiency. In-situ Raman spectroscopy and density functional theory simulations are employed to investigate the Se (de)lithiation mechanism at the electrolyte/cathode interface, and confirm that the structure and composition of C-Co-N scaffold give rise to efficient cathode host for high-performance Se-based cathodes with dramatically reduced capacity fading.

Propagation of Circularly Polarized Light Through a Two-Dimensional Random Medium

NASA Astrophysics Data System (ADS)

Gorodnichev, E. E.

2017-12-01

The problem of small-angle multiple-scattering of circularly polarized light in a two-dimensional medium with large fiberlike inhomogeneities is studied. The attenuation lengths for elements the density matrix are calculated. It is found that with increasing the sample thickness the intensity of waves polarized along the fibers decays faster than the other density matrix elements. With further increase in the thickness, the off-diagonal element which is responsible for correlation between the cross-polarized waves dissapears. In the case of very thick samples the scattered field proves to be polarized perpendicular to the fibers. It is shown that the difference in the attenuation lengths of the density matrix elements results in a non-monotonic depth dependence of the degree of polarization.

Ab-initio study of thermal expansion in pure graphene

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

Mann, Sarita; Kumar, Ranjan; Jindal, V. K., E-mail: jindal@pu.ac.in

Graphene is a zero band gap semiconductor with exceptionally high thermal conductivity. The electronic properties having been studied, therole of phonon in contributing to thermal expansion, thermal conductivity and other thermodynamic properties, is required to be investigated. This paper focuses more on thermal expansion. Some others results like phonon dispersion, Grüneisenparameters and bulk modulus,which are essential to estimation of thermal expansion, are also presented. The dynamical matrix was calculated using VASP code using both DFT and DFPT and the phonon frequencies were calculated using phonopy code under harmonic approximation. The linear thermal expansion coefficient of graphene is found to bemore » strongly dependent on temperature but remains negative upto 470 K and positive thereafter, with a room temperature value of −1.44×10{sup −6}. The negative expansion coefficient is very interesting and is found to be in conformity with experimental as well as with recent theoretical estimates. There is only qualitative agreement of our results with experimental data and motivates further investigation, primarily on the high negative values of Grüneisen parameters.« less

Single-Sided Noinvasive Inspection of Multielement Sample Using Fan-Beam Multiplexed Compton Scatter Tomography

DTIC Science & Technology

2000-05-01

a vector , ρ "# represents the set of voxel densities sorted into a vector , and ( )A ρ $# "# represents a 8 mapping of the voxel densities to...density vector in equation (4) suggests that solving for ρ "# by direct inversion is not possible, calling for an iterative technique beginning with...the vector of measured spectra, and D is the diagonal matrix of the inverse of the variances. The diagonal matrix provides weighting terms, which

Ecosystem consequences of regional pinyon mortality

Treesearch

Michael J. Clifford

2008-01-01

Pinyon-juniper (Pinus edulis - Juniperus spp.) woodlands in the American Southwest have expanded in many areas since the late Nineteenth century. Woodland expansion has occurred in both, extent and increasing stand density. Expansion of woodlands has been attributed to reduced fire frequency, increased ungulate grazing, and changes...

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

PubMed

Gaus, Michael; Cui, Qiang; Elstner, Marcus

2012-04-10

The self-consistent-charge density-functional tight-binding method (SCC-DFTB) is an approximate quantum chemical method derived from density functional theory (DFT) based on a second-order expansion of the DFT total energy around a reference density. In the present study we combine earlier extensions and improve them consistently with, first, an improved Coulomb interaction between atomic partial charges, and second, the complete third-order expansion of the DFT total energy. These modifications lead us to the next generation of the DFTB methodology called DFTB3, which substantially improves the description of charged systems containing elements C, H, N, O, and P, especially regarding hydrogen binding energies and proton affinities. As a result, DFTB3 is particularly applicable to biomolecular systems. Remaining challenges and possible solutions are also briefly discussed.

Deblurring of Class-Averaged Images in Single-Particle Electron Microscopy.

PubMed

Park, Wooram; Madden, Dean R; Rockmore, Daniel N; Chirikjian, Gregory S

2010-03-01

This paper proposes a method for deblurring of class-averaged images in single-particle electron microscopy (EM). Since EM images of biological samples are very noisy, the images which are nominally identical projection images are often grouped, aligned and averaged in order to cancel or reduce the background noise. However, the noise in the individual EM images generates errors in the alignment process, which creates an inherent limit on the accuracy of the resulting class averages. This inaccurate class average due to the alignment errors can be viewed as the result of a convolution of an underlying clear image with a blurring function. In this work, we develop a deconvolution method that gives an estimate for the underlying clear image from a blurred class-averaged image using precomputed statistics of misalignment. Since this convolution is over the group of rigid body motions of the plane, SE(2), we use the Fourier transform for SE(2) in order to convert the convolution into a matrix multiplication in the corresponding Fourier space. For practical implementation we use a Hermite-function-based image modeling technique, because Hermite expansions enable lossless Cartesian-polar coordinate conversion using the Laguerre-Fourier expansions, and Hermite expansion and Laguerre-Fourier expansion retain their structures under the Fourier transform. Based on these mathematical properties, we can obtain the deconvolution of the blurred class average using simple matrix multiplication. Tests of the proposed deconvolution method using synthetic and experimental EM images confirm the performance of our method.

A finite element code for modelling tracer transport in a non-isothermal two-phase flow system for CO2 geological storage characterization

NASA Astrophysics Data System (ADS)

Tong, F.; Niemi, A. P.; Yang, Z.; Fagerlund, F.; Licha, T.; Sauter, M.

2011-12-01

This paper presents a new finite element method (FEM) code for modeling tracer transport in a non-isothermal two-phase flow system. The main intended application is simulation of the movement of so-called novel tracers for the purpose of characterization of geologically stored CO2 and its phase partitioning and migration in deep saline formations. The governing equations are based on the conservation of mass and energy. Among the phenomena accounted for are liquid-phase flow, gas flow, heat transport and the movement of the novel tracers. The movement of tracers includes diffusion and the advection associated with the gas and liquid flow. The temperature, gas pressure, suction, concentration of tracer in liquid phase and concentration of tracer in gas phase are chosen as the five primary variables. Parameters such as the density, viscosity, thermal expansion coefficient are expressed in terms of the primary variables. The governing equations are discretized in space using the Galerkin finite element formulation, and are discretized in time by one-dimensional finite difference scheme. This leads to an ill-conditioned FEM equation that has many small entries along the diagonal of the non-symmetric coefficient matrix. In order to deal with the problem of non-symmetric ill-conditioned matrix equation, special techniques are introduced . Firstly, only nonzero elements of the matrix need to be stored. Secondly, it is avoided to directly solve the whole large matrix. Thirdly, a strategy has been used to keep the diversity of solution methods in the calculation process. Additionally, an efficient adaptive mesh technique is included in the code in order to track the wetting front. The code has been validated against several classical analytical solutions, and will be applied for simulating the CO2 injection experiment to be carried out at the Heletz site, Israel, as part of the EU FP7 project MUSTANG.

Matrix density alters zyxin phosphorylation, which limits peripheral process formation and extension in endothelial cells invading 3D collagen matrices.

PubMed

Abbey, Colette A; Bayless, Kayla J

2014-09-01

This study was designed to determine the optimal conditions required for known pro-angiogenic stimuli to elicit successful endothelial sprouting responses. We used an established, quantifiable model of endothelial cell (EC) sprout initiation where ECs were tested for invasion in low (1 mg/mL) and high density (5 mg/mL) 3D collagen matrices. Sphingosine 1-phosphate (S1P) alone, or S1P combined with stromal derived factor-1α (SDF) and phorbol ester (TPA), elicited robust sprouting responses. The ability of these factors to stimulate sprouting was more effective in higher density collagen matrices. S1P stimulation resulted in a significant increase in invasion distance, and with the exception of treatment groups containing phorbol ester, invasion distance was longer in 1mg/mL compared to 5mg/mL collagen matrices. Closer examination of cell morphology revealed that increasing matrix density and supplementing with SDF and TPA enhanced the formation of multicellular structures more closely resembling capillaries. TPA enhanced the frequency and size of lumen formation and correlated with a robust increase in phosphorylation of p42/p44 Erk kinase, while S1P and SDF did not. Also, a higher number of significantly longer extended processes formed in 5mg/mL compared to 1mg/mL collagen matrices. Because collagen matrices at higher density have been reported to be stiffer, we tested for changes in the mechanosensitive protein, zyxin. Interestingly, zyxin phosphorylation levels inversely correlated with matrix density, while levels of total zyxin did not change significantly. Immunofluorescence and localization studies revealed that total zyxin was distributed evenly throughout invading structures, while phosphorylated zyxin was slightly more intense in extended peripheral processes. Silencing zyxin expression increased extended process length and number of processes, while increasing zyxin levels decreased extended process length. Altogether these data indicate that ECs integrate signals from multiple exogenous factors, including changes in matrix density, to accomplish successful sprouting responses. We show here for the first time that zyxin limited the formation and extension of fine peripheral processes used by ECs for matrix interrogation, providing a molecular explanation for altered EC responses to high and low density collagen matrices. Copyright © 2014 International Society of Matrix Biology. Published by Elsevier B.V. All rights reserved.

Micro-mechanics of fiber reinforced bounded and unbounded solids: effective local and non-local thermo-elastic properties, stress concentration factors, and edge effect

DTIC Science & Technology

2005-07-01

second order tensors of local eigenstresses and eigenstrains (transformation fields) which may arise by thermal expansion, plastic deformation, phase...with properties different from those of the homogeneous matrix) can be related to specified eigenstrain *( )e x by replacing the inhomogeneities...homogeneous matrix material only. rλ and mλ could be isotropic or anisotropic if the eigenstrain field *( )e x is uniform in Iv . So the strain at

Thermal-vacuum response of polymer matrix composites in space

NASA Technical Reports Server (NTRS)

Tennyson, R. C.; Matthews, R.

1993-01-01

This report describes a thermal-vacuum outgassing model and test protocol for predicting outgassing times and dimensional changes for polymer matrix composites. Experimental results derived from 'control' samples are used to provide the basis for analytical predictions to compare with the outgassing response of Long Duration Exposure Facility (LDEF) flight samples. Coefficient of thermal expansion (CTE) data are also presented. In addition, an example is given illustrating the dimensional change of a 'zero' CTE laminate due to moisture outgassing.

Spin-adapted matrix product states and operators

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

Keller, Sebastian, E-mail: sebastian.keller@phys.chem.ethz.ch; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

Matrix product states (MPSs) and matrix product operators (MPOs) allow an alternative formulation of the density matrix renormalization group algorithm introduced by White. Here, we describe how non-abelian spin symmetry can be exploited in MPSs and MPOs by virtue of the Wigner–Eckart theorem at the example of the spin-adapted quantum chemical Hamiltonian operator.

Spatial analysis of rural land development

Treesearch

Seong-Hoon Cho; David H. Newman

2005-01-01

This article examines patterns of rural land development and density using spatial econometric models with the application of Geographical Information System (GIS). The cluster patterns of both development and high-density development indicate that the spatially continuous expansions of development and high-density development exist in relatively remote rural areas....

Floating matrix tablets based on low density foam powder: effects of formulation and processing parameters on drug release.

PubMed

Streubel, A; Siepmann, J; Bodmeier, R

2003-01-01

The aim of this study was to develop and physicochemically characterize single unit, floating controlled drug delivery systems consisting of (i). polypropylene foam powder, (ii). matrix-forming polymer(s), (iii). drug, and (iv). filler (optional). The highly porous foam powder provided low density and, thus, excellent in vitro floating behavior of the tablets. All foam powder-containing tablets remained floating for at least 8 h in 0.1 N HCl at 37 degrees C. Different types of matrix-forming polymers were studied: hydroxypropyl methylcellulose (HPMC), polyacrylates, sodium alginate, corn starch, carrageenan, gum guar and gum arabic. The tablets eroded upon contact with the release medium, and the relative importance of drug diffusion, polymer swelling and tablet erosion for the resulting release patterns varied significantly with the type of matrix former. The release rate could effectively be modified by varying the "matrix-forming polymer/foam powder" ratio, the initial drug loading, the tablet geometry (radius and height), the type of matrix-forming polymer, the use of polymer blends and the addition of water-soluble or water-insoluble fillers (such as lactose or microcrystalline cellulose). The floating behavior of the low density drug delivery systems could successfully be combined with accurate control of the drug release patterns.

Improved Dielectric Properties and Energy Storage Density of Poly(vinylidene fluoride-co-hexafluoropropylene) Nanocomposite with Hydantoin Epoxy Resin Coated BaTiO3.

PubMed

Luo, Hang; Zhang, Dou; Jiang, Chao; Yuan, Xi; Chen, Chao; Zhou, Kechao

2015-04-22

Energy storage materials are urgently demanded in modern electric power supply and renewable energy systems. The introduction of inorganic fillers to polymer matrix represents a promising avenue for the development of high energy density storage materials, which combines the high dielectric constant of inorganic fillers with supernal dielectric strength of polymer matrix. However, agglomeration and phase separation of inorganic fillers in the polymer matrix remain the key barriers to promoting the practical applications of the composites for energy storage. Here, we developed a low-cost and environmentally friendly route to modifying BaTiO3 (BT) nanoparticles by a kind of water-soluble hydantoin epoxy resin. The modified BT nanoparticles exhibited homogeneous dispersion in the ferroelectric polymer poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) matrix and strong interfacial adhesion with the polymer matrix. The dielectric constants of the nanocomposites increased significantly with the increase of the coated BT loading, while the dielectric loss of the nanocomposites was still as low as that of the pure P(VDF-HFP). The energy storage density of the nanocomposites was largely enhanced with the coated BT loading at the same electric field. The nanocomposite with 20 vol % BT exhibited an estimated maximum energy density of 8.13 J cm(-3), which was much higher than that of pure P(VDF-HFP) and other dielectric polymers. The findings of this research could provide a feasible approach to produce high energy density materials for practical application in energy storage.

The Expansion Segments of 28S Ribosomal RNA Extensively Match Human Messenger RNAs

PubMed Central

Parker, Michael S.; Balasubramaniam, Ambikaipakan; Sallee, Floyd R.; Parker, Steven L.

2018-01-01

Eukaryote ribosomal RNAs (rRNAs) have expanded in the course of phylogeny by addition of nucleotides in specific insertion areas, the expansion segments. These number about 40 in the larger (25–28S) rRNA (up to 2,400 nucleotides), and about 12 in the smaller (18S) rRNA (<700 nucleotides). Expansion of the larger rRNA shows a clear phylogenetic increase, with a dramatic rise in mammals and especially in hominids. Substantial portions of expansion segments in this RNA are not bound to ribosomal proteins, and may engage extraneous interactants, including messenger RNAs (mRNAs). Studies on the ribosome-mRNA interaction have focused on proteins of the smaller ribosomal subunit, with some examination of 18S rRNA. However, the expansion segments of human 28S rRNA show much higher density and numbers of mRNA matches than those of 18S rRNA, and also a higher density and match numbers than its own core parts. We have studied that with frequent and potentially stable matches containing 7–15 nucleotides. The expansion segments of 28S rRNA average more than 50 matches per mRNA even assuming only 5% of their sequence as available for such interaction. Large expansion segments 7, 15, and 27 of 28S rRNA also have copious long (≥10-nucleotide) matches to most human mRNAs, with frequencies much higher than in other 28S rRNA parts. Expansion segments 7 and 27 and especially segment 15 of 28S rRNA show large size increase in mammals compared to other metazoans, which could reflect a gain of function related to interaction with non-ribosomal partners. The 28S rRNA expansion segment 15 shows very high increments in size, guanosine, and cytidine nucleotide content and mRNA matching in mammals, and especially in hominids. With these segments (but not with other 28S rRNA or any 18S rRNA expansion segments) the density and number of matches are much higher in 5′-terminal than in 3′-terminal untranslated mRNA regions, which may relate to mRNA mobilization via 5′ termini. Matches in the expansion segments 7, 15, and 27 of human 28S rRNA appear as candidates for general interaction with mRNAs, especially those associated with intracellular matrices such as the endoplasmic reticulum. PMID:29563925

Control of thermal expansion in a low-density framework modification of silicon

NASA Astrophysics Data System (ADS)

Beekman, Matt; Kaduk, James A.; Wong-Ng, Winnie; Troesch, Michael; Lee, Glenn S.; Nolas, George S.

2018-04-01

The low-density clathrate-II modification of silicon, Si136, contains two distinct cage-like voids large enough to accommodate various types of guest atoms which influence both the host structure and its properties. Although the linear coefficient of thermal expansion of Si136 (293 K < T < 423 K) is only about 20% larger than that of the ground state α-Si (diamond structure), the coefficient of thermal expansion monotonically increases by more than 150% upon filling the framework cages with Na atoms in NaxSi136 (0 < x < 24), ranging from α = 2.6 × 10-6 K-1 (x = 0) to 6.8 × 10-6 K-1 (extrapolated to x = 24) by only varying the Na content, x. Taken together with the available heat capacity and bulk modulus data, the dramatic increase in thermal expansion can be attributed to an increase in the mode-averaged Grüneisen parameter by a factor of nearly 3 from x = 0 to x = 24. These results highlight a potential mechanism for tuning thermal expansion, whereby guest atoms are incorporated into the voids of rigid, covalently bonded inorganic frameworks to influence the lattice dynamics.

Accounting for Debye sheath expansion for proud Langmuir probes in magnetic confinement fusion plasmas.

PubMed

Tsui, C K; Boedo, J A; Stangeby, P C

2018-01-01

A Child-Langmuir law-based method for accounting for Debye sheath expansion while fitting the current-voltage I-V characteristic of proud Langmuir probes (electrodes that extend into the volume of the plasma) is described. For Langmuir probes of a typical size used in tokamak plasmas, these new estimates of electron temperature and ion saturation current density values decreased by up to 60% compared to methods that did not account for sheath expansion. Changes to the collection area are modeled using the Child-Langmuir law and effective expansion perimeter l p , and the model is thus referred to as the "perimeter sheath expansion method." l p is determined solely from electrode geometry, so the method may be employed without prior measurement of the magnitude of the sheath expansion effects for a given Langmuir probe and can be used for electrodes of different geometries. This method correctly predicts the non-saturating ΔI/ΔV slope for cold, low-density plasmas where sheath-expansion effects are strong, as well as for hot plasmas where ΔI/ΔV ∼ 0, though it is shown that the sheath can still significantly affect the collection area in these hot conditions. The perimeter sheath expansion method has several advantages compared to methods where the non-saturating current is fitted: (1) It is more resilient to scatter in the I-V characteristics observed in turbulent plasmas. (2) It is able to separate the contributions to the ΔI/ΔV slope from sheath expansion to that of the high energy electron tail in high Te conditions. (3) It calculates the change in the collection area due to the Debye sheath for conditions where ΔI/ΔV ∼ 0 and for V = V f .

Accounting for Debye sheath expansion for proud Langmuir probes in magnetic confinement fusion plasmas

NASA Astrophysics Data System (ADS)

Tsui, C. K.; Boedo, J. A.; Stangeby, P. C.; TCV Team

2018-01-01

A Child-Langmuir law-based method for accounting for Debye sheath expansion while fitting the current-voltage I-V characteristic of proud Langmuir probes (electrodes that extend into the volume of the plasma) is described. For Langmuir probes of a typical size used in tokamak plasmas, these new estimates of electron temperature and ion saturation current density values decreased by up to 60% compared to methods that did not account for sheath expansion. Changes to the collection area are modeled using the Child-Langmuir law and effective expansion perimeter lp, and the model is thus referred to as the "perimeter sheath expansion method." lp is determined solely from electrode geometry, so the method may be employed without prior measurement of the magnitude of the sheath expansion effects for a given Langmuir probe and can be used for electrodes of different geometries. This method correctly predicts the non-saturating ΔI/ΔV slope for cold, low-density plasmas where sheath-expansion effects are strong, as well as for hot plasmas where ΔI/ΔV ˜ 0, though it is shown that the sheath can still significantly affect the collection area in these hot conditions. The perimeter sheath expansion method has several advantages compared to methods where the non-saturating current is fitted: (1) It is more resilient to scatter in the I-V characteristics observed in turbulent plasmas. (2) It is able to separate the contributions to the ΔI/ΔV slope from sheath expansion to that of the high energy electron tail in high Te conditions. (3) It calculates the change in the collection area due to the Debye sheath for conditions where ΔI/ΔV ˜ 0 and for V = Vf.

Interactive application of quadratic expansion of chi-square statistic to nonlinear curve fitting

NASA Technical Reports Server (NTRS)

Badavi, F. F.; Everhart, Joel L.

1987-01-01

This report contains a detailed theoretical description of an all-purpose, interactive curve-fitting routine that is based on P. R. Bevington's description of the quadratic expansion of the Chi-Square statistic. The method is implemented in the associated interactive, graphics-based computer program. Taylor's expansion of Chi-Square is first introduced, and justifications for retaining only the first term are presented. From the expansion, a set of n simultaneous linear equations is derived, then solved by matrix algebra. A brief description of the code is presented along with a limited number of changes that are required to customize the program of a particular task. To evaluate the performance of the method and the goodness of nonlinear curve fitting, two typical engineering problems are examined and the graphical and tabular output of each is discussed. A complete listing of the entire package is included as an appendix.

Tuning three-dimensional collagen matrix stiffness independently of collagen concentration modulates endothelial cell behavior.

PubMed

Mason, Brooke N; Starchenko, Alina; Williams, Rebecca M; Bonassar, Lawrence J; Reinhart-King, Cynthia A

2013-01-01

Numerous studies have described the effects of matrix stiffening on cell behavior using two-dimensional synthetic surfaces; however, less is known about the effects of matrix stiffening on cells embedded in three-dimensional in vivo-like matrices. A primary limitation in investigating the effects of matrix stiffness in three dimensions is the lack of materials that can be tuned to control stiffness independently of matrix density. Here, we use collagen-based scaffolds where the mechanical properties are tuned using non-enzymatic glycation of the collagen in solution, prior to polymerization. Collagen solutions glycated prior to polymerization result in collagen gels with a threefold increase in compressive modulus without significant changes to the collagen architecture. Using these scaffolds, we show that endothelial cell spreading increases with matrix stiffness, as does the number and length of angiogenic sprouts and the overall spheroid outgrowth. Differences in sprout length are maintained even when the receptor for advanced glycation end products is inhibited. Our results demonstrate the ability to de-couple matrix stiffness from matrix density and structure in collagen gels, and that increased matrix stiffness results in increased sprouting and outgrowth. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Radiation effects in a glass-ceramic (Zerodur)

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

Koumvakalis, N.; Jani, M.G.; Halliburton, L.E.

1985-04-01

Zerodur is a low-expansion glass-ceramic with important applications in laser-gyro guidance systems. The material contains by weight 70-75% crystalline quartz in the form of crystallites approximately 50 nm in diameter which are embedded in a glass matrix. The glass-crystal ratio is adjusted so that the resultant expansion coefficient at room temperature is near zero. Ionizing radiation causes numerous effects in Zerodur. The most obvious is a change in the optical absorption, and this will have possible consequences in the thermal expansion behavior. Thus, characterization of radiation-induced defects will help solve problems affecting Zerodur's performance in guidance systems and will providemore » an understanding of the basic properties of this unique class of materials.« less

Synthesis of Zr2WP2O12/ZrO2 Composites with Adjustable Thermal Expansion.

PubMed

Zhang, Zhiping; Sun, Weikang; Liu, Hongfei; Xie, Guanhua; Chen, Xiaobing; Zeng, Xianghua

2017-01-01

Zr 2 WP 2 O 12 /ZrO 2 composites were fabricated by solid state reaction with the goal of tailoring the thermal expansion coefficient. XRD, SEM and TMA were used to investigate the composition, microstructure, and thermal expansion behavior of Zr 2 WP 2 O 12 /ZrO 2 composites with different mass ratio. Relative densities of all the resulting Zr 2 WP 2 O 12 /ZrO 2 samples were also tested by Archimedes' methods. The obtained Zr 2 WP 2 O 12 /ZrO 2 composites were comprised of orthorhombic Zr 2 WP 2 O 12 and monoclinic ZrO 2 . As the increase of the Zr 2 WP 2 O 12 , the relative densities of Zr 2 WP 2 O 12 /ZrO 2 ceramic composites increased gradually. The coefficient of thermal expansion of the Zr 2 WP 2 O 12 /ZrO 2 composites can be tailored from 4.1 × 10 -6 K -1 to -3.3 × 10 -6 K -1 by changing the content of Zr 2 WP 2 O 12 . The 2:1 Zr 2 WP 2 O 12 /ZrO 2 specimen shows close to zero thermal expansion from 25 to 700°C with an average linear thermal expansion coefficient of -0.09 × 10 -6 K -1 . These adjustable and near zero expansion ceramic composites will have great potential application in many fields.

Frequency domain system identification of helicopter rotor dynamics incorporating models with time periodic coefficients

NASA Astrophysics Data System (ADS)

Hwang, Sunghwan

1997-08-01

One of the most prominent features of helicopter rotor dynamics in forward flight is the periodic coefficients in the equations of motion introduced by the rotor rotation. The frequency response characteristics of such a linear time periodic system exhibits sideband behavior, which is not the case for linear time invariant systems. Therefore, a frequency domain identification methodology for linear systems with time periodic coefficients was developed, because the linear time invariant theory cannot account for sideband behavior. The modulated complex Fourier series was introduced to eliminate the smearing effect of Fourier series expansions of exponentially modulated periodic signals. A system identification theory was then developed using modulated complex Fourier series expansion. Correlation and spectral density functions were derived using the modulated complex Fourier series expansion for linear time periodic systems. Expressions of the identified harmonic transfer function were then formulated using the spectral density functions both with and without additive noise processes at input and/or output. A procedure was developed to identify parameters of a model to match the frequency response characteristics between measured and estimated harmonic transfer functions by minimizing an objective function defined in terms of the trace of the squared frequency response error matrix. Feasibility was demonstrated by the identification of the harmonic transfer function and parameters for helicopter rigid blade flapping dynamics in forward flight. This technique is envisioned to satisfy the needs of system identification in the rotating frame, especially in the context of individual blade control. The technique was applied to the coupled flap-lag-inflow dynamics of a rigid blade excited by an active pitch link. The linear time periodic technique results were compared with the linear time invariant technique results. Also, the effect of noise processes and initial parameter guess on the identification procedure were investigated. To study the effect of elastic modes, a rigid blade with a trailing edge flap excited by a smart actuator was selected and system parameters were successfully identified, but with some expense of computational storage and time. Conclusively, the linear time periodic technique substantially improved the identified parameter accuracy compared to the linear time invariant technique. Also, the linear time periodic technique was robust to noises and initial guess of parameters. However, an elastic mode of higher frequency relative to the system pumping frequency tends to increase the computer storage requirement and computing time.

Variational second order density matrix study of F3-: importance of subspace constraints for size-consistency.

PubMed

van Aggelen, Helen; Verstichel, Brecht; Bultinck, Patrick; Van Neck, Dimitri; Ayers, Paul W; Cooper, David L

2011-02-07

Variational second order density matrix theory under "two-positivity" constraints tends to dissociate molecules into unphysical fractionally charged products with too low energies. We aim to construct a qualitatively correct potential energy surface for F(3)(-) by applying subspace energy constraints on mono- and diatomic subspaces of the molecular basis space. Monoatomic subspace constraints do not guarantee correct dissociation: the constraints are thus geometry dependent. Furthermore, the number of subspace constraints needed for correct dissociation does not grow linearly with the number of atoms. The subspace constraints do impose correct chemical properties in the dissociation limit and size-consistency, but the structure of the resulting second order density matrix method does not exactly correspond to a system of noninteracting units.

Confinement of anomalous liquids in nanoporous matrices.

PubMed

Strekalova, Elena G; Luo, Jiayuan; Stanley, H Eugene; Franzese, Giancarlo; Buldyrev, Sergey V

2012-09-07

Using molecular dynamics simulations, we investigate the effects of different nanoconfinements on complex liquids-e.g., colloids or protein solutions-with density anomalies and a liquid-liquid phase transition (LLPT). In all the confinements, we find a strong depletion effect with a large increase in liquid density near the confining surface. If the nanoconfinement is modeled by an ordered matrix of nanoparticles, we find that the anomalies are preserved. On the contrary, if the confinement is modeled by a disordered matrix of nanoparticles, we find a drastically different phase diagram: the LLPT shifts to lower pressures and temperatures, and the anomalies become weaker, as the disorder increases. We find that the density heterogeneities induced by the disordered matrix are responsible for the weakening of the LLPT and the disappearance of the anomalies.

Quantum Effects at a Proton Relaxation at Low Temperatures

NASA Astrophysics Data System (ADS)

Kalytka, V. A.; Korovkin, M. V.

2016-11-01

Quantum effects during migratory polarization in multi-well crystals (including multi-well silicates and crystalline hydrates) are investigated in a variable electric field at low temperatures by direct quantum-mechanical calculations. Based on analytical solution of the quantum Liouville kinetic equation in the linear approximation for the polarizing field, the non-stationary density matrix is calculated for an ensemble of non-interacting protons moving in the field of one-dimensional multi-well crystal potential relief of rectangular shape. An expression for the complex dielectric constant convenient for a comparison with experiment and calculation of relaxer parameters is derived using the nonequilibrium polarization density matrix. The density matrix apparatus can be used for analytical investigation of the quantum mechanism of spontaneous polarization of a ferroelectric material (KDP and DKDP).

Convergent close-coupling approach to positron scattering on He+★

NASA Astrophysics Data System (ADS)

Rawlins, Charlie M.; Kadyrov, Alisher S.; Bray, Igor

2018-05-01

A close-coupling method is used to generate electron-loss and total scattering cross sections for the first three partial waves with both a single-centre and two-centre expansion of the scattering wave function for positron scattering on He +. The two expansions are consistent with each other above the ionisation threshold verifying newly-developed positronium-formation matrix elements. Below the positronium-formation threshold both the single- and two-centre results agree with the elastic-scattering cross sections generated from the phase shifts reported in previous calculations.

Fiberglass Material Specification Test Support

DTIC Science & Technology

1985-09-27

samples show a significant penetration at 600 C followed by expansion of the glass-filled matrix. One expected cause for such behavior would be that...but instead showed only an expansion after 60 0 C. This behavior could be interpreted as the presence of glass fiber at or near the surface of the...wan opp4od by Wash (70/m 42 setome wes cosumed in Phue I -sIf duplicate ^- 0,5am 0"• layer). T1 Olcost Was allowed to cu to 8 espoimus. 2 not oyam, aid

Hybrid reconstruction of quantum density matrix: when low-rank meets sparsity

NASA Astrophysics Data System (ADS)

Li, Kezhi; Zheng, Kai; Yang, Jingbei; Cong, Shuang; Liu, Xiaomei; Li, Zhaokai

2017-12-01

Both the mathematical theory and experiments have verified that the quantum state tomography based on compressive sensing is an efficient framework for the reconstruction of quantum density states. In recent physical experiments, we found that many unknown density matrices in which people are interested in are low-rank as well as sparse. Bearing this information in mind, in this paper we propose a reconstruction algorithm that combines the low-rank and the sparsity property of density matrices and further theoretically prove that the solution of the optimization function can be, and only be, the true density matrix satisfying the model with overwhelming probability, as long as a necessary number of measurements are allowed. The solver leverages the fixed-point equation technique in which a step-by-step strategy is developed by utilizing an extended soft threshold operator that copes with complex values. Numerical experiments of the density matrix estimation for real nuclear magnetic resonance devices reveal that the proposed method achieves a better accuracy compared to some existing methods. We believe that the proposed method could be leveraged as a generalized approach and widely implemented in the quantum state estimation.

Quantum non-Abelian hydrodynamics: Anyonic or spin-orbital entangled liquids, nonunitarity of scattering matrix and charge fractionalization

NASA Astrophysics Data System (ADS)

Pareek, Tribhuvan Prasad

2015-09-01

In this article, we develop an exact (nonadiabatic, nonperturbative) density matrix scattering theory for a two component quantum liquid which interacts or scatters off from a generic spin-dependent quantum potential. The generic spin dependent quantum potential [Eq. (1)] is a matrix potential, hence, adiabaticity criterion is ill-defined. Therefore the full matrix potential should be treated nonadiabatically. We succeed in doing so using the notion of vectorial matrices which allows us to obtain an exact analytical expression for the scattered density matrix (SDM), ϱsc [Eq. (30)]. We find that the number or charge density in scattered fluid, Tr(ϱsc), expressions in Eqs. (32) depends on nontrivial quantum interference coefficients, Qα β 0ijk, which arises due to quantum interference between spin-independent and spin-dependent scattering amplitudes and among spin-dependent scattering amplitudes. Further it is shown that Tr(ϱsc) can be expressed in a compact form [Eq. (39)] where the effect of quantum interference coefficients can be included using a vector Qαβ, which allows us to define a vector order parameterQ. Since the number density is obtained using an exact scattered density matrix, therefore, we do not need to prove that Q is non-zero. However, for sake of completeness, we make detailed mathematical analysis for the conditions under which the vector order parameterQ would be zero or nonzero. We find that in presence of spin-dependent interaction the vector order parameterQ is necessarily nonzero and is related to the commutator and anti-commutator of scattering matrix S with its dagger S† [Eq. (78)]. It is further shown that Q≠0, implies four physically equivalent conditions,i.e., spin-orbital entanglement is nonzero, non-Abelian scattering phase, i.e., matrices, scattering matrix is nonunitary and the broken time reversal symmetry for SDM. This also implies that quasi particle excitation are anyonic in nature, hence, charge fractionalization is a natural consequence. This aspect has also been discussed from the perspective of number or charge density conservation, which implies i.e., Tr(ϱ} sc) = Tr(ϱin). On the other hand Q = 0 turns out to be a mathematically forced unphysical solution in presence of spin-dependent potential or scattering which is equivalent to Abelian hydrodynamics, unitary scattering matrix, absence of spin-space entanglement and preserved time reversal symmetry. We have formulated the theory using mesoscopic language, specifically, we have considered two terminal systems connected to spin-dependent scattering region, which is equivalent to having two potential wells separated by a generic spin-dependent potential barrier. The formulation using mesoscopic language is practically useful because it leads directly to the measured quantities such as conductance and spin-polarization density in the leads, however, the presented formulation is not limited to the mesoscopic system only, its generality has been stressed at various places in this article.

Generation of Stationary Non-Gaussian Time Histories with a Specified Cross-spectral Density

DOE PAGES

Smallwood, David O.

1997-01-01

The paper reviews several methods for the generation of stationary realizations of sampled time histories with non-Gaussian distributions and introduces a new method which can be used to control the cross-spectral density matrix and the probability density functions (pdfs) of the multiple input problem. Discussed first are two methods for the specialized case of matching the auto (power) spectrum, the skewness, and kurtosis using generalized shot noise and using polynomial functions. It is then shown that the skewness and kurtosis can also be controlled by the phase of a complex frequency domain description of the random process. The general casemore » of matching a target probability density function using a zero memory nonlinear (ZMNL) function is then covered. Next methods for generating vectors of random variables with a specified covariance matrix for a class of spherically invariant random vectors (SIRV) are discussed. Finally the general case of matching the cross-spectral density matrix of a vector of inputs with non-Gaussian marginal distributions is presented.« less

A Lagrangian discontinuous Galerkin hydrodynamic method

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

Liu, Xiaodong; Morgan, Nathaniel Ray; Burton, Donald E.

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for solving the two-dimensional gas dynamic equations on unstructured hybrid meshes. The physical conservation laws for the momentum and total energy are discretized using a DG method based on linear Taylor expansions. Three different approaches are investigated for calculating the density variation over the element. The first approach evolves a Taylor expansion of the specific volume field. The second approach follows certain finite element methods and uses the strong mass conservation to calculate the density field at a location inside the element or on the element surface. The thirdmore » approach evolves a Taylor expansion of the density field. The nodal velocity, and the corresponding forces, are explicitly calculated by solving a multidirectional approximate Riemann problem. An effective limiting strategy is presented that ensures monotonicity of the primitive variables. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. Results from a suite of test problems are presented to demonstrate the robustness and expected second-order accuracy of this new method.« less

A study of single and binary ion plasma expansion into laboratory-generated plasma wakes

NASA Technical Reports Server (NTRS)

Wright, Kenneth Herbert, Jr.

1988-01-01

Plasma expansion into the wake of a large rectangular plate immersed in a collisionless, supersonic plasma was investigated in laboratory experiments. The experimental conditions address both single ion and binary ion plasma flows for the case of a body whose size is large in comparison with the Debye length, when the potential difference between the body and the plasma is relatively small. A new plasma source was developed to generate equi-velocity, binary ion plasma flows, which allows access to new parameter space that have previously been unavailable for laboratory studies. Specifically, the new parameters are the ionic mass ratio and the ionic component density ratio. In a series of experiments, a krypton-neon plasma is employed where the ambient density ratio of neon to krypton is varied more than an order of magnitude. The expansion in both the single ion and binary ion plasma cases is limited to early times, i.e., a few ion plasma periods, by the combination of plasma density, plasma drift speed, and vacuum chamber size, which prevented detailed comparison with self-similar theory.

Pilot model expansion tunnel test flow properties obtained from velocity, pressure, and probe measurements

NASA Technical Reports Server (NTRS)

Friesen, W. J.; Moore, J. A.

1973-01-01

Velocity-profile, pitot-pressure, and supplemental probe measurements were made at the nozzle exist of an expansion tunnel (a modification to the Langley pilot model expansion tube) for a nozzle net condition of a nitrogen test sample with a velocity of 4.5 km/sec and a density 0.005 times the density of nitrogen at standard conditions, both with the nozzle initially immersed in a helium atmosphere and with the nozzle initially evacuated. The purpose of the report is to present the results of these measurements and some of the physical properties of the nitrogen test sample which can be inferred from the measured results. The main conclusions reached are that: the velocity profiles differ for two nozzle conditions; regions of the flow field can be found where the velocity is uniform to within 5 percent and constant for several hundred microseconds; the velocity of the nitrogen test sample is reduced due to passage through the nozzle; and the velocity profiles do not significantly reflect the large variations which occur in the inferred density profiles.

A Lagrangian discontinuous Galerkin hydrodynamic method

DOE PAGES

Liu, Xiaodong; Morgan, Nathaniel Ray; Burton, Donald E.

2017-12-11

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for solving the two-dimensional gas dynamic equations on unstructured hybrid meshes. The physical conservation laws for the momentum and total energy are discretized using a DG method based on linear Taylor expansions. Three different approaches are investigated for calculating the density variation over the element. The first approach evolves a Taylor expansion of the specific volume field. The second approach follows certain finite element methods and uses the strong mass conservation to calculate the density field at a location inside the element or on the element surface. The thirdmore » approach evolves a Taylor expansion of the density field. The nodal velocity, and the corresponding forces, are explicitly calculated by solving a multidirectional approximate Riemann problem. An effective limiting strategy is presented that ensures monotonicity of the primitive variables. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. Results from a suite of test problems are presented to demonstrate the robustness and expected second-order accuracy of this new method.« less

Wetlands inform how climate extremes influence surface water expansion and contraction

NASA Astrophysics Data System (ADS)

Vanderhoof, Melanie K.; Lane, Charles R.; McManus, Michael G.; Alexander, Laurie C.; Christensen, Jay R.

2018-03-01

Effective monitoring and prediction of flood and drought events requires an improved understanding of how and why surface water expansion and contraction in response to climate varies across space. This paper sought to (1) quantify how interannual patterns of surface water expansion and contraction vary spatially across the Prairie Pothole Region (PPR) and adjacent Northern Prairie (NP) in the United States, and (2) explore how landscape characteristics influence the relationship between climate inputs and surface water dynamics. Due to differences in glacial history, the PPR and NP show distinct patterns in regards to drainage development and wetland density, together providing a diversity of conditions to examine surface water dynamics. We used Landsat imagery to characterize variability in surface water extent across 11 Landsat path/rows representing the PPR and NP (images spanned 1985-2015). The PPR not only experienced a 2.6-fold greater surface water extent under median conditions relative to the NP, but also showed a 3.4-fold greater change in surface water extent between drought and deluge conditions. The relationship between surface water extent and accumulated water availability (precipitation minus potential evapotranspiration) was quantified per watershed and statistically related to variables representing hydrology-related landscape characteristics (e.g., infiltration capacity, surface storage capacity, stream density). To investigate the influence stream connectivity has on the rate at which surface water leaves a given location, we modeled stream-connected and stream-disconnected surface water separately. Stream-connected surface water showed a greater expansion with wetter climatic conditions in landscapes with greater total wetland area, but lower total wetland density. Disconnected surface water showed a greater expansion with wetter climatic conditions in landscapes with higher wetland density, lower infiltration and less anthropogenic drainage. From these findings, we can expect that shifts in precipitation and evaporative demand will have uneven effects on surface water quantity. Accurate predictions regarding the effect of climate change on surface water quantity will require consideration of hydrology-related landscape characteristics including wetland storage and arrangement.

Molecular Imaging of Matrix Metalloproteinase Activation to Predict Murine Aneurysm Expansion in vivo

PubMed Central

Razavian, Mahmoud; Zhang, Jiasheng; Nie, Lei; Tavakoli, Sina; Razavian, Niema; Dobrucki, Lawrence W.; Sinusas, Albert J.; Edwards, D. Scott; Azure, Michael; Sadeghi, Mehran M.

2010-01-01

Rupture and dissection are major causes of morbidity and mortality in arterial aneurysm and occur more frequently in rapidly expanding aneurysms. Current imaging modalities provide little information on aneurysm beyond size. MMP activation plays a key role in the pathogenesis of aneurysm. We investigated whether imaging matrix metalloproteinase (MMP) activation in aneurysm helps predict its propensity to expansion. Methods and Results Using a model of carotid aneurysm in apolipoprotein E−/− mice we demonstrate that several MMPs are expressed with distinct temporal patterns in aneurysm. Radiotracers with specificity for activated MMPs were used to detect and quantify MMP activation by microSPECT/CT imaging in vivo. Significant focal uptake was observed in aneurysmal carotid arteries, peaking at 4 weeks after aneurysm induction. Tracer uptake was confirmed by autoradiography and gamma-well counting, and specificity was demonstrated using excess unlabeled precursor and a specific MMP inhibitor. In a group of animals imaged serially at 2 and 4 weeks after aneurysm induction, MMP tracer uptake at 2 weeks correlated well with the vessel area assessed by histology at 4 weeks. Conclusions Molecular imaging of MMP activation is a useful experimental, and potentially clinical, tool to non-invasively predict an aneurysm’s propensity to expansion in vivo. PMID:20554725

Nppa and Nppb act redundantly during zebrafish cardiac development to confine AVC marker expression and reduce cardiac jelly volume.

PubMed

Grassini, Daniela R; Lagendijk, Anne K; De Angelis, Jessica E; Da Silva, Jason; Jeanes, Angela; Zettler, Nicole; Bower, Neil I; Hogan, Benjamin M; Smith, Kelly A

2018-05-11

Atrial natriuretic peptide ( nppa/anf ) and brain natriuretic peptide ( nppb/bnp ) form a gene cluster with expression in the chambers of the developing heart. Despite restricted expression, a function in cardiac development has not been demonstrated by mutant analysis. This is attributed to functional redundancy however their genomic location in cis has impeded formal analysis. Using genome-editing, we generated mutants for nppa and nppb and found single mutants indistinguishable from wildtype whereas nppa / nppb double mutants display heart morphogenesis defects and pericardial oedema. Analysis of atrioventricular canal (AVC) markers show expansion of bmp4 , tbx2b, has2 and versican expression into the atrium of double mutants. This expanded expression correlates with increased extracellular matrix in the atrium. Using a biosensor for Hyaluronic acid to measure the cardiac jelly (cardiac extracellular matrix), we confirm cardiac jelly expansion in nppa / nppb double mutants. Finally, bmp4 knockdown rescues the expansion of has2 expression and cardiac jelly in double mutants. This definitively shows that nppa and nppb function redundantly during cardiac development to restrict gene expression to the AVC, preventing excessive cardiac jelly synthesis in the atrial chamber. © 2018. Published by The Company of Biologists Ltd.

Relations among several nuclear and electronic density functional reactivity indexes

NASA Astrophysics Data System (ADS)

Torrent-Sucarrat, Miquel; Luis, Josep M.; Duran, Miquel; Toro-Labbé, Alejandro; Solà, Miquel

2003-11-01

An expansion of the energy functional in terms of the total number of electrons and the normal coordinates within the canonical ensemble is presented. A comparison of this expansion with the expansion of the energy in terms of the total number of electrons and the external potential leads to new relations among common density functional reactivity descriptors. The formulas obtained provide explicit links between important quantities related to the chemical reactivity of a system. In particular, the relation between the nuclear and the electronic Fukui functions is recovered. The connection between the derivatives of the electronic energy and the nuclear repulsion energy with respect to the external potential offers a proof for the "Quantum Chemical le Chatelier Principle." Finally, the nuclear linear response function is defined and the relation of this function with the electronic linear response function is given.

Enhanced osteoprogenitor elongated collagen fiber matrix formation by bioactive glass ionic silicon dependent on Sp7 (osterix) transcription.

PubMed

Varanasi, Venu G; Odatsu, Tetsurou; Bishop, Timothy; Chang, Joyce; Owyoung, Jeremy; Loomer, Peter M

2016-10-01

Bioactive glasses release ions, those enhance osteoblast collagen matrix synthesis and osteogenic marker expression during bone healing. Collagen matrix density and osteogenic marker expression depend on osteogenic transcription factors, (e.g., Osterix (OSX)). We hypothesize that enhanced expression and formation of collagen by Si(4+) depends on enhanced expression of OSX transcription. Experimental bioactive glass (6P53-b) and commercial Bioglass(TM) (45S5) were dissolved in basal medium to make glass conditioned medium (GCM). ICP-MS analysis was used to measure bioactive glass ion release rates. MC3T3-E1 cells were cultured for 20 days, and gene expression and extracellular matrix collagen formation was analyzed. In a separate study, siRNA was used to determine the effect of OSX knockdown on impacting the effect of Si(4+) on osteogenic markers and matrix collagen formation. Each bioactive glass exhibited similar ion release rates for all ions, except Mg(2+) released by 6P53-b. Gene expression results showed that GCM markedly enhanced many osteogenic markers, and 45S5 GCM showed higher levels of expression and collagen matrix fiber bundle density than 6P53-b GCM. Upon knockdown of OSX transcription, collagen type 5, alkaline phosphatase, and matrix density were not enhanced as compared to wild type cells. This study illustrates that the enhancement of elongated collagen fiber matrix formation by Si(±) depends on OSX transcription. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 2604-2615, 2016. © 2016 Wiley Periodicals, Inc.

Composite materials for space applications

NASA Technical Reports Server (NTRS)

Rawal, Suraj P.; Misra, Mohan S.; Wendt, Robert G.

1990-01-01

The objectives of the program were to: generate mechanical, thermal, and physical property test data for as-fabricated advanced materials; design and fabricate an accelerated thermal cycling chamber; and determine the effect of thermal cycling on thermomechanical properties and dimensional stability of composites. In the current program, extensive mechanical and thermophysical property tests of various organic matrix, metal matrix, glass matrix, and carbon-carbon composites were conducted, and a reliable database was constructed for spacecraft material selection. Material property results for the majority of the as-fabricated composites were consistent with the predicted values, providing a measure of consolidation integrity attained during fabrication. To determine the effect of thermal cycling on mechanical properties, microcracking, and thermal expansion behavior, approximately 500 composite specimens were exposed to 10,000 cycles between -150 and +150 F. These specimens were placed in a large (18 cu ft work space) thermal cycling chamber that was specially designed and fabricated to simulate one year low earth orbital (LEO) thermal cycling in 20 days. With this rate of thermal cycling, this is the largest thermal cycling unit in the country. Material property measurements of the thermal cycled organic matrix composite laminate specimens exhibited less than 24 percent decrease in strength, whereas, the remaining materials exhibited less than 8 percent decrease in strength. The thermal expansion response of each of the thermal cycled specimens revealed significant reduction in hysteresis and residual strain, and the average CTE values were close to the predicted values.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

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

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

DOE PAGES

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.; ...

2017-12-18

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Spectral function from Reduced Density Matrix Functional Theory

NASA Astrophysics Data System (ADS)

Romaniello, Pina; di Sabatino, Stefano; Berger, Jan A.; Reining, Lucia

2015-03-01

In this work we focus on the calculation of the spectral function, which determines, for example, photoemission spectra, from reduced density matrix functional theory. Starting from its definition in terms of the one-body Green's function we derive an expression for the spectral function that depends on the natural occupation numbers and on an effective energy which accounts for all the charged excitations. This effective energy depends on the two-body as well as higher-order density matrices. Various approximations to this expression are explored by using the exactly solvable Hubbard chains.

Metal hydride composition and method of making

DOEpatents

Congdon, James W.

1995-01-01

A dimensionally stable hydride composition and a method for making such a composition. The composition is made by forming particles of a metal hydride into porous granules, mixing the granules with a matrix material, forming the mixture into pellets, and sintering the pellets in the absence of oxygen. The ratio of matrix material to hydride is preferably between approximately 2:1 and 4:1 by volume. The porous structure of the granules accommodates the expansion that occurs when the metal hydride particles absorb hydrogen. The porous matrix allows the flow of hydrogen therethrough to contact the hydride particles, yet supports the granules and contains the hydride fines that result from repeated absorption/desorption cycles.

VEGF165 Stimulates Vessel Density and Vessel Diameter Differently in Angiogenesis and Lymphangiogenesis

NASA Technical Reports Server (NTRS)

Parsons-Wingerter, Patricia; Radhakrishnan, Krishnan; DiCorleto, Paul E.; Leontiev, Dmitry; Anand-Apte, Bela; Albarran, Brian; Farr, Andrew G.

2005-01-01

Vascular endothelial growth factor-165 (VEGF(sub 165)) stimulated angiogenesis in the quail chorioallantoic membrane (CAM) by vessel expansion from the capillary network. However, lymphangiogenesis was stimulated by the filopodial guidance of tip cells located on blind-ended lymphatic sprouts. As quantified by fractal/generational branching analysis using the computer code VESGEN, vascular density increased maximally at low VEGF concentrations, and vascular diameter increased most at high VEGF concentrations. Increased vascular density and diameter were statistically independent events (r(sub s), -0.06). By fluorescence immunohistochemistry of VEGF receptors VEGFR-1 and VEGFR-2, alpha smooth muscle actin ((alpha) SMA) and a vascular/lymphatic marker, VEGF(sub 165) increased the density and diameter of sprouting lymphatic vessels guided by tip cells (accompanied by the dissociation of lymphatics from blood vessels). Isolated migratory cells expressing (alpha)SMA were recruited to blood vessels, whereas isolated cells expressing VEGFR-2 were recruited primarily to lymphatics. In conclusion, VEGF(sub 165) increased lymphatic vessel density by lymphatic sprouting, but increased blood vessel density by vascular expansion from the capillary network.

Experimental and theoretical charge density studies at subatomic resolution.

PubMed

Fischer, A; Tiana, D; Scherer, W; Batke, K; Eickerling, G; Svendsen, H; Bindzus, N; Iversen, B B

2011-11-17

Analysis of accurate experimental and theoretical structure factors of diamond and silicon reveals that the contraction of the core shell due to covalent bond formation causes significant perturbations of the total charge density that cannot be ignored in precise charge density studies. We outline that the nature and origin of core contraction/expansion and core polarization phenomena can be analyzed by experimental studies employing an extended Hansen-Coppens multipolar model. Omission or insufficient treatment of these subatomic charge density phenomena might yield erroneous thermal displacement parameters and high residual densities in multipolar refinements. Our detailed studies therefore suggest that the refinement of contraction/expansion and population parameters of all atomic shells is essential to the precise reconstruction of electron density distributions by a multipolar model. Furthermore, our results imply that also the polarization of the inner shells needs to be adopted, especially in cases where second row or even heavier elements are involved in covalent bonding. These theoretical studies are supported by direct multipolar refinements of X-ray powder diffraction data of diamond obtained from a third-generation synchrotron-radiation source (SPring-8, BL02B2).

Simple derivation of the Lindblad equation

NASA Astrophysics Data System (ADS)

Pearle, Philip

2012-07-01

The Lindblad equation is an evolution equation for the density matrix in quantum theory. It is the general linear, Markovian, form which ensures that the density matrix is Hermitian, trace 1, positive and completely positive. Some elementary examples of the Lindblad equation are given. The derivation of the Lindblad equation presented here is ‘simple’ in that all it uses is the expression of a Hermitian matrix in terms of its orthonormal eigenvectors and real eigenvalues. Thus, it is appropriate for students who have learned the algebra of quantum theory. Where helpful, arguments are first given in a two-dimensional Hilbert space.

A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution.

PubMed

Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Koga, Kenichiro

2016-06-14

In the conventional classical density functional theory (DFT) for simple fluids, an ideal gas is usually chosen as the reference system because there is a one-to-one correspondence between the external field and the density distribution function, and the exact intrinsic free-energy functional is available for the ideal gas. In this case, the second-order density functional Taylor series expansion of the excess intrinsic free-energy functional provides the hypernetted-chain (HNC) approximation. Recently, it has been shown that the HNC approximation significantly overestimates the solvation free energy (SFE) for an infinitely dilute Lennard-Jones (LJ) solution, especially when the solute particles are several times larger than the solvent particles [T. Miyata and J. Thapa, Chem. Phys. Lett. 604, 122 (2014)]. In the present study, we propose a reference-modified density functional theory as a systematic approach to improve the SFE functional as well as the pair distribution functions. The second-order density functional Taylor series expansion for the excess part of the intrinsic free-energy functional in which a hard-sphere fluid is introduced as the reference system instead of an ideal gas is applied to the LJ pure and infinitely dilute solution systems and is proved to remarkably improve the drawbacks of the HNC approximation. Furthermore, the third-order density functional expansion approximation in which a factorization approximation is applied to the triplet direct correlation function is examined for the LJ systems. We also show that the third-order contribution can yield further refinements for both the pair distribution function and the excess chemical potential for the pure LJ liquids.

Optimizing future imaging survey of galaxies to confront dark energy and modified gravity models

NASA Astrophysics Data System (ADS)

Yamamoto, Kazuhiro; Parkinson, David; Hamana, Takashi; Nichol, Robert C.; Suto, Yasushi

2007-07-01

We consider the extent to which future imaging surveys of galaxies can distinguish between dark energy and modified gravity models for the origin of the cosmic acceleration. Dynamical dark energy models may have similar expansion rates as models of modified gravity, yet predict different growth of structure histories. We parametrize the cosmic expansion by the two parameters, w0 and wa, and the linear growth rate of density fluctuations by Linder’s γ, independently. Dark energy models generically predict γ≈0.55, while the Dvali-Gabadadze-Porrati (DGP) model γ≈0.68. To determine if future imaging surveys can constrain γ within 20% (or Δγ<0.1), we perform the Fisher matrix analysis for a weak-lensing survey such as the ongoing Hyper Suprime-Cam (HSC) project. Under the condition that the total observation time is fixed, we compute the figure of merit (FoM) as a function of the exposure time texp. We find that the tomography technique effectively improves the FoM, which has a broad peak around texp≃several˜10min; a shallow and wide survey is preferred to constrain the γ parameter. While Δγ<0.1 cannot be achieved by the HSC weak-lensing survey alone, one can improve the constraints by combining with a follow-up spectroscopic survey like Wide-field Fiber-fed Multi-Object Spectrograph (WFMOS) and/or future cosmic microwave background (CMB) observations.

Matrix Metalloproteinases in Normal Pregnancy and Preeclampsia

PubMed Central

Chen, Juanjuan; Khalil, Raouf A.

2017-01-01

Normal pregnancy is associated with marked hemodynamic and uterine changes that allow adequate uteroplacental blood flow and uterine expansion for the growing fetus. These pregnancy-associated changes involve significant uteroplacental and vascular remodeling. Matrix metalloproteinases (MMPs) are important regulators of vascular and uterine remodeling. Increases in MMP-2 and MMP-9 have been implicated in vasodilation, placentation and uterine expansion during normal pregnancy. The increases in MMPs could be induced by the increased production of estrogen and progesterone during pregnancy. MMP expression/activity may be altered during complications of pregnancy. Decreased vascular MMP-2 and MMP-9 may lead to decreased vasodilation, increased vasoconstriction, hypertensive pregnancy and preeclampsia. Abnormal expression of uteroplacental integrins, cytokines and MMPs may lead to decreased maternal tolerance, apoptosis of invasive trophoblast cells, inadequate remodeling of spiral arteries, and reduced uterine perfusion pressure (RUPP). RUPP may cause imbalance between the anti-angiogenic factors soluble fms-like tyrosine kinase-1 and soluble endoglin and the pro-angiogenic vascular endothelial growth factor and placental growth factor, or stimulate the release of inflammatory cytokines, hypoxia-inducible factor, reactive oxygen species, and angiotensin AT1 receptor agonistic autoantibodies. These circulating factors could target MMPs in the extracellular matrix as well as endothelial and vascular smooth muscle cells, causing generalized vascular dysfunction, increased vasoconstriction and hypertension in pregnancy. MMP activity can also be altered by endogenous tissue inhibitors of metalloproteinases (TIMPs) and changes in the MMP/TIMP ratio. In addition to their vascular effects, decreases in expression/activity of MMP-2 and MMP-9 in the uterus could impede uterine growth and expansion and lead to premature labor. Understanding the role of MMPs in uteroplacental and vascular remodeling and function could help design new approaches for prediction and management of preeclampsia and premature labor. PMID:28662830

Detection of density dependence requires density manipulations and calculation of lambda.

PubMed

Fowler, N L; Overath, R Deborah; Pease, Craig M

2006-03-01

To investigate density-dependent population regulation in the perennial bunchgrass Bouteloua rigidiseta, we experimentally manipulated density by removing adults or adding seeds to replicate quadrats in a natural population for three annual intervals. We monitored the adjacent control quadrats for 14 annual intervals. We constructed a population projection matrix for each quadrat in each interval, calculated lambda, and did a life table response experiment (LTRE) analysis. We tested the effects of density upon lambda by comparing experimental and control quadrats, and by an analysis of the 15-year observational data set. As measured by effects on lambda and on N(t+1/Nt in the experimental treatments, negative density dependence was strong: the population was being effectively regulated. The relative contributions of different matrix elements to treatment effect on lambda differed among years and treatments; overall the pattern was one of small contributions by many different life cycle stages. In contrast, density dependence could not be detected using only the observational (control quadrats) data, even though this data set covered a much longer time span. Nor did experimental effects on separate matrix elements reach statistical significance. These results suggest that ecologists may fail to detect density dependence when it is present if they have only descriptive, not experimental, data, do not have data for the entire life cycle, or analyze life cycle components separately.

Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

NASA Astrophysics Data System (ADS)

Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.

2016-04-01

The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.

Expansion of Titan atmosphere

NASA Astrophysics Data System (ADS)

Salem, S.; Moslem, W. M.; Radi, A.

2017-05-01

Self-similar plasma expansion approach is used to solve a plasma model based on the losing phenomenon of Titan atmospheric composition. To this purpose, a set of hydrodynamic fluid equations describing a plasma consisting of two positive ions with different masses and isothermal electrons is used. With the aid of self-similar transformation, numerical solution of the fluid equations has been performed to examine the density, velocity, and potential profiles. The effects of different plasma parameters, i.e., density and temperature ratios, are studied on the expanding plasma profiles. The present investigation could be useful to recognize the ionized particles escaping from Titan atmosphere.

Comment on "Nonuniqueness of algebraic first-order density-matrix functionals"

NASA Astrophysics Data System (ADS)

Gritsenko, O. V.

2018-02-01

Wang and Knowles (WK) [Phys. Rev. A 92, 012520 (2015), 10.1103/PhysRevA.92.012520] have given a counterexample to the conventional in reduced density-matrix functional theory representation of the second-order reduced density matrix (2RDM) Γi j ,k l in the basis of the natural orbitals as a function Γi j ,k l(n ) of the orbital occupation numbers (ONs) ni. The observed nonuniqueness of Γi j ,k l for prototype systems of different symmetry has been interpreted as the inherent inability of ON functions to reproduce the 2RDM, due to the insufficient information contained in the 1RDM spectrum. In this Comment, it is argued that, rather than totally invalidating Γi j ,k l(n ) , the WK example exposes its symmetry dependence which, as well as the previously established analogous dependence in density functional theory, is demonstrated with a general formulation based on the Levy constrained search.

Matrix-Product-State Algorithm for Finite Fractional Quantum Hall Systems

NASA Astrophysics Data System (ADS)

Liu, Zhao; Bhatt, R. N.

2015-09-01

Exact diagonalization is a powerful tool to study fractional quantum Hall (FQH) systems. However, its capability is limited by the exponentially increasing computational cost. In order to overcome this difficulty, density-matrix-renormalization-group (DMRG) algorithms were developed for much larger system sizes. Very recently, it was realized that some model FQH states have exact matrix-product-state (MPS) representation. Motivated by this, here we report a MPS code, which is closely related to, but different from traditional DMRG language, for finite FQH systems on the cylinder geometry. By representing the many-body Hamiltonian as a matrix-product-operator (MPO) and using single-site update and density matrix correction, we show that our code can efficiently search the ground state of various FQH systems. We also compare the performance of our code with traditional DMRG. The possible generalization of our code to infinite FQH systems and other physical systems is also discussed.

Thermodynamic properties of water in confined environments: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Gladovic, Martin; Bren, Urban; Urbic, Tomaž

2018-05-01

Monte Carlo simulations of Mercedes-Benz water in a crowded environment were performed. The simulated systems are representative of both composite, porous or sintered materials and living cells with typical matrix packings. We studied the influence of overall temperature as well as the density and size of matrix particles on water density, particle distributions, hydrogen bond formation and thermodynamic quantities. Interestingly, temperature and space occupancy of matrix exhibit a similar effect on water properties following the competition between the kinetic and the potential energy of the system, whereby temperature increases the kinetic and matrix packing decreases the potential contribution. A novel thermodynamic decomposition approach was applied to gain insight into individual contributions of different types of inter-particle interactions. This decomposition proved to be useful and in good agreement with the total thermodynamic quantities especially at higher temperatures and matrix packings, where higher-order potential-energy mixing terms lose their importance.

Matrix density effects on the mechanical properties of SiC/RBSN composites

NASA Technical Reports Server (NTRS)

Bhatt, Ramakrishna T.; Kiser, James D.

1990-01-01

The room temperature mechanical properties were measured for SiC fiber reinforced reaction-bonded silicon nitride composites (SiC/RBSN) of different densities. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix. The composite density was varied by changing the consolidation pressure during RBSN processing and by hot isostatically pressing the SiC/RBSN composites. Results indicate that as the consolidation pressure was increased from 27 to 138 MPa, the average pore size of the nitrided composites decreased from 0.04 to 0.02 microns and the composite density increased from 2.07 to 2.45 gm/cc. Nonetheless, these improvements resulted in only small increases in the first matrix cracking stress, primary elastic modulus, and ultimate tensile strength values of the composites. In contrast, HIP consolidation of SiC/RBSN resulted in a fully dense material whose first matrix cracking stress and elastic modulus were approx. 15 and 50 percent higher, respectively, and ultimate tensile strength values were approx. 40 percent lower than those for unHIPed SiC/RBSN composites. The modulus behavior for all specimens can be explained by simple rule-of-mixture theory. Also, the loss in ultimate strength for the HIPed composites appears to be related to a degradation in fiber strength at the HIP temperature. However, the density effect on matrix fracture strength was much less than would be expected based on typical monolithic Si3N4 behavior, suggesting that composite theory is indeed operating. Possible practical implications of these observations are discussed.

A test for interfacial effects and stress transfer in ceramic matrix composites

NASA Technical Reports Server (NTRS)

1988-01-01

A test specimen was devised for measuring stress transfer between a high modulus fiber and a ceramic matrix. Single filaments of SiC were embedded in chemically vapor deposited SiC on a thin plate of molybdenum. The CVD overcoating which encapsulated the fiber was continuous with a coating of SiC on the molybdenum. When placed in a microtensile test device and loaded in the fiber direction, the fiber fracture characteristics provide information on the fiber/matrix adhesion and stress transfer. Problems were encountered due to the formation of a weak boundary between the SiC and the molybdenum which obviated any meaningful tensile tests. Also, the high CVD temperature used in fabricating these specimens restrict the fiber, matrix (and substrate) to materials having similar thermal coefficients of expansion in order to minimize thermal stresses.

Analysis of thermal mechanical fatigue in titanium matrix composites

NASA Technical Reports Server (NTRS)

Johnson, W. Steven; Mirdamadi, Massoud

1993-01-01

Titanium metal matrix composites are being evaluated for structural applications on advanced hypersonic vehicles. These composites are reinforced with ceramic fibers such as silicon carbide, SCS-6. This combination of matrix and fiber results in a high stiffness, high strength composite that has good retention of properties even at elevated temperatures. However, significant thermal stresses are developed within the composite between the fiber and the matrix due to the difference in their respective coefficients of thermal expansion. In addition to the internal stresses that are generated due to thermal cycling, the overall laminate will be subjected to considerable mechanical loads during the thermal cycling. In order to develop life prediction methodology, one must be able to predict the stresses and strains that occur in the composite's constituents during the complex loading. Thus the purpose is to describe such an analytical tool, VISCOPLY.

A structure-based extracellular matrix expansion mechanism of fibrous tissue growth

PubMed Central

Kalson, Nicholas S; Lu, Yinhui; Taylor, Susan H; Starborg, Tobias; Holmes, David F; Kadler, Karl E

2015-01-01

Embryonic growth occurs predominately by an increase in cell number; little is known about growth mechanisms later in development when fibrous tissues account for the bulk of adult vertebrate mass. We present a model for fibrous tissue growth based on 3D-electron microscopy of mouse tendon. We show that the number of collagen fibrils increases during embryonic development and then remains constant during postnatal growth. Embryonic growth was explained predominately by increases in fibril number and length. Postnatal growth arose predominately from increases in fibril length and diameter. A helical crimp structure was established in embryogenesis, and persisted postnatally. The data support a model where the shape and size of tendon is determined by the number and position of embryonic fibroblasts. The collagen fibrils that these cells synthesise provide a template for postnatal growth by structure-based matrix expansion. The model has important implications for growth of other fibrous tissues and fibrosis. DOI: http://dx.doi.org/10.7554/eLife.05958.001 PMID:25992598

Density-functional formulation of the generalized pseudopotential theory. III. Transition-metal interatomic potentials

NASA Astrophysics Data System (ADS)

Moriarty, John A.

1988-08-01

The first-principles, density-functional version of the generalized pseudopotential theory (GPT) developed in papers I and II of this series [Phys. Rev. B 16, 2537 (1977); 26, 1754 (1982)] for empty- and filled-d-band metals is here extended to pure transition metals with partially filled d bands. The present focus is on a rigorous, real-space expansion of the bulk total energy in terms of widely transferable, structure-independent interatomic potentials, including both central-force pair interactions and angular-force triplet and quadruplet interactions. To accomplish this expansion, a specialized set of starting equations is derived from the basic local-density formalism for a pure metal, including refined expansions for the exchange-correlation terms and a simplified yet accurate representation of the cohesive energy. The parent pseudo-Green's-function formalism of the GPT is then used to develop these equations in a plane-wave, localized-d-state basis. In this basis, the cohesive energy divides quite naturally into a large volume component and a smaller structural component. The volume component,which includes all one-ion intra-atomic energy contributions, already gives a good description of the cohesion in lowest order. The structural component is expanded in terms of weak interatomic matrix elements and gives rise to a multi-ion series which establishes the interatomic potentials. Special attention is focused on the dominant d-electron contributions to this series and complete formal results for the two-ion, three-ion, and four-ion d-state potentials (vd2, vd3, and vd4) are derived. In addition, a simplified model is used to demonstrate that while vd3 can be of comparable importance to vd2, vd4 is inherently small and the series is rapidly convergent beyond three-ion interactions. Analytic model forms are also derived for vd2 and vd3 in the case of canonical d bands. In this limit, vd2 is purely attractive and varies with interatomic distance as r-10, while vd3 is weak and attractive for almost empty or filled d bands and maximum in strength and repulsive for half-filled d bands. Full first-principles expressions are then developed for the total two-ion and three-ion potentials and implemented for all 20 3d and 4d transition metals. The first-principles potentials qualitatively display all of the trends predicted by the model results, but they also reflect additional effects, including long-range hybridization tails which must be suitably screened in real-space calculations. Finally, illustrative application of the first-principles potentials is made to the calculation of the [100] phonon spectrum for V and Cr, where the importance of three-ion angular forces is explicitly demonstrated.

Gaussian polarizable-ion tight binding.

PubMed

Boleininger, Max; Guilbert, Anne Ay; Horsfield, Andrew P

2016-10-14

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Gaussian polarizable-ion tight binding

NASA Astrophysics Data System (ADS)

Boleininger, Max; Guilbert, Anne AY; Horsfield, Andrew P.

2016-10-01

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

The effect of microstructure on the sheared edge quality and hole expansion ratio of hot-rolled 700 MPa steel

NASA Astrophysics Data System (ADS)

Kaijalainen, A.; Kesti, V.; Vierelä, R.; Ylitolva, M.; Porter, D.; Kömi, J.

2017-09-01

The effects of microstructure on the cutting and hole expansion properties of three thermomechanically rolled steels have been investigated. The yield strength of the studied 3 mm thick strip steels was approximately 700 MPa. Detailed microstructural studies using laser scanning confocal microscopy (LCSM), FESEM and FESEM-EBSD revealed that the three investigated materials consist of 1) single-phase polygonal ferrite, 2) polygonal ferrite with precipitates and 3) granular bainite. The quality of mechanically sheared edges were evaluated using visual inspection and LSCM, while hole expansion properties were characterised according to the methods described in ISO 16630. Roughness values (Ra and Rz) of the sheet edge with different cutting clearances varied between 12 µm to 21 µm and 133 µm to 225 µm, respectively. Mean hole expansion ratios varied from 28.4% to 40.5%. It was shown that granular bainite produced the finest cutting edge, but the hole expansion ratio remained at the same level as in the steel comprising single-phase ferrite. This indicates that a single-phase ferritic matrix enhances hole expansion properties even with low quality edges. A brief discussion of the microstructural features controlling the cutting quality and hole expansion properties is given.

Expansive Soil Crack Depth under Cumulative Damage

PubMed Central

Shi, Bei-xiao; Chen, Sheng-shui; Han, Hua-qiang; Zheng, Cheng-feng

2014-01-01

The crack developing depth is a key problem to slope stability of the expansive soil and its project governance and the crack appears under the roles of dry-wet cycle and gradually develops. It is believed from the analysis that, because of its own cohesion, the expansive soil will have a certain amount of deformation under pulling stress but without cracks. The soil body will crack only when the deformation exceeds the ultimate tensile strain that causes cracks. And it is also believed that, due to the combined effect of various environmental factors, particularly changes of the internal water content, the inherent basic physical properties of expansive soil are weakened, and irreversible cumulative damages are eventually formed, resulting in the development of expansive soil cracks in depth. Starting from the perspective of volumetric strain that is caused by water loss, considering the influences of water loss rate and dry-wet cycle on crack developing depth, the crack developing depth calculation model which considers the water loss rate and the cumulative damages is established. Both the proposal of water loss rate and the application of cumulative damage theory to the expansive soil crack development problems try to avoid difficulties in matrix suction measurement, which will surely play a good role in promoting and improving the research of unsaturated expansive soil. PMID:24737974

The Expansion of Two-Year Colleges: Tests of Institutional and Political Economy Theories in a Dynamic Model.

ERIC Educational Resources Information Center

Blau, Judith R.; And Others

Traditional theoretical explanations for the rate of expansion of educational institutions have included the "organizational ecology" model of new foundings as a function of population density, the "institutional theory" argument that foundings are responsive to societal/consumer demand, and theories of political economy which describe foundings…

Ion flux enhancements and oscillations in spatially confined laser produced aluminum plasmas

NASA Astrophysics Data System (ADS)

Singh, S. C.; Fallon, C.; Hayden, P.; Mujawar, M.; Yeates, P.; Costello, J. T.

2014-09-01

Ion signals from laser produced plasmas (LPPs) generated inside aluminum rectangular cavities at a fixed depth d = 2 mm and varying width, x = 1.0, 1.6, and 2.75 mm were obtained by spatially varying the position of a negatively biased Langmuir probe. Damped oscillatory features superimposed on Maxwellian distributed ion signals were observed. Depending on the distance of the probe from the target surface, three to twelve fold enhancements in peak ion density were observed via confinement of the LPP, generated within rectangular cavities of varying width which constrained the plasma plume to near one dimensional expansion in the vertical plane. The effects of lateral spatial confinement on the expansion velocity of the LPP plume front, the temperature, density and expansion velocity of ions, enhancement of ion flux, and ion energy distribution were recorded. The periodic behavior of ion signals was analyzed and found to be related to the electron plasma frequency and electron-ion collision frequency. The effects of confinement and enhancement of various ion parameters and expansion velocities of the LPP ion plume are explained on the basis of shock wave theory.

Chapman-Enskog expansion for the Vicsek model of self-propelled particles

NASA Astrophysics Data System (ADS)

Ihle, Thomas

2016-08-01

Using the standard Vicsek model, I show how the macroscopic transport equations can be systematically derived from microscopic collision rules. The approach starts with the exact evolution equation for the N-particle probability distribution and, after making the mean-field assumption of molecular chaos, leads to a multi-particle Enskog-type equation. This equation is treated by a non-standard Chapman-Enskog expansion to extract the macroscopic behavior. The expansion includes terms up to third order in a formal expansion parameter ɛ, and involves a fast time scale. A self-consistent closure of the moment equations is presented that leads to a continuity equation for the particle density and a Navier-Stokes-like equation for the momentum density. Expressions for all transport coefficients in these macroscopic equations are given explicitly in terms of microscopic parameters of the model. The transport coefficients depend on specific angular integrals which are evaluated asymptotically in the limit of infinitely many collision partners, using an analogy to a random walk. The consistency of the Chapman-Enskog approach is checked by an independent calculation of the shear viscosity using a Green-Kubo relation.

Solid-density plasma expansion in intense ultra-short laser irradiation measured on nanometer scale and in real time

NASA Astrophysics Data System (ADS)

Kluge, T.; Metzkes, J.; Pelka, A.; Laso Garcia, A.; Prencipe, I.; Bussmann, M.; Zeil, K.; Schoenherr, T.; Hartley, N.; Gutt, C.; Galtier, E.; Nam, I.; Lee, Hj; McBride, Ee; Glenzer, S.; Huebner, U.; Roedel, C.; Nakatsutsumi, M.; Roedel, M.; Rehwald, M.; Garten, M.; Zacharias, M.; Schramm, U.; Cowan, T. E.

2017-10-01

Small Angle X-ray Scattering (SAXS) is discussed to allow unprecedented direct measurements limited only by the probe X-ray wavelength and duration. Here we present the first direct in-situ measurement of intense short-pulse laser - solid interaction that allows nanometer and high temporal resolution at the same time. A 120 fs laser pulse with energy 1 J was focused on a silicon membrane. The density was probed with an X-ray beam of 49 fs duration by SAXS. Despite prepulses, we can exclude premature bulk expansion. The plasma expansion is triggered only shortly before the main pulse, when an expansion of 10 nm within less than 200 fs was measured. Analysis of scattering patterns allows the first direct verification of numerical simulations. Supported by DOE FWP 100182, SF00515; EC FP7 LASERLAB-EUROPE/CHARPAC (contract 284464); German Federal Ministry of Education and Research (BMBF) under Contract Number 03Z1O511; MG and MZ supported by the European Union's Horizon 2020 No 654220.

Quantum heating as an alternative of reheating

NASA Astrophysics Data System (ADS)

Akhmedov, Emil T.; Bascone, Francesco

2018-02-01

To model a realistic situation for the beginning we consider massive real scalar ϕ4 theory in a (1 +1 )-dimensional asymptotically static Minkowski spacetime with an intermediate stage of expansion. To have an analytic headway we assume that scalars have a big mass. At past and future infinities of the background we have flat Minkowski regions which are joint by the inflationary expansion region. We use the tree-level Keldysh propagator in the theory in question to calculate the expectation value of the stress-energy tensor which is, thus, due to the excitations of the zero-point fluctuations. Then we show that even for large mass, if the de Sitter expansion stage is long enough, the quantum loop corrections to the expectation value of the stress-energy tensor are not negligible in comparison with the tree-level contribution. That is revealed itself via the excitation of the higher-point fluctuations of the exact modes: during the expansion stage a nonzero particle number density for the exact modes is generated. This density is not Planckian and serves as a quench which leads to a thermalization in the out Minkowski stage.

Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT.

PubMed

Götz, Andreas W; Kollmar, Christian; Hess, Bernd A

2005-09-01

We present a systematic procedure for the optimization of the expansion basis for the limited expansion of diatomic overlap density functional theory (LEDO-DFT) and report on optimized auxiliary orbitals for the Ahlrichs split valence plus polarization basis set (SVP) for the elements H, Li--F, and Na--Cl. A new method to deal with near-linear dependences in the LEDO expansion basis is introduced, which greatly reduces the computational effort of LEDO-DFT calculations. Numerical results for a test set of small molecules demonstrate the accuracy of electronic energies, structural parameters, dipole moments, and harmonic frequencies. For larger molecular systems the numerical errors introduced by the LEDO approximation can lead to an uncontrollable behavior of the self-consistent field (SCF) process. A projection technique suggested by Löwdin is presented in the framework of LEDO-DFT, which guarantees for SCF convergence. Numerical results on some critical test molecules suggest the general applicability of the auxiliary orbitals presented in combination with this projection technique. Timing results indicate that LEDO-DFT is competitive with conventional density fitting methods. (c) 2005 Wiley Periodicals, Inc.

Density-matrix description of heteronuclear decoupling in A mX n systems

NASA Astrophysics Data System (ADS)

McClung, R. E. D.; John, Boban K.

A detailed investigation of the effects of ordinary noise decoupling and spherical randomization decoupling on the elements of the density matrix for A mX n spin systems is presented. The elements are shown to reach steady-state values in the rotating frame of the decoupled nuclei when the decoupling field is strong and is applied for a sufficient time interval. The steady-state values are found to be linear combinations of the density-matrix elements at the beginning of the decoupling period, and often involve mixing of populations with multiple-quantum coherences, and mixing of the perpendicular components of the magnetization with higher coherences. This description of decoupling is shown to account for the "illusions" of spin decoupling in 2D gated-decoupler 13C J-resolved spectra reported by Levitt et al.

Optimization of metabolite detection by quantum mechanics simulations in magnetic resonance spectroscopy.

PubMed

Gambarota, Giulio

2017-07-15

Magnetic resonance spectroscopy (MRS) is a well established modality for investigating tissue metabolism in vivo. In recent years, many efforts by the scientific community have been directed towards the improvement of metabolite detection and quantitation. Quantum mechanics simulations allow for investigations of the MR signal behaviour of metabolites; thus, they provide an essential tool in the optimization of metabolite detection. In this review, we will examine quantum mechanics simulations based on the density matrix formalism. The density matrix was introduced by von Neumann in 1927 to take into account statistical effects within the theory of quantum mechanics. We will discuss the main steps of the density matrix simulation of an arbitrary spin system and show some examples for the strongly coupled two spin system. Copyright © 2016 Elsevier Inc. All rights reserved.

A simple procedure for construction of the orthonormal basis vectors of irreducible representations of O(5) in the OT (3) ⊗ON (2) basis

NASA Astrophysics Data System (ADS)

Pan, Feng; Ding, Xiaoxue; Launey, Kristina D.; Draayer, J. P.

2018-06-01

A simple and effective algebraic isospin projection procedure for constructing orthonormal basis vectors of irreducible representations of O (5) ⊃OT (3) ⊗ON (2) from those in the canonical O (5) ⊃ SUΛ (2) ⊗ SUI (2) basis is outlined. The expansion coefficients are components of null space vectors of the projection matrix with four nonzero elements in each row in general. Explicit formulae for evaluating OT (3)-reduced matrix elements of O (5) generators are derived.

Properties and Residual Stresses in Angle-Ply Polymer Matrix Composites

DTIC Science & Technology

1982-03-01

AMMRC TR 82-12 PROPERTIES AND RES l DUAL STRESSES IN ANGLE-PLY POLYMER MATR l X COMPOSITES March 1982 ABDEL A. FAHMY,, HARVEY A. WEST, and MARK...m D.e. Enl.r.d) PROPERTIES AND RESIDUAL STRESSES I N ANGLE-PLY F i n a l Report POLYMER MATRIX COMPOSITES REPORTDOCUMENTATlON PAGE I 7. AUTHOR...SUPPLEMENTARV NOTES L 19. KEY WORDS (Comclrm. m r.r.r. wd. 11 ner..sw and idenllfy by blocb nmb-r) Composites Thermal expansion Epoxy l a m i n a t e s

4-Pyridylnitrene and 2-pyrazinylcarbene

PubMed Central

Reisinger, Ales; Kvaskoff, David

2013-01-01

Summary Both flash vacuum thermolysis (FVT) and matrix photolysis generate 2-diazomethylpyrazine (22) from 1,2,3-triazolo[1,5-a]pyrazine (24). FVT of 4-azidopyridine (18) as well as of 24 or 2-(5-tetrazolyl)pyrazine (23) affords the products expected from the nitrene, i.e., 4,4’-azopyridine and 2- and 3-cyanopyrroles. Matrix photolyses of both 18 and 24 result in ring expansion of 4-pyridylnitrene/2-pyrazinylcarbene to 1,5-diazacyclohepta-1,2,4,6-tetraene (20). Further photolysis causes ring opening to the ketenimine 27. PMID:23766787

Exact and quasi-classical density matrix and Wigner functions for a particle in the box and half space

NASA Technical Reports Server (NTRS)

Akhundova, E. A.; Dodonov, V. V.; Manko, V. I.

1993-01-01

The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).

Influence of medium-chain triglycerides on expansion and rheological properties of extruded corn starch.

PubMed

Horvat, Mario; Emin, M Azad; Hochstein, Bernhard; Willenbacher, Norbert; Schuchmann, Heike Petra

2013-04-02

Enhancement of product properties of extruded starch based products can be achieved by incorporating health promoting oil into the matrix. In order to achieve a preferably high expansion with a homogeneous pore structure, the expansion mechanisms have to be understood. In our study, we applied a customized twin-screw extruder set up to feed medium-chain triglycerides after complete gelatinization of corn starch, minimizing its effect on the starch gelatinization. Despite the fact, that the addition of up to 3.5% oil showed no influence on the extrusion parameters, we observed a three-fold increase in sectional expansion. Longitudinal expansion was less affected by the oil content. Rheological properties of the gelatinized starch were measured using an inline slit die rheometer. In addition to shear viscosity, we presented a method to determine the Bagley pressure, which reflects the elongational properties of a fluid. We were able to observe an increase in the Bagley pressure from about 25 bar up to 35-37 bar due to the addition of oil. Copyright © 2012 Elsevier Ltd. All rights reserved.

[Atraumatic bone expansion: Interest of piezo-surgery, conicals expanders and immediate implantation combination].

PubMed

Iraqui, O; Lakhssassi, N; Berrada, S; Merzouk, N

2016-06-01

The durability of dental implants depends on the presence of a 1mm coating bone sheath all around the fixture. Therefore, bone resorption represents a challenge for the practitioner. Bone expansion is a surgical technique that allows the management of horizontal bone atrophy. Cortical bone splitting allows for an enlargement of the residual crest by displacement of the vestibular bone flap. The immediate placement of implants secures the widening and allows for a 97% survival rate. However, bone expansion is hard to undertake in sites with high bone density. Furthermore, the use of traditional instruments increases patient's stress and the risk for an interruptive fracture during bone displacement. Non-traumatic bone expansion is one solution to this problem. The combination of piezo-surgery and conical expanders allows for a secured displacement of the selected bone flap as well as an immediate implant placement, avoiding the risk of slipping, overheating, or fracture, all within an undeniable operative comfort. Non-traumatic bone expansion is a reliable, reproducible, conservative, and economical in time and cost procedure. We describe our atraumatic bone expension and immediate implant placement technique in high bone density sites and illustrate it by a clinical case. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Polymerization shrinkage and hygroscopic expansion of contemporary posterior resin-based filling materials--a comparative study.

PubMed

Rüttermann, Stefan; Krüger, Sören; Raab, Wolfgang H-M; Janda, Ralf

2007-10-01

To investigate the polymerization shrinkage and hygroscopic expansion of contemporary posterior resin-based filling materials. The densities of SureFil (SU), CeramXMono (CM), Clearfil AP-X (CF), Solitaire 2 (SO), TetricEvoCeram (TE), and Filtek P60 (FT) were measured using the Archimedes' principle prior to and 15min after curing for 20, 40 and 60s and after 1h, 24h, 7 d, and 30 d storage at 37 degrees C in water. Volumetric changes (DeltaV) in percent after polymerization and after each storage period in water were calculated from the changes of densities. Water sorption and solubility were determined after 30 d for all specimens and their curing times. Two-way ANOVA was calculated for shrinkage and repeated measures ANOVA was calculated for hygroscopic expansion (p<0.05). DeltaV depended on filler load but not on curing time (SU approximately -2.0%, CM approximately -2.6%, CF approximately -2.1%, SO approximately -3.3%, TE approximately -1.7%, FT approximately -1.8%). Hygroscopic expansion depended on water sorption and solubility. Except for SU, all materials showed DeltaV approximately +1% after water storage. Polymerization shrinkage depended on the type of resin-based filling material but not on curing time. Shrinkage was not compensated by hygroscopic expansion.

Time-dependent transition density matrix for visualizing charge-transfer excitations in photoexcited organic donor-acceptor systems

NASA Astrophysics Data System (ADS)

Li, Yonghui; Ullrich, Carsten

2013-03-01

The time-dependent transition density matrix (TDM) is a useful tool to visualize and interpret the induced charges and electron-hole coherences of excitonic processes in large molecules. Combined with time-dependent density functional theory on a real-space grid (as implemented in the octopus code), the TDM is a computationally viable visualization tool for optical excitation processes in molecules. It provides real-time maps of particles and holes which gives information on excitations, in particular those that have charge-transfer character, that cannot be obtained from the density alone. Some illustration of the TDM and comparison with standard density difference plots will be shown for photoexcited organic donor-acceptor molecules. This work is supported by NSF Grant DMR-1005651

Understanding spatial-temporal urban expansion pattern (1990-2009) using impervious surface data and landscape indexes: a case study in Guangzhou (China)

NASA Astrophysics Data System (ADS)

Fan, Fenglei; Fan, Wei

2014-01-01

A new viewpoint for understanding the urban expansion using impervious surface information, which is obtained using remote sensing imagery is presented. The purpose of this study is to understand and describe the urban expansion pattern with the view of impervious surfaces instead of the conventional view of land use/land cover. Six years' worth of impervious surface data (1990-2009) of Guangzhou are extracted via linear spectral unmixing analysis methods and spatial and temporal characteristics are discussed in detail. The area, density, and gravity centers changes of the impervious surfaces are analyzed to explain internal/external urban expansion. Meanwhile, five landscape indexes, such as patch density, edge density, mean patch size, area-weighted, and fragmentation index, are utilized to describe landscape changes of Guangzhou in past 20 years, which are influenced deeply by the impervious surface expansion. In order to detail landscape changes, two transects corresponding to the two urban expansion directions are designed and five landscape metrics in these two transects are reported. Conclusions can be drawn and shown as following: (1) temporally, the area of impervious surfaces increases from 12,998 to 59,911 ha from 1990 to 2009. The amount of impervious surface varies in different periods. The annual growth rates of impervious surface area during 1990-1995, 1995-1998, and 1998-2000 are 10.16%, 11.61%, and 10.78%, respectively; (2) annual growth rates decrease from 10.78% (1998-2000) to 5.67% (2000-2003). Nevertheless, from 2003-2009, the annual growth rate has a slight increase compared to a former period. The rate is 5.91% (3) spatially, gravity centers of medium and high percentage impervious surfaces migrate slightly; and (4) according to the gradient analysis in the two transects, it can be observed that the high percentage of impervious surface increases gradually in new city districts (from west to east and from south to north).

Towards an exact theory of linear absorbance and circular dichroism of pigment-protein complexes: Importance of non-secular contributions

NASA Astrophysics Data System (ADS)

Dinh, Thanh-Chung; Renger, Thomas

2015-01-01

A challenge for the theory of optical spectra of pigment-protein complexes is the equal strength of the pigment-pigment and the pigment-protein couplings. Treating both on an equal footing so far can only be managed by numerically costly approaches. Here, we exploit recent results on a normal mode analysis derived spectral density that revealed the dominance of the diagonal matrix elements of the exciton-vibrational coupling in the exciton state representation. We use a cumulant expansion technique that treats the diagonal parts exactly, includes an infinite summation of the off-diagonal parts in secular and Markov approximations, and provides a systematic perturbative way to include non-secular and non-Markov corrections. The theory is applied to a model dimer and to chlorophyll (Chl) a and Chl b homodimers of the reconstituted water-soluble chlorophyll-binding protein (WSCP) from cauliflower. The model calculations reveal that the non-secular/non-Markov effects redistribute oscillator strength from the strong to the weak exciton transition in absorbance and they diminish the rotational strength of the exciton transitions in circular dichroism. The magnitude of these corrections is in a few percent range of the overall signal, providing a quantitative explanation of the success of time-local convolution-less density matrix theory applied earlier. A close examination of the optical spectra of Chl a and Chl b homodimers in WSCP suggests that the opening angle between Qy transition dipole moments in Chl b homodimers is larger by about 9∘ than for Chl a homodimers for which a crystal structure of a related WSCP complex exists. It remains to be investigated whether this change is due to a different mutual geometry of the pigments or due to the different electronic structures of Chl a and Chl b.