Mechanical stabilization of proteolytically degradable polyethylene glycol dimethacrylate hydrogels through peptide interaction.

PubMed

Lim, Hyun Ju; Khan, Zara; Lu, Xi; Perera, T Hiran; Wilems, Thomas S; Ravivarapu, Krishna T; Smith Callahan, Laura A

2018-04-15

Balancing enhancement of neurite extension against loss of matrix support in synthetic hydrogels containing proteolytically degradable and bioactive signaling peptides to optimize tissue formation is difficult. Using a systematic approach, polyethylene glycol hydrogels containing concurrent continuous concentration gradients of the laminin derived bioactive signaling peptide, Ile-Lys-Val-Ala-Val (IKVAV), and collagen derived matrix metalloprotease degradable peptide, GPQGIWGQ, were fabricated and characterized. During proteolytic degradation of the concentration gradient hydrogels, the IKVAV and IWGQ cleavage fragment from GPQGIWGQ were found to interact and stabilize the bulk Young's Modulus of the hydrogel. Further testing of discrete samples containing GPQGIWGQ or its cleavage fragments, GPQG and IWGQ, indicates hydrophobic interactions between the peptides are not necessary for mechanical stabilization of the hydrogel, but changes in the concentration ratio between the peptides tethered in the hydrogel and salts and ions in the swelling solution can affect the stabilization. Encapsulation of human induced pluripotent stem cell derived neural stem cells did not reduce the mechanical properties of the hydrogel over a 14 day neural differentiation culture period, and IKVAV was found to maintain concentration dependent effects on neurite extension and mRNA gene expression of neural cytoskeletal markers, similar to previous studies. As a result, this work has significant implications for the analysis of biological studies in matrices, as the material and mechanical properties of the hydrogel may be unexpectedly temporally changing during culture due to interactions between peptide signaling elements, underscoring the need for greater matrix characterization during the degradation and cell culture. Greater emulation of the native extracellular matrix is necessary for tissue formation. To achieve this, matrices are becoming more complex, often including multiple bioactive signaling elements. However, peptide signaling in polyethylene glycol matrices and amino acids interactions between peptides can affect hydrogel material and mechanical properties, but are rarely studied. The current study identifies such an interaction between laminin derived peptide, IKVAV, and collagen derived matrix metalloprotease degradable peptide, GPQGIWGQ. Previous studies using these peptides did not identify their interactions' ability to mechanically stabilize the hydrogel during degradation. This work underscores the need for greater matrix characterization and consideration of bioactive signaling element effects temporally on the matrix's material and mechanical properties, as they can contribute to cellular response. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements

NASA Astrophysics Data System (ADS)

Cave, Robert J.; Newton, Marshall D.

1996-01-01

A new method for the calculation of the electronic coupling matrix element for electron transfer processes is introduced and results for several systems are presented. The method can be applied to ground and excited state systems and can be used in cases where several states interact strongly. Within the set of states chosen it is a non-perturbative treatment, and can be implemented using quantities obtained solely in terms of the adiabatic states. Several applications based on quantum chemical calculations are briefly presented. Finally, since quantities for adiabatic states are the only input to the method, it can also be used with purely experimental data to estimate electron transfer matrix elements.

Matrix-Assisted Plasma Atomization Emission Spectrometry for Surface Sampling Elemental Analysis

PubMed Central

Yuan, Xin; Zhan, Xuefang; Li, Xuemei; Zhao, Zhongjun; Duan, Yixiang

2016-01-01

An innovative technology has been developed involving a simple and sensitive optical spectrometric method termed matrix-assisted plasma atomization emission spectrometry (MAPAES) for surface sampling elemental analysis using a piece of filter paper (FP) for sample introduction. MAPAES was carried out by direct interaction of the plasma tail plume with the matrix surface. The FP absorbs energy from the plasma source and releases combustion heating to the analytes originally present on its surface, thus to promote the atomization and excitation process. The matrix-assisted plasma atomization excitation phenomenon was observed for multiple elements. The FP matrix served as the partial energy producer and also the sample substrate to adsorb sample solution. Qualitative and quantitative determinations of metal ions were achieved by atomic emission measurements for elements Ba, Cu, Eu, In, Mn, Ni, Rh and Y. The detection limits were down to pg level with linear correlation coefficients better than 0.99. The proposed MAPAES provides a new way for atomic spectrometry which offers advantages of fast analysis speed, little sample consumption, less sample pretreatment, small size, and cost-effective. PMID:26762972

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

NASA Astrophysics Data System (ADS)

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-01

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

PubMed

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-21

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Finite Element Implementation of Mechanochemical Phenomena in Neutral Deformable Porous Media Under Finite Deformation

PubMed Central

Ateshian, Gerard A.; Albro, Michael B.; Maas, Steve; Weiss, Jeffrey A.

2011-01-01

Biological soft tissues and cells may be subjected to mechanical as well as chemical (osmotic) loading under their natural physiological environment or various experimental conditions. The interaction of mechanical and chemical effects may be very significant under some of these conditions, yet the highly nonlinear nature of the set of governing equations describing these mechanisms poses a challenge for the modeling of such phenomena. This study formulated and implemented a finite element algorithm for analyzing mechanochemical events in neutral deformable porous media under finite deformation. The algorithm employed the framework of mixture theory to model the porous permeable solid matrix and interstitial fluid, where the fluid consists of a mixture of solvent and solute. A special emphasis was placed on solute-solid matrix interactions, such as solute exclusion from a fraction of the matrix pore space (solubility) and frictional momentum exchange that produces solute hindrance and pumping under certain dynamic loading conditions. The finite element formulation implemented full coupling of mechanical and chemical effects, providing a framework where material properties and response functions may depend on solid matrix strain as well as solute concentration. The implementation was validated using selected canonical problems for which analytical or alternative numerical solutions exist. This finite element code includes a number of unique features that enhance the modeling of mechanochemical phenomena in biological tissues. The code is available in the public domain, open source finite element program FEBio (http://mrl.sci.utah.edu/software). PMID:21950898

Transferring elements of a density matrix

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

Allahverdyan, Armen E.; Hovhannisyan, Karen V.; Yerevan State University, A. Manoogian Street 1, Yerevan

2010-01-15

We study restrictions imposed by quantum mechanics on the process of matrix-element transfer. This problem is at the core of quantum measurements and state transfer. Given two systems A and B with initial density matrices lambda and r, respectively, we consider interactions that lead to transferring certain matrix elements of unknown lambda into those of the final state r-tilde of B. We find that this process eliminates the memory on the transferred (or certain other) matrix elements from the final state of A. If one diagonal matrix element is transferred, r(tilde sign){sub aa}=lambda{sub aa}, the memory on each nondiagonal elementmore » lambda{sub an}ot ={sub b} is completely eliminated from the final density operator of A. Consider the following three quantities, Relambda{sub an}ot ={sub b}, Imlambda{sub an}ot ={sub b}, and lambda{sub aa}-lambda{sub bb} (the real and imaginary part of a nondiagonal element and the corresponding difference between diagonal elements). Transferring one of them, e.g., Rer(tilde sign){sub an}ot ={sub b}=Relambda{sub an}ot ={sub b}, erases the memory on two others from the final state of A. Generalization of these setups to a finite-accuracy transfer brings in a trade-off between the accuracy and the amount of preserved memory. This trade-off is expressed via system-independent uncertainty relations that account for local aspects of the accuracy-disturbance trade-off in quantum measurements. Thus, the general aspect of state disturbance in quantum measurements is elimination of memory on non-diagonal elements, rather than diagonalization.« less

Apparatus and method for identification of matrix materials in which transuranic elements are embedded using thermal neutron capture gamma-ray emission

DOEpatents

Close, D.A.; Franks, L.A.; Kocimski, S.M.

1984-08-16

An invention is described that enables the quantitative simultaneous identification of the matrix materials in which fertile and fissile nuclides are embedded to be made along with the quantitative assay of the fertile and fissile materials. The invention also enables corrections for any absorption of neutrons by the matrix materials and by the measurement apparatus by the measurement of the prompt and delayed neutron flux emerging from a sample after the sample is interrogated by simultaneously applied neutrons and gamma radiation. High energy electrons are directed at a first target to produce gamma radiation. A second target receives the resulting pulsed gamma radiation and produces neutrons from the interaction with the gamma radiation. These neutrons are slowed by a moderator surrounding the sample and bathe the sample uniformly, generating second gamma radiation in the interaction. The gamma radiation is then resolved and quantitatively detected, providing a spectroscopic signature of the constituent elements contained in the matrix and in the materials within the vicinity of the sample. (LEW)

Bivariate- distribution for transition matrix elements in Breit-Wigner to Gaussian domains of interacting particle systems.

PubMed

Kota, V K B; Chavda, N D; Sahu, R

2006-04-01

Interacting many-particle systems with a mean-field one-body part plus a chaos generating random two-body interaction having strength lambda exhibit Poisson to Gaussian orthogonal ensemble and Breit-Wigner (BW) to Gaussian transitions in level fluctuations and strength functions with transition points marked by lambda = lambda c and lambda = lambda F, respectively; lambda F > lambda c. For these systems a theory for the matrix elements of one-body transition operators is available, as valid in the Gaussian domain, with lambda > lambda F, in terms of orbital occupation numbers, level densities, and an integral involving a bivariate Gaussian in the initial and final energies. Here we show that, using a bivariate-t distribution, the theory extends below from the Gaussian regime to the BW regime up to lambda = lambda c. This is well tested in numerical calculations for 6 spinless fermions in 12 single-particle states.

Weak interaction probes of light nuclei

NASA Astrophysics Data System (ADS)

Towner, I. S.

1986-03-01

Experimental evidence for pion enhancement in axial charge transitions as predicted by softpion theorems is reviewed. Corrections from non-soft-pion terms seem to be limited. For transitions involving the space part of the axial-vector current, soft-pion theorems are powerless. Meson-exchange currents then involve a complicated interplay among competing process. Explicit calculations in the hard-pion model for closed-shell-plus (or minus)-one nuclei, A=15 and A= =17, are in reasonable agreement with experiment. Quenching in the off-diagonal spin-flip matrix element is larger than in the diagonal matrix element.

SevenOperators, a Mathematica script for harmonic oscillator nuclear matrix elements arising in semileptonic electroweak interactions

NASA Astrophysics Data System (ADS)

Haxton, Wick; Lunardini, Cecilia

2008-09-01

Semi-leptonic electroweak interactions in nuclei—such as β decay, μ capture, charged- and neutral-current neutrino reactions, and electron scattering—are described by a set of multipole operators carrying definite parity and angular momentum, obtained by projection from the underlying nuclear charge and three-current operators. If these nuclear operators are approximated by their one-body forms and expanded in the nucleon velocity through order |p→|/M, where p→ and M are the nucleon momentum and mass, a set of seven multipole operators is obtained. Nuclear structure calculations are often performed in a basis of Slater determinants formed from harmonic oscillator orbitals, a choice that allows translational invariance to be preserved. Harmonic-oscillator single-particle matrix elements of the multipole operators can be evaluated analytically and expressed in terms of finite polynomials in q, where q is the magnitude of the three-momentum transfer. While results for such matrix elements are available in tabular form, with certain restriction on quantum numbers, the task of determining the analytic form of a response function can still be quite tedious, requiring the folding of the tabulated matrix elements with the nuclear density matrix, and subsequent algebra to evaluate products of operators. Here we provide a Mathematica script for generating these matrix elements, which will allow users to carry out all such calculations by symbolic manipulation. This will eliminate the errors that may accompany hand calculations and speed the calculation of electroweak nuclear cross sections and rates. We illustrate the use of the new script by calculating the cross sections for charged- and neutral-current neutrino scattering in 12C. Program summaryProgram title: SevenOperators Catalogue identifier: AEAY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAY_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.: 2227 No. of bytes in distributed program, including test data, etc.: 19 382 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer running Mathematica; tested on Mac OS X PowerPC (32-bit) running Mathematica 6.0.0 Operating system: Any running Mathematica RAM: Memory requirements determined by Mathematica; 512 MB or greater RAM and hard drive space of at least 3.0 GB recommended Classification: 17.16, 17.19 Nature of problem: Algebraic evaluation of harmonic oscillator nuclear matrix elements for the one-body multipole operators governing semi-leptonic weak interactions, such as charged- or neutral-current neutrino scattering off nuclei. Solution method: Mathematica evaluation of associated angular momentum algebra and spherical Bessel function radial integrals. Running time: Depends on the complexity of the one-body density matrix employed, but times of a few seconds are typical.

Theoretical Studies of Spectroscopic Line Mixing in Remote Sensing Applications

NASA Astrophysics Data System (ADS)

Ma, Q.

2015-12-01

The phenomenon of collisional transfer of intensity due to line mixing has an increasing importance for atmospheric monitoring. From a theoretical point of view, all relevant information about the collisional processes is contained in the relaxation matrix where the diagonal elements give half-widths and shifts, and the off-diagonal elements correspond to line interferences. For simple systems such as those consisting of diatom-atom or diatom-diatom, accurate fully quantum calculations based on interaction potentials are feasible. However, fully quantum calculations become unrealistic for more complex systems. On the other hand, the semi-classical Robert-Bonamy (RB) formalism, which has been widely used to calculate half-widths and shifts for decades, fails in calculating the off-diagonal matrix elements. As a result, in order to simulate atmospheric spectra where the effects from line mixing are important, semi-empirical fitting or scaling laws such as the ECS and IOS models are commonly used. Recently, while scrutinizing the development of the RB formalism, we have found that these authors applied the isolated line approximation in their evaluating matrix elements of the Liouville scattering operator given in exponential form. Since the criterion of this assumption is so stringent, it is not valid for many systems of interest in atmospheric applications. Furthermore, it is this assumption that blocks the possibility to calculate the whole relaxation matrix at all. By eliminating this unjustified application, and accurately evaluating matrix elements of the exponential operators, we have developed a more capable formalism. With this new formalism, we are now able not only to reduce uncertainties for calculated half-widths and shifts, but also to remove a once insurmountable obstacle to calculate the whole relaxation matrix. This implies that we can address the line mixing with the semi-classical theory based on interaction potentials between molecular absorber and molecular perturber. We have applied this formalism to address the line mixing for Raman and infrared spectra of molecules such as N2, C2H2, CO2, NH3, and H2O. By carrying out rigorous calculations, our calculated relaxation matrices are in good agreement with both experimental data and results derived from the ECS model.

Laser diagnostics of native cervix dabs with human papilloma virus in high carcinogenic risk

NASA Astrophysics Data System (ADS)

Peresunko, O. P.; Karpenko, Ju. G.; Burkovets, D. N.; Ivashko, P. V.; Nikorych, A. V.; Yermolenko, S. B.; Gruia, Ion; Gruia, M. J.

2015-11-01

The results of experimental studies of coordinate distributions of Mueller matrix elements of the following types of cervical scraping tissue are presented: rate- low-grade - highly differentiated dysplasia (CIN1-CIN3) - adenocarcinoma of high, medium and low levels of differentiation (G1-G3). The rationale for the choice of statistical points 1-4 orders polarized coherent radiation field, transformed as a result of interaction with the oncologic modified biological layers "epithelium-stroma" as a quantitative criterion of polarimetric optical differentiation state of human biological tissues are shown here. The analysis of the obtained Mueller matrix elements and statistical correlation methods, the systematized by types studied tissues is accomplished. The results of research images of Mueller matrix elements m34 for this type of pathology as low-grade dysplasia (CIN2), the results of its statistical and correlation analysis are presented.

A momentum-space formulation without partial wave decomposition for scattering of two spin-half particles

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

Fachruddin, Imam, E-mail: imam.fachruddin@sci.ui.ac.id; Salam, Agus

2016-03-11

A new momentum-space formulation for scattering of two spin-half particles, both either identical or unidentical, is formulated. As basis states the free linear-momentum states are not expanded into the angular-momentum states, the system’s spin states are described by the product of the spin states of the two particles, and the system’s isospin states by the total isospin states of the two particles. We evaluate the Lippmann-Schwinger equations for the T-matrix elements in these basis states. The azimuthal behavior of the potential and of the T-matrix elements leads to a set of coupled integral equations for the T-matrix elements in twomore » variables only, which are the magnitude of the relative momentum and the scattering angle. Some symmetry relations for the potential and the T-matrix elements reduce the number of the integral equations to be solved. A set of six spin operators to express any interaction of two spin-half particles is introduced. We show the spin-averaged differential cross section as being calculated in terms of the solution of the set of the integral equations.« less

Proton-Proton Fusion and Tritium β Decay from Lattice Quantum Chromodynamics

NASA Astrophysics Data System (ADS)

Savage, Martin J.; Shanahan, Phiala E.; Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Beane, Silas R.; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Nplqcd Collaboration

2017-08-01

The nuclear matrix element determining the p p →d e+ν fusion cross section and the Gamow-Teller matrix element contributing to tritium β decay are calculated with lattice quantum chromodynamics for the first time. Using a new implementation of the background field method, these quantities are calculated at the SU(3) flavor-symmetric value of the quark masses, corresponding to a pion mass of mπ˜806 MeV . The Gamow-Teller matrix element in tritium is found to be 0.979(03)(10) at these quark masses, which is within 2 σ of the experimental value. Assuming that the short-distance correlated two-nucleon contributions to the matrix element (meson-exchange currents) depend only mildly on the quark masses, as seen for the analogous magnetic interactions, the calculated p p →d e+ν transition matrix element leads to a fusion cross section at the physical quark masses that is consistent with its currently accepted value. Moreover, the leading two-nucleon axial counterterm of pionless effective field theory is determined to be L1 ,A=3.9 (0.2 )(1.0 )(0.4 )(0.9 ) fm3 at a renormalization scale set by the physical pion mass, also agreeing within the accepted phenomenological range. This work concretely demonstrates that weak transition amplitudes in few-nucleon systems can be studied directly from the fundamental quark and gluon degrees of freedom and opens the way for subsequent investigations of many important quantities in nuclear physics.

0{nu}{beta}{beta}-decay nuclear matrix elements with self-consistent short-range correlations

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

Simkovic, Fedor; Bogoliubov Laboratory of Theoretical Physics, JINR, RU-141 980 Dubna, Moscow region; Department of Nuclear Physics, Comenius University, Mlynska dolina F1, SK-842 15 Bratislava

A self-consistent calculation of nuclear matrix elements of the neutrinoless double-beta decays (0{nu}{beta}{beta}) of {sup 76}Ge, {sup 82}Se, {sup 96}Zr, {sup 100}Mo, {sup 116}Cd, {sup 128}Te, {sup 130}Te, and {sup 136}Xe is presented in the framework of the renormalized quasiparticle random phase approximation (RQRPA) and the standard QRPA. The pairing and residual interactions as well as the two-nucleon short-range correlations are for the first time derived from the same modern realistic nucleon-nucleon potentials, namely, from the charge-dependent Bonn potential (CD-Bonn) and the Argonne V18 potential. In a comparison with the traditional approach of using the Miller-Spencer Jastrow correlations, matrix elementsmore » for the 0{nu}{beta}{beta} decay are obtained that are larger in magnitude. We analyze the differences among various two-nucleon correlations including those of the unitary correlation operator method (UCOM) and quantify the uncertainties in the calculated 0{nu}{beta}{beta}-decay matrix elements.« less

Inelastic response of metal matrix composites under biaxial loading

NASA Technical Reports Server (NTRS)

Lissenden, C. J.; Mirzadeh, F.; Pindera, M.-J.; Herakovich, C. T.

1991-01-01

Theoretical predictions and experimental results were obtained for inelastic response of unidirectional and angle ply composite tubes subjected to axial and torsional loading. The composite material consist of silicon carbide fibers in a titanium alloy matrix. This material is known to be susceptible to fiber matrix interfacial damage. A method to distinguish between matrix yielding and fiber matrix interfacial damage is suggested. Biaxial tests were conducted on the two different layup configurations using an MTS Axial/Torsional load frame with a PC based data acquisition system. The experimentally determined elastic moduli of the SiC/Ti system are compared with those predicted by a micromechanics model. The test results indicate that fiber matrix interfacial damage occurs at relatively low load levels and is a local phenomenon. The micromechanics model used is the method of cells originally proposed by Aboudi. Finite element models using the ABACUS finite element program were used to study end effects and fixture specimen interactions. The results to date have shown good correlation between theory and experiment for response prior to damage initiation.

Enhanced plastic deformations of nanofibrillated cellulose film by adsorbed moisture and protein-mediated interactions.

PubMed

Malho, Jani-Markus; Ouellet-Plamondon, Claudiane; Rüggeberg, Markus; Laaksonen, Päivi; Ikkala, Olli; Burgert, Ingo; Linder, Markus B

2015-01-12

Biological composites are typically based on an adhesive matrix that interlocks rigid reinforcing elements in fiber composite or brick-and-mortar assemblies. In nature, the adhesive matrix is often made up of proteins, which are also interesting model systems, as they are unique among polymers in that we know how to engineer their structures with atomic detail and to select protein elements for specific interactions with other components. Here we studied how fusion proteins that consist of cellulose binding proteins linked to proteins that show a natural tendency to form multimer complexes act as an adhesive matrix in combination with nanofibrillated cellulose. We found that the fusion proteins are retained with the cellulose and that the proteins mainly affect the plastic yield behavior of the cellulose material as a function of water content. Interestingly, the proteins increased the moisture absorption of the composite, but the well-known plastifying effect of water was clearly decreased. The work helps to understand the functional basis of nanocellulose composites as materials and aims toward building model systems for molecular biomimetic materials.

Parity-violating electric-dipole transitions in helium

NASA Technical Reports Server (NTRS)

Hiller, J.; Sucher, J.; Bhatia, A. K.; Feinberg, G.

1980-01-01

The paper examines parity-violating electric-dipole transitions in He in order to gain insight into the reliability of approximate calculations which are carried out for transitions in many-electron atoms. The contributions of the nearest-lying states are computed with a variety of wave functions, including very simple product wave functions, Hartree-Fock functions and Hylleraas-type wave functions with up to 84 parameters. It is found that values of the matrix elements of the parity-violating interaction can differ considerably from the values obtained from the good wave functions, even when these simple wave functions give accurate values for the matrix elements in question

Nuclear matrix elements for 0νβ{sup −}β{sup −} decays: Comparative analysis of the QRPA, shell model and IBM predictions

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

Civitarese, Osvaldo; Suhonen, Jouni

In this work we report on general properties of the nuclear matrix elements involved in the neutrinoless double β{sup −} decays (0νβ{sup −}β{sup −} decays) of several nuclei. A summary of the values of the NMEs calculated along the years by the Jyväskylä-La Plata collaboration is presented. These NMEs, calculated in the framework of the quasiparticle random phase approximation (QRPA), are compared with those of the other available calculations, like the Shell Model (ISM) and the interacting boson model (IBA-2)

Does the Coherent Lidar System Corroborate Non-Interaction of Waves (NIW)?

NASA Technical Reports Server (NTRS)

Prasad, Narasimha S.; Roychoudhari, Chandrasekhar

2013-01-01

The NIW (non-interaction of waves) property has been proposed by one of the coauthors. The NIW property states that in the absence of any "obstructing" detectors, all the Huygens-Fresnel secondary wavelets will continue to propagate unhindered and without interacting (interfering) with each other. Since a coherent lidar system incorporates complex behaviors of optical components with different polarizations including circular polarization for the transmitted radiation, then the question arises whether the NIW principle accommodate elliptical polarization of light. Elliptical polarization presumes the summation of orthogonally polarized electric field vectors which contradicts the NIW principle. In this paper, we present working of a coherent lidar system using Jones matrix formulation. The Jones matrix elements represent the anisotropic dipolar properties of molecules of optical components. Accordingly, when we use the Jones matrix methodology to analyze the coherent lidar system, we find that the system behavior is congruent with the NIW property.

Theoretical Studies of Spectroscopic Line Mixing in Remote Sensing Applications

NASA Technical Reports Server (NTRS)

Ma, Q.; Boulet, C.; Tipping, R. H.

2015-01-01

The phenomenon of collisional transfer of intensity due to line mixing has an increasing importance for atmospheric monitoring. From a theoretical point of view, all relevant information about the collisional processes is contained in the relaxation matrix where the diagonal elements give half-widths and shifts, and the off-diagonal elements correspond to line interferences. For simple systems such as those consisting of diatom-atom or diatom-diatom, accurate fully quantum calculations based on interaction potentials are feasible. However, fully quantum calculations become unrealistic for more complex systems. On the other hand, the semi-classical Robert-Bonamy (RB) formalism, which has been widely used to calculate half-widths and shifts for decades, fails in calculating the off-diagonal matrix elements. As a result, in order to simulate atmospheric spectra where the effects from line mixing are important, semi-empirical fitting or scaling laws such as the ECS (Energy-Corrected Sudden) and IOS (Infinite-Order Sudden) models are commonly used. Recently, while scrutinizing the development of the RB formalism, we have found that these authors applied the isolated line approximation in their evaluating matrix elements of the Liouville scattering operator given in exponential form. Since the criterion of this assumption is so stringent, it is not valid for many systems of interest in atmospheric applications. Furthermore, it is this assumption that blocks the possibility to calculate the whole relaxation matrix at all. By eliminating this unjustified application, and accurately evaluating matrix elements of the exponential operators, we have developed a more capable formalism. With this new formalism, we are now able not only to reduce uncertainties for calculated half-widths and shifts, but also to remove a once insurmountable obstacle to calculate the whole relaxation matrix. This implies that we can address the line mixing with the semi-classical theory based on interaction potentials between molecular absorber and molecular perturber. We have applied this formalism to address the line mixing for Raman and infrared spectra of molecules such as N2, C2H2, CO2, NH3, and H2O. By carrying out rigorous calculations, our calculated relaxation matrices are in good agreement with both experimental data and results derived from the ECS model.

Genetics Home Reference: SATB2-associated syndrome

MedlinePlus

... factor Satb2 interacts with matrix attachment region DNA elements in a tissue-specific manner and demonstrates cell- ... Citation on PubMed or Free article on PubMed Central Britanova O, de Juan Romero C, Cheung A, ...

Interactive display system having a matrix optical detector

DOEpatents

Veligdan, James T.; DeSanto, Leonard

2007-01-23

A display system includes a waveguide optical panel having an inlet face and an opposite outlet face. An image beam is projected across the inlet face laterally and transversely for display on the outlet face. An optical detector including a matrix of detector elements is optically aligned with the inlet face for detecting a corresponding lateral and transverse position of an inbound light spot on the outlet face.

Schematic interactions with many degeneracies

NASA Astrophysics Data System (ADS)

Kingan, Arun; Quinonez, Michael; Zamick, Larry

In previous works, we examined the spectra for systems of two protons and two neutrons, in a single j shell calculation, by obtaining matrix elements from experiment. More recently, we considered the schematic interactions in the same model space. We continue in this vein here. The present work and the former can be regarded as two bookends on a bookshelf.

Performance of Minicomputers in Finite Element Analysis Pre and Post Processing.

DTIC Science & Technology

1980-07-29

points, and 78 rectangular plate elements. It was generated using the BULKM mesh generation program, which is a part of the GIFTS -5 system [3]. c...The program used, DECOM, is part of the GIFTS system. It uses a hyper-(partitioned) matrix generalization of the Cholesky decomposition algorithm. d...Pub. 2018, Oct. 77. 3. Kamel, H.A. and McCabe, M.W., GIFTS : Graphics Oriented Interactive Finite Element Time-Sharing System. Structural Mechanics

Design and fabrication of microstrip antenna arrays

NASA Technical Reports Server (NTRS)

1978-01-01

A microstrip array project was conducted to demonstrate the feasibility of designing and fabricating simple, low cost, low sidelobe phased arrays with circular disk microstrip radiating elements. Design data were presented for microstrip elements and arrays including the effects of the protective covers, the mutual interaction between elements, and stripline feed network design. Low cost multilayer laminate fabrication techniques were also investigated. Utilizing this design data two C-band low sidelobe arrays were fabricated and tested: an eight-element linear and a sixty-four element planar array. These arrays incorporated stripline Butler matrix feed networks to produce a low sidelobe broadside beam.

Factorization in large-scale many-body calculations

DOE PAGES

Johnson, Calvin W.; Ormand, W. Erich; Krastev, Plamen G.

2013-08-07

One approach for solving interacting many-fermion systems is the configuration-interaction method, also sometimes called the interacting shell model, where one finds eigenvalues of the Hamiltonian in a many-body basis of Slater determinants (antisymmetrized products of single-particle wavefunctions). The resulting Hamiltonian matrix is typically very sparse, but for large systems the nonzero matrix elements can nonetheless require terabytes or more of storage. An alternate algorithm, applicable to a broad class of systems with symmetry, in our case rotational invariance, is to exactly factorize both the basis and the interaction using additive/multiplicative quantum numbers; such an algorithm recreates the many-body matrix elementsmore » on the fly and can reduce the storage requirements by an order of magnitude or more. Here, we discuss factorization in general and introduce a novel, generalized factorization method, essentially a ‘double-factorization’ which speeds up basis generation and set-up of required arrays. Although we emphasize techniques, we also place factorization in the context of a specific (unpublished) configuration-interaction code, BIGSTICK, which runs both on serial and parallel machines, and discuss the savings in memory due to factorization.« less

Some properties of the two-body effective interaction in the /sup 208/Pb region

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

Groleau, R.

The (/sup 3/He,d) and (/sup 4/He,t) single proton transfer reactions on /sup 208/Pb and /sup 209/Bi were studied using 30 and 40 MeV He beams from the Princeton Cyclotron Laboratory. The outgoing d and t were detected by a position sensitive proportional counter in the focal plane of a Q-3D spectrometer. The resolution varied between 10 and 14 keV (FWHM). Using the ratio of the cross-sections for the (/sup 3/He,d) and (/sup 4/He,t) reactions to determine the magnitude of the angular momentum transfers, the spectroscopic factors for the reaction on /sup 209/Bi have been measured relative to the transitions tomore » the single particle states in these reactions on /sup 208/Pb. Sum rules as developed by Bansal and French are used to study the configurations vertical bar h/sub 9/2 x h/sub 9/2/>, vertical bar h/sub 9/2/ x f/sub 7/2/>, vertical bar h/sub 9/2 x i/sub 13/2/>, vertical bar h/sub 9/2/ x f/sub 5/2/>and part of vertical bar h/sub 9/2/ x p/sub 3/2/> and vertical bar h/sub 9/2/ x p/sub 1/2>. Using the linear energy weighted sum rule, the diagonal matrix elements of the effective interaction between valence protons around the /sup 208/Pb core are deduced. The matrix elements obtained from a simple empirical interaction V/sub I//sup T=1/ of a pure Wigner type are compared to the extracted matrix elements. The interaction is characterized by an attractive short-range (0.82j and a repulsive long-range (8.2fm) potential: V/sub I//sup T = 1/ (MeV =-/96 e/sup - (r/0.82) /sup 2// + 0.51 e/sup -(r/8.2)/sup 2/. The core polarization is studied using the experimental static electric quadrupole and magnetic dipole moments of the nuclei in the /sup 208/Pb region. In general, the magnetic moments of multiple valence nucleon nuclei are well predicted by simple rules of Racah algebra. The three and four valence proton spectra (/sup 211/At and /sup 212/Rn) calculated with the experimental two particle matrix elements agree well with the experimental spectra.« less

Finite element solution of transient fluid-structure interaction problems

NASA Technical Reports Server (NTRS)

Everstine, Gordon C.; Cheng, Raymond S.; Hambric, Stephen A.

1991-01-01

A finite element approach using NASTRAN is developed for solving time-dependent fluid-structure interaction problems, with emphasis on the transient scattering of acoustic waves from submerged elastic structures. Finite elements are used for modeling both structure and fluid domains to facilitate the graphical display of the wave motion through both media. For the liquid, the use of velocity potential as the fundamental unknown results in a symmetric matrix equation. The approach is illustrated for the problem of transient scattering from a submerged elastic spherical shell subjected to an incident tone burst. The use of an analogy between the equations of elasticity and the wave equation of acoustics, a necessary ingredient to the procedure, is summarized.

Interdiffusion behaviors in doped molybdenum uranium and aluminum or aluminum silicon dispersion fuels: Effects of the microstructure

NASA Astrophysics Data System (ADS)

Allenou, J.; Tougait, O.; Pasturel, M.; Iltis, X.; Charollais, F.; Anselmet, M. C.; Lemoine, P.

2011-09-01

Si addition to Al is considered as a promising route to reduce (U,Mo)-Al interaction kinetics, due to its accumulation in the interaction layer, yielding the formation of silicide phases. The (U,Mo) alloy microstructure, and especially its homogenization state, could play a role on this accumulation process. The addition of a third element in γ(U,Mo) could also influence diffusion mechanisms of Al and Si. These two parameters were studied by means of diffusion couple experiments by joining γU based alloys with Al and (Al,Si) alloy. Chemical elements X added into γ(U,Mo) were thoroughly chosen on the following criteria: (i) the potential solubility of the alloying element into the γ(U,Mo) matrix, (ii) its capability to form the ternary aluminides based on the CeCr 2Al 20 and Ho 6Mo 4Al 43 - types, and (iii) the feasibility to control the microstructure of the alloys. On this basis, a test matrix is defined. It concerns γ(U80,Mo15,X5) alloys (in at.%) with X = Y, Cu, Zr, Ti or Cr. These alloys were homogenized and coupled with Al or (Al,Si) alloy. Results evidenced, first, the importance of the state of homogenization of the γ(U,Mo) binary alloy on interaction processes with (Al,Si) alloy, and the benefit on the diffusion of Si through the interaction layer, as observed on the elementary concentration profiles, when the third element X has some solubility into γ(U,Mo) alloy.

General MoM Solutions for Large Arrays

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

Fasenfest, B; Capolino, F; Wilton, D R

2003-07-22

This paper focuses on a numerical procedure that addresses the difficulties of dealing with large, finite arrays while preserving the generality and robustness of full-wave methods. We present a fast method based on approximating interactions between sufficiently separated array elements via a relatively coarse interpolation of the Green's function on a uniform grid commensurate with the array's periodicity. The interaction between the basis and testing functions is reduced to a three-stage process. The first stage is a projection of standard (e.g., RWG) subdomain bases onto a set of interpolation functions that interpolate the Green's function on the array face. Thismore » projection, which is used in a matrix/vector product for each array cell in an iterative solution process, need only be carried out once for a single cell and results in a low-rank matrix. An intermediate stage matrix/vector product computation involving the uniformly sampled Green's function is of convolutional form in the lateral (transverse) directions so that a 2D FFT may be used. The final stage is a third matrix/vector product computation involving a matrix resulting from projecting testing functions onto the Green's function interpolation functions; the low-rank matrix is either identical to (using Galerkin's method) or similar to that for the bases projection. An effective MoM solution scheme is developed for large arrays using a modification of the AIM (Adaptive Integral Method) method. The method permits the analysis of arrays with arbitrary contours and nonplanar elements. Both fill and solve times within the MoM method are improved with respect to more standard MoM solvers.« less

An adhesive contact mechanics formulation based on atomistically induced surface traction

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

Fan, Houfu; Ren, Bo; Li, Shaofan, E-mail: shaofan@berkeley.edu

2015-12-01

In this work, we have developed a novel multiscale computational contact formulation based on the generalized Derjuguin approximation for continua that are characterized by atomistically enriched constitutive relations in order to study macroscopic interaction between arbitrarily shaped deformable continua. The proposed adhesive contact formulation makes use of the microscopic interaction forces between individual particles in the interacting bodies. In particular, the double-layer volume integral describing the contact interaction (energy, force vector, matrix) is converted into a double-layer surface integral through a mathematically consistent approach that employs the divergence theorem and a special partitioning technique. The proposed contact model is formulatedmore » in the nonlinear continuum mechanics framework and implemented using the standard finite element method. With no large penalty constant, the stiffness matrix of the system will in general be well-conditioned, which is of great significance for quasi-static analysis. Three numerical examples are presented to illustrate the capability of the proposed method. Results indicate that with the same mesh configuration, the finite element computation based on the surface integral approach is faster and more accurate than the volume integral based approach. In addition, the proposed approach is energy preserving even in a very long dynamic simulation.« less

Electronic coupling between Watson-Crick pairs for hole transfer and transport in desoxyribonucleic acid

NASA Astrophysics Data System (ADS)

Voityuk, Alexander A.; Jortner, Joshua; Bixon, M.; Rösch, Notker

2001-04-01

Electronic matrix elements for hole transfer between Watson-Crick pairs in desoxyribonucleic acid (DNA) of regular structure, calculated at the Hartree-Fock level, are compared with the corresponding intrastrand and interstrand matrix elements estimated for models comprised of just two nucleobases. The hole transfer matrix element of the GAG trimer duplex is calculated to be larger than that of the GTG duplex. "Through-space" interaction between two guanines in the trimer duplexes is comparable with the coupling through an intervening Watson-Crick pair. The gross features of bridge specificity and directional asymmetry of the electronic matrix elements for hole transfer between purine nucleobases in superstructures of dimer and trimer duplexes have been discussed on the basis of the quantum chemical calculations. These results have also been analyzed with a semiempirical superexchange model for the electronic coupling in DNA duplexes of donor (nuclobases)-acceptor, which incorporates adjacent base-base electronic couplings and empirical energy gaps corrected for solvation effects; this perturbation-theory-based model interpretation allows a theoretical evaluation of experimental observables, i.e., the absolute values of donor-acceptor electronic couplings, their distance dependence, and the reduction factors for the intrastrand hole hopping or trapping rates upon increasing the size of the nucleobases bridge. The quantum chemical results point towards some limitations of the perturbation-theory-based modeling.

Regulation of Corneal Stroma Extracellular Matrix Assembly

PubMed Central

Chen, Shoujun; Mienaltowski, Michael J.; Birk, David E.

2014-01-01

The transparent cornea is the major refractive element of the eye. A finely controlled assembly of the stromal extracellular matrix is critical to corneal function, as well as in establishing the appropriate mechanical stability required to maintain corneal shape and curvature. In the stroma, homogeneous, small diameter collagen fibrils, regularly packed with a highly ordered hierarchical organization, are essential for function. This review focuses on corneal stroma assembly and the regulation of collagen fibrillogenesis. Corneal collagen fibrillogenesis involves multiple molecules interacting in sequential steps, as well as interactions between keratocytes and stroma matrix components. The stroma has the highest collagen V:I ratio in the body. Collagen V regulates the nucleation of protofibril assembly, thus controlling the number of fibrils and assembly of smaller diameter fibrils in the stroma. The corneal stroma is also enriched in small leucine-rich proteoglycans (SLRPs) that cooperate in a temporal and spatial manner to regulate linear and lateral collagen fibril growth. In addition, the fibril-associated collagens (FACITs) such as collagen XII and collagen XIV have roles in the regulation of fibril packing and inter-lamellar interactions. A communicating keratocyte network contributes to the overall and long-range regulation of stromal extracellular matrix assembly, by creating micro-domains where the sequential steps in stromal matrix assembly are controlled. Keratocytes control the synthesis of extracellular matrix components, which interact with the keratocytes dynamically to coordinate the regulatory steps into a cohesive process. Mutations or deficiencies in stromal regulatory molecules result in altered interactions and deficiencies in both transparency and refraction, leading to corneal stroma pathobiology such as stromal dystrophies, cornea plana and keratoconus. PMID:25819456

DART model for irradiation-induced swelling of dispersion fuel elements including aluminum-fuel interaction

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

Rest, J.; Hofman, G.L.

1997-12-01

The Dispersion Analysis Research Tool (DART) contains models for fission-gas-induced fuel swelling, interaction of fuel with the matrix aluminum, for the resultant reaction-product swelling, and for the calculation of the stress gradient within the fuel particle. The effects of an aluminide shell on fuel particle swelling are evaluated. Validation of the model is demonstrated by a comparison of DART calculations of fuel swelling of U{sub 3}SiAl-Al and U{sub 3}Si{sub 2}-Al for various dispersion fuel element designs with the data.

Random matrix theory for transition strengths: Applications and open questions

NASA Astrophysics Data System (ADS)

Kota, V. K. B.

2017-12-01

Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated interacting quantum many-particle systems. A finite quantum system, induced by a transition operator, makes transitions from its states to the states of the same system or to those of another system. Examples are electromagnetic transitions (then the initial and final systems are same), nuclear beta and double beta decay (then the initial and final systems are different) and so on. Using embedded ensembles (EE), there are efforts to derive a good statistical theory for transition strengths. With m fermions (or bosons) in N mean-field single particle levels and interacting via two-body forces, we have with GOE embedding, the so called EGOE(1+2). Now, the transition strength density (transition strength multiplied by the density of states at the initial and final energies) is a convolution of the density generated by the mean-field one-body part with a bivariate spreading function due to the two-body interaction. Using the embedding U(N) algebra, it is established, for a variety of transition operators, that the spreading function, for sufficiently strong interactions, is close to a bivariate Gaussian. Also, as the interaction strength increases, the spreading function exhibits a transition from bivariate Breit-Wigner to bivariate Gaussian form. In appropriate limits, this EE theory reduces to the polynomial theory of Draayer, French and Wong on one hand and to the theory due to Flambaum and Izrailev for one-body transition operators on the other. Using spin-cutoff factors for projecting angular momentum, the theory is applied to nuclear matrix elements for neutrinoless double beta decay (NDBD). In this paper we will describe: (i) various developments in the EE theory for transition strengths; (ii) results for nuclear matrix elements for 130Te and 136Xe NDBD; (iii) important open questions in the current form of the EE theory.

Double Gamow-Teller Transitions and its Relation to Neutrinoless β β Decay

NASA Astrophysics Data System (ADS)

Shimizu, Noritaka; Menéndez, Javier; Yako, Kentaro

2018-04-01

We study the double Gamow-Teller (DGT) strength distribution of 48Ca with state-of-the-art large-scale nuclear shell model calculations. Our analysis shows that the centroid energy of the DGT giant resonance depends mostly on the isovector pairing interaction, while the resonance width is more sensitive to isoscalar pairing. Pairing correlations are also key in neutrinoless β β (0 ν β β ) decay. We find a simple relation between the centroid energy of the 48Ca DGT giant resonance and the 0 ν β β decay nuclear matrix element. More generally, we observe a very good linear correlation between the DGT transition to the ground state of the final nucleus and the 0 ν β β decay matrix element. The correlation, which originates on the dominant short-range character of both transitions, extends to heavier systems including several β β emitters and also holds in energy-density functional results. Our findings suggest that DGT experiments can be a very valuable tool to obtain information on the value of 0 ν β β decay nuclear matrix elements.

Condensates of p-wave pairs are exact solutions for rotating two-component Bose gases.

PubMed

Papenbrock, T; Reimann, S M; Kavoulakis, G M

2012-02-17

We derive exact analytical results for the wave functions and energies of harmonically trapped two-component Bose-Einstein condensates with weakly repulsive interactions under rotation. The isospin symmetric wave functions are universal and do not depend on the matrix elements of the two-body interaction. The comparison with the results from numerical diagonalization shows that the ground state and low-lying excitations consist of condensates of p-wave pairs for repulsive contact interactions, Coulomb interactions, and the repulsive interactions between aligned dipoles.

Technique for Solving Electrically Small to Large Structures for Broadband Applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram; Chowdhury, Indranil

2011-01-01

Fast iterative algorithms are often used for solving Method of Moments (MoM) systems, having a large number of unknowns, to determine current distribution and other parameters. The most commonly used fast methods include the fast multipole method (FMM), the precorrected fast Fourier transform (PFFT), and low-rank QR compression methods. These methods reduce the O(N) memory and time requirements to O(N log N) by compressing the dense MoM system so as to exploit the physics of Green s Function interactions. FFT-based techniques for solving such problems are efficient for spacefilling and uniform structures, but their performance substantially degrades for non-uniformly distributed structures due to the inherent need to employ a uniform global grid. FMM or QR techniques are better suited than FFT techniques; however, neither the FMM nor the QR technique can be used at all frequencies. This method has been developed to efficiently solve for a desired parameter of a system or device that can include both electrically large FMM elements, and electrically small QR elements. The system or device is set up as an oct-tree structure that can include regions of both the FMM type and the QR type. The system is enclosed with a cube at a 0- th level, splitting the cube at the 0-th level into eight child cubes. This forms cubes at a 1st level, recursively repeating the splitting process for cubes at successive levels until a desired number of levels is created. For each cube that is thus formed, neighbor lists and interaction lists are maintained. An iterative solver is then used to determine a first matrix vector product for any electrically large elements as well as a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large and small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within the predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter. The solution for the desired parameter is then presented to a user in a tangible form; for example, on a display.

Reduced-Density-Matrix Description of Decoherence and Relaxation Processes for Electron-Spin Systems

NASA Astrophysics Data System (ADS)

Jacobs, Verne

2017-04-01

Electron-spin systems are investigated using a reduced-density-matrix description. Applications of interest include trapped atomic systems in optical lattices, semiconductor quantum dots, and vacancy defect centers in solids. Complimentary time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations are self-consistently developed. The general non-perturbative and non-Markovian formulations provide a fundamental framework for systematic evaluations of corrections to the standard Born (lowest-order-perturbation) and Markov (short-memory-time) approximations. Particular attention is given to decoherence and relaxation processes, as well as spectral-line broadening phenomena, that are induced by interactions with photons, phonons, nuclear spins, and external electric and magnetic fields. These processes are treated either as coherent interactions or as environmental interactions. The environmental interactions are incorporated by means of the general expressions derived for the time-domain and frequency-domain Liouville-space self-energy operators, for which the tetradic-matrix elements are explicitly evaluated in the diagonal-resolvent, lowest-order, and Markov (short-memory time) approximations. Work supported by the Office of Naval Research through the Basic Research Program at The Naval Research Laboratory.

On the non-linear spectroscopy including saturated absorption and four-wave mixing in two and multi-level atoms: a computational study

NASA Astrophysics Data System (ADS)

Patel, M.; De Jager, G.; Nkosi, Z.; Wyngaard, A.; Govender, K.

2017-10-01

In this paper we report on the study of two and multi-level atoms interacting with multiple laser beams. The semi-classical approach is used to describe the system in which the atoms are treated quantum mechanically via the density matrix operator, while the laser beams are treated classically using Maxwells equations. We present results of a two level atom interacting with single and multiple laser beams and demonstrate Rabi oscillations between the levels. The effects of laser modulation on the dynamics of the atom (atomic populations and coherences) are examined by solving the optical Bloch equations. Plots of the density matrix elements as a function of time are presented for various parameters such as laser intensity, detuning, modulation etc. In addition, phase-space plots and Fourier analysis of the density matrix elements are provided. The atomic polarization, estimated from the coherence terms of the density matrix elements, is used in the numerical solution of Maxwells equations to determine the behaviour of the laser beams as they propagate through the atomic ensemble. The effects of saturation and hole-burning are demonstrated in the case of two counter propagating beams with one being a strong beam and the other being very weak. The above work is extended to include four-wave mixing in four level atoms in a diamond configuration. Two co-propagating beams of different wavelengths drive the atoms from a ground state |1〉 to an excited state |3〉 via an intermediate state |2〉. The atoms then move back to the ground state via another intermediate state |4〉, resulting in the generation of two additional correlated photon beams. The characteristics of these additional photons are studied.

Charge-transfer contributions to the excitonic coupling matrix element in BODIPY-based energy transfer cassettes

NASA Astrophysics Data System (ADS)

Spiegel, J. Dominik; Lyskov, Igor; Kleinschmidt, Martin; Marian, Christel M.

2017-01-01

BODIPY-based dyads serve as model systems for the investigation of excitation energy transfer (EET). Through-space EET is brought about by direct and exchange interactions between the transition densities of donor and acceptor localized states. The presence of a molecular linker gives rise to additional charge transfer (CT) contributions. Here, we present a novel approach for the calculation of the excitonic coupling matrix element (ECME) including CT contributions which is based on supermolecular one-electron transition density matrices (STD). The validity of the approach is assessed for a model system of two π -stacked ethylene molecules at varying intermolecular separation. Wave functions and electronic excitation energies of five EET cassettes comprising anthracene as exciton donor and BODIPY as exciton acceptor are obtained by the redesigned combined density functional theory and multireference configuration interaction (DFT/MRCI-R) method. CT contributions to the ECME are shown to be important in the covalently linked EET cassettes.

Coupled spin and electron-phonon interaction at the Tl/Si(111) surface from relativistic first-principles calculations

NASA Astrophysics Data System (ADS)

Garcia-Goiricelaya, Peio; Gurtubay, Idoia G.; Eiguren, Asier

2018-05-01

We investigate the role played by the electron spin and the spin-orbit interaction in the exceptional electron-phonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this system dominates the whole low-energy electron-phonon physics, which is remarkably explained by forbidden spin-spin scattering channels. In particular, we show that the strength of the electron-phonon coupling appears drastically weakened for surface states close to the K ¯ and K'¯ valleys, which is unambiguously attributed to the spin polarization through the associated modulation due to the spinor overlaps. However, close to the Γ ¯ point, the particular spin pattern in this area is less effective in damping the electron-phonon matrix elements, and the result is an exceptional strength of the electron-phonon coupling parameter λ ˜1.4 . These results are rationalized by a simple model for the electron-phonon matrix elements including the spinor terms.

A test matrix sequencer for research test facility automation

NASA Technical Reports Server (NTRS)

Mccartney, Timothy P.; Emery, Edward F.

1990-01-01

The hardware and software configuration of a Test Matrix Sequencer, a general purpose test matrix profiler that was developed for research test facility automation at the NASA Lewis Research Center, is described. The system provides set points to controllers and contact closures to data systems during the course of a test. The Test Matrix Sequencer consists of a microprocessor controlled system which is operated from a personal computer. The software program, which is the main element of the overall system is interactive and menu driven with pop-up windows and help screens. Analog and digital input/output channels can be controlled from a personal computer using the software program. The Test Matrix Sequencer provides more efficient use of aeronautics test facilities by automating repetitive tasks that were once done manually.

ARC: An open-source library for calculating properties of alkali Rydberg atoms

NASA Astrophysics Data System (ADS)

Šibalić, N.; Pritchard, J. D.; Adams, C. S.; Weatherill, K. J.

2017-11-01

We present an object-oriented Python library for the computation of properties of highly-excited Rydberg states of alkali atoms. These include single-body effects such as dipole matrix elements, excited-state lifetimes (radiative and black-body limited) and Stark maps of atoms in external electric fields, as well as two-atom interaction potentials accounting for dipole and quadrupole coupling effects valid at both long and short range for arbitrary placement of the atomic dipoles. The package is cross-referenced to precise measurements of atomic energy levels and features extensive documentation to facilitate rapid upgrade or expansion by users. This library has direct application in the field of quantum information and quantum optics which exploit the strong Rydberg dipolar interactions for two-qubit gates, robust atom-light interfaces and simulating quantum many-body physics, as well as the field of metrology using Rydberg atoms as precise microwave electrometers. Program Files doi:http://dx.doi.org/10.17632/hm5n8w628c.1 Licensing provisions: BSD-3-Clause Programming language: Python 2.7 or 3.5, with C extension External Routines: NumPy [1], SciPy [1], Matplotlib [2] Nature of problem: Calculating atomic properties of alkali atoms including lifetimes, energies, Stark shifts and dipole-dipole interaction strengths using matrix elements evaluated from radial wavefunctions. Solution method: Numerical integration of radial Schrödinger equation to obtain atomic wavefunctions, which are then used to evaluate dipole matrix elements. Properties are calculated using second order perturbation theory or exact diagonalisation of the interaction Hamiltonian, yielding results valid even at large external fields or small interatomic separation. Restrictions: External electric field fixed to be parallel to quantisation axis. Supplementary material: Detailed documentation (.html), and Jupyter notebook with examples and benchmarking runs (.html and .ipynb). [1] T.E. Oliphant, Comput. Sci. Eng. 9, 10 (2007). http://www.scipy.org/. [2] J.D. Hunter, Comput. Sci. Eng. 9, 90 (2007). http://matplotlib.org/.

Pairing matrix elements and pairing gaps with bare, effective, and induced interactions

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

Barranco, F.; Bortignon, P.F.; Colo, G.

2005-11-01

The dependence on the single-particle states of the pairing matrix elements of the Gogny force and of the bare low-momentum nucleon-nucleon potential v{sub low-k}--designed so as to reproduce the low-energy observables avoiding the use of a repulsive core--is studied for a typical finite, superfluid nucleus ({sup 120}Sn). It is found that the matrix elements of v{sub low-k} follow closely those of v{sub Gogny} on a wide range of energy values around the Fermi energy e{sub F}, those associated with v{sub low-k} being less attractive. This result explains the fact that around e{sub F} the pairing gap {delta}{sub Gogny} associated withmore » the Gogny interaction (and with a density of single-particle levels corresponding to an effective k mass m{sub k}{approx_equal}0.7 m) is a factor of about 2 larger than {delta}{sub low-k}, being in agreement with {delta}{sub exp}=1.4 MeV. The exchange of low-lying collective surface vibrations among pairs of nucleons moving in time-reversal states gives rise to an induced pairing interaction v{sub ind} peaked at e{sub F}. The interaction (v{sub low-k}+v{sub ind}) Z{sub {omega}} arising from the renormalization of the bare nucleon-nucleon potential and of the single-particle motion ({omega}-mass and quasiparticle strength Z{sub {omega}}) associated with the particle-vibration coupling mechanism, leads to a value of the pairing gap at the Fermi energy {delta}{sub ren} that accounts for the experimental value. An important question that remains to be studied quantitatively is to what extent {delta}{sub Gogny}, which depends on average parameters, and {delta}{sub ren}, which explicitly depends on the parameters describing the (low-energy) nuclear structure, display or not a similar isotopic dependence and whether this dependence is borne out by the data.« less

Coherence Evolution and Transfer Supplemented by Sender's Initial-State Restoring

NASA Astrophysics Data System (ADS)

Fel'dman, E. B.; Zenchuk, A. I.

2017-12-01

The evolution of quantum coherences comes with a set of conservation laws provided that the Hamiltonian governing this evolution conserves the spin-excitation number. At that, coherences do not intertwist during the evolution. Using the transmission line and the receiver in the initial ground state we can transfer the coherences to the receiver without interaction between them, although the matrix elements contributing to each particular coherence intertwist in the receiver's state. Therefore we propose a tool based on the unitary transformation at the receiver side to untwist these elements and thus restore (at least partially) the structure of the sender's initial density matrix. A communication line with two-qubit sender and receiver is considered as an example of implementation of this technique.

Neutrinoless Double Beta Decay Matrix Elements in Light Nuclei

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

Pastore, S.; Carlson, J.; Cirigliano, V.

We present the first ab initio calculations of neutrinoless double-β decay matrix elements in A=6-12 nuclei using variational Monte Carlo wave functions obtained from the Argonne v 18 two-nucleon potential and Illinois-7 three-nucleon interaction. We study both light Majorana neutrino exchange and potentials arising from a large class of multi-TeV mechanisms of lepton-number violation. Our results provide benchmarks to be used in testing many-body methods that can be extended to the heavy nuclei of experimental interest. In light nuclei we also study the impact of two-body short-range correlations and the use of different forms for the transition operators, such asmore » those corresponding to different orders in chiral effective theory.« less

Regulation of corneal stroma extracellular matrix assembly.

PubMed

Chen, Shoujun; Mienaltowski, Michael J; Birk, David E

2015-04-01

The transparent cornea is the major refractive element of the eye. A finely controlled assembly of the stromal extracellular matrix is critical to corneal function, as well as in establishing the appropriate mechanical stability required to maintain corneal shape and curvature. In the stroma, homogeneous, small diameter collagen fibrils, regularly packed with a highly ordered hierarchical organization, are essential for function. This review focuses on corneal stroma assembly and the regulation of collagen fibrillogenesis. Corneal collagen fibrillogenesis involves multiple molecules interacting in sequential steps, as well as interactions between keratocytes and stroma matrix components. The stroma has the highest collagen V:I ratio in the body. Collagen V regulates the nucleation of protofibril assembly, thus controlling the number of fibrils and assembly of smaller diameter fibrils in the stroma. The corneal stroma is also enriched in small leucine-rich proteoglycans (SLRPs) that cooperate in a temporal and spatial manner to regulate linear and lateral collagen fibril growth. In addition, the fibril-associated collagens (FACITs) such as collagen XII and collagen XIV have roles in the regulation of fibril packing and inter-lamellar interactions. A communicating keratocyte network contributes to the overall and long-range regulation of stromal extracellular matrix assembly, by creating micro-domains where the sequential steps in stromal matrix assembly are controlled. Keratocytes control the synthesis of extracellular matrix components, which interact with the keratocytes dynamically to coordinate the regulatory steps into a cohesive process. Mutations or deficiencies in stromal regulatory molecules result in altered interactions and deficiencies in both transparency and refraction, leading to corneal stroma pathobiology such as stromal dystrophies, cornea plana and keratoconus. Copyright © 2014 Elsevier Ltd. All rights reserved.

Multichannel-Hadamard calibration of high-order adaptive optics systems.

PubMed

Guo, Youming; Rao, Changhui; Bao, Hua; Zhang, Ang; Zhang, Xuejun; Wei, Kai

2014-06-02

we present a novel technique of calibrating the interaction matrix for high-order adaptive optics systems, called the multichannel-Hadamard method. In this method, the deformable mirror actuators are firstly divided into a series of channels according to their coupling relationship, and then the voltage-oriented Hadamard method is applied to these channels. Taking the 595-element adaptive optics system as an example, the procedure is described in detail. The optimal channel dividing is discussed and tested by numerical simulation. The proposed method is also compared with the voltage-oriented Hadamard only method and the multichannel only method by experiments. Results show that the multichannel-Hadamard method can produce significant improvement on interaction matrix measurement.

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

Matrix elements and duality for type 2 unitary representations of the Lie superalgebra gl(m|n)

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

Werry, Jason L.; Gould, Mark D.; Isaac, Phillip S.

The characteristic identity formalism discussed in our recent articles is further utilized to derive matrix elements of type 2 unitary irreducible gl(m|n) modules. In particular, we give matrix element formulae for all gl(m|n) generators, including the non-elementary generators, together with their phases on finite dimensional type 2 unitary irreducible representations which include the contravariant tensor representations and an additional class of essentially typical representations. Remarkably, we find that the type 2 unitary matrix element equations coincide with the type 1 unitary matrix element equations for non-vanishing matrix elements up to a phase.

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.

Second quantization techniques in the scattering of nonidentical composite bodies

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Townsend, L. W.; Deutchman, P. A.

1986-01-01

Second quantization techniques for describing elastic and inelastic interactions between nonidentical composite bodies are presented and are applied to nucleus-nucleus collisions involving ground-state and one-particle-one-hole excitations. Evaluations of the resultant collision matrix elements are made through use of Wick's theorem.

The nuclear matrix protein NMP-1 is the transcription factor YY1.

PubMed Central

Guo, B; Odgren, P R; van Wijnen, A J; Last, T J; Nickerson, J; Penman, S; Lian, J B; Stein, J L; Stein, G S

1995-01-01

NMP-1 was initially identified as a nuclear matrix-associated DNA-binding factor that exhibits sequence-specific recognition for the site IV regulatory element of a histone H4 gene. This distal promoter domain is a nuclear matrix interaction site. In the present study, we show that NMP-1 is the multifunctional transcription factor YY1. Gel-shift and Western blot analyses demonstrate that NMP-1 is immunoreactive with YY1 antibody. Furthermore, purified YY1 protein specifically recognizes site IV and reconstitutes the NMP-1 complex. Western blot and gel-shift analyses indicate that YY1 is present within the nuclear matrix. In situ immunofluorescence studies show that a significant fraction of YY1 is localized in the nuclear matrix, principally but not exclusively associated with residual nucleoli. Our results confirm that NMP-1/YY1 is a ubiquitous protein that is present in both human cells and in rat osteosarcoma ROS 17/2.8 cells. The finding that NMP-1 is identical to YY1 suggests that this transcriptional regulator may mediate gene-matrix interactions. Our results are consistent with the concept that the nuclear matrix may functionally compartmentalize the eukaryotic nucleus to support regulation of gene expression. Images Fig. 2 Fig. 3 Fig. 4 Fig. 5 Fig. 6 PMID:7479833

Connective stability of nonlinear matrix systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.

1974-01-01

Consideration of stability under structural perturbations of free dynamic systems described by the differential equation dx/dt = A(t,x)x, where the matrix A(t,x) has time-varying nonlinear elements. The concept of 'connective stability' is introduced to study the structural properties of competitive-cooperative nonlinear matrix systems. It is shown that stability reliability in such systems is high and that they remain stable despite time-varying (including 'on-off') interaction among individual agents present in the system. The results obtained can be used to study stability aspects of mathematical models arising in as diverse fields as economics, biology, arms races, and transistor circuits.

Thermomechanical and Environmental Durability of Environmental Barrier Coated Ceramic Matrix Composites Under Thermal Gradients

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Bhatt, Ramakrishna T.; Harder, Bryan

2016-01-01

This paper presents the developments of thermo-mechanical testing approaches and durability performance of environmental barrier coatings (EBCs) and EBC coated SiCSiC ceramic matrix composites (CMCs). Critical testing aspects of the CMCs will be described, including state of the art instrumentations such as temperature, thermal gradient, and full field strain measurements; materials thermal conductivity evolutions and thermal stress resistance; NDE methods; thermo-mechanical stress and environment interactions associated damage accumulations. Examples are also given for testing ceramic matrix composite sub-elements and small airfoils to help better understand the critical and complex CMC and EBC properties in engine relevant testing environments.

Finite element analysis of stress transfer mechanism from matrix to the fiber in SWCN reinforced nanocomposites

NASA Astrophysics Data System (ADS)

Günay, E.

2017-02-01

This study defined as micromechanical finite element (FE) approach examining the stress transfer mechanism in single-walled carbon nanotube (SWCN) reinforced composites. In the modeling, 3D unit-cell method was evaluated. Carbon nanotube reinforced composites were modeled as three layers which comprises CNT, interface and matrix material. Firstly; matrix, fiber and interfacial materials all together considered as three layered cylindrical nanocomposite. Secondly, the cylindrical matrix material was assumed to be isotropic and also considered as a continuous medium. Then, fiber material was represented with zigzag type SWCNs. Finally, SWCN was combined with the elastic medium by using springs with different constants. In the FE modeling of SWCN reinforced composite model springs were modeled by using ANSYS spring damper element COMBIN14. The developed interfacial van der Waals interaction effects between the continuous matrix layer and the carbon nanotube fiber layer were simulated by applying these various spring stiffness values. In this study, the layered composite cylindrical FE model was presented as the equivalent mechanical properties of SWCN structures in terms of Young's modulus. The obtained results and literature values were presented and discussed. Figures, 16, 17, and 18 of the original article PDF file, as supplied to AIP Publishing, were affected by a PDF-processing error. Consequently, a solid diamond symbol appeared instead of a Greek tau on the y axis labels for these three figures. This article was updated on 17 March 2017 to correct the PDF-processing error, with the scientific content remaining unchanged.

Acoustic coupled fluid-structure interactions using a unified fast multipole boundary element method.

PubMed

Wilkes, Daniel R; Duncan, Alec J

2015-04-01

This paper presents a numerical model for the acoustic coupled fluid-structure interaction (FSI) of a submerged finite elastic body using the fast multipole boundary element method (FMBEM). The Helmholtz and elastodynamic boundary integral equations (BIEs) are, respectively, employed to model the exterior fluid and interior solid domains, and the pressure and displacement unknowns are coupled between conforming meshes at the shared boundary interface to achieve the acoustic FSI. The low frequency FMBEM is applied to both BIEs to reduce the algorithmic complexity of the iterative solution from O(N(2)) to O(N(1.5)) operations per matrix-vector product for N boundary unknowns. Numerical examples are presented to demonstrate the algorithmic and memory complexity of the method, which are shown to be in good agreement with the theoretical estimates, while the solution accuracy is comparable to that achieved by a conventional finite element-boundary element FSI model.

Bose-Einstein correlations: A study of an invariance group

NASA Astrophysics Data System (ADS)

Bialas, A.; Zalewski, K.

2005-08-01

A group of transformations changing the phases of the elements of the single-particle density matrix, but leaving unchanged the predictions for identical particles concerning the momentum distributions, momentum correlations etc., is identified. Its implications for the determinations of the interaction regions from studies of Bose-Einstein correlations are discussed.

Characteristics of Matrix Metals in Which Fast Diffusion of Foreign Metallic Elements Occurs

NASA Astrophysics Data System (ADS)

Mae, Yoshiharu

2018-04-01

A few foreign elements are known to diffuse faster than the self-diffusion of the matrix metal. However, the characteristics of the matrix metal, which contribute to such fast diffusion remain unknown. In this study, the diffusion coefficients of various elements were plotted on a TC-YM diagram. The matrix metals that show fast diffusion are located in the low thermal conductivity range of the TC-YM diagram, while diffuser elements that undergo fast diffusion are mainly gulf elements such as Fe, Ni, Co, Cr, and Cu. The gulf elements are those that show the largest combination of thermal conductivity and Young's modulus. The great difference in the electron mobility between the matrix metal and diffuser elements generates a repulsive force between them, and the repulsive force—acting between the soft and large atoms of the matrix metal and the hard and small atoms of the diffuser elements—deforms the atoms of the matrix metal to open passageways for fast diffusion of diffuser elements.

Beyond-Standard-Model Tensor Interaction and Hadron Phenomenology.

PubMed

Courtoy, Aurore; Baeßler, Stefan; González-Alonso, Martín; Liuti, Simonetta

2015-10-16

We evaluate the impact of recent developments in hadron phenomenology on extracting possible fundamental tensor interactions beyond the standard model. We show that a novel class of observables, including the chiral-odd generalized parton distributions, and the transversity parton distribution function can contribute to the constraints on this quantity. Experimental extractions of the tensor hadronic matrix elements, if sufficiently precise, will provide a, so far, absent testing ground for lattice QCD calculations.

Computational simulation of the creep-rupture process in filamentary composite materials

NASA Technical Reports Server (NTRS)

Slattery, Kerry T.; Hackett, Robert M.

1991-01-01

A computational simulation of the internal damage accumulation which causes the creep-rupture phenomenon in filamentary composite materials is developed. The creep-rupture process involves complex interactions between several damage mechanisms. A statistically-based computational simulation using a time-differencing approach is employed to model these progressive interactions. The finite element method is used to calculate the internal stresses. The fibers are modeled as a series of bar elements which are connected transversely by matrix elements. Flaws are distributed randomly throughout the elements in the model. Load is applied, and the properties of the individual elements are updated at the end of each time step as a function of the stress history. The simulation is continued until failure occurs. Several cases, with different initial flaw dispersions, are run to establish a statistical distribution of the time-to-failure. The calculations are performed on a supercomputer. The simulation results compare favorably with the results of creep-rupture experiments conducted at the Lawrence Livermore National Laboratory.

Change in the frequency and intensity of the spectral lines of a hydrogen-like atom in the field of a point charge

NASA Astrophysics Data System (ADS)

Ovsyannikov, V. D.; Kamenskii, A. A.

2002-03-01

The changes in the wave functions and the energies of a hydrogen-like atom in the static field of a structureless charged particle are calculated in the asymptotic approximation. The corrections to the energy of states, as well as to the dipole matrix elements of radiative transitions caused by the interaction of the atom with the point charge at long range are calculated using the perturbation theory and the Sturm series for a reduced Coulomb Green’s function in parabolic coordinates. The analytical expressions are derived and tables of numerical values of the coefficients of asymptotic series that determine the corrections to the matrix elements and the intensities of transitions of the Lyman and Balmer series are presented.

Proposed framework for thermomechanical life modeling of metal matrix composites

NASA Technical Reports Server (NTRS)

Halford, Gary R.; Lerch, Bradley A.; Saltsman, James F.

1993-01-01

The framework of a mechanics of materials model is proposed for thermomechanical fatigue (TMF) life prediction of unidirectional, continuous-fiber metal matrix composites (MMC's). Axially loaded MMC test samples are analyzed as structural components whose fatigue lives are governed by local stress-strain conditions resulting from combined interactions of the matrix, interfacial layer, and fiber constituents. The metallic matrix is identified as the vehicle for tracking fatigue crack initiation and propagation. The proposed framework has three major elements. First, TMF flow and failure characteristics of in situ matrix material are approximated from tests of unreinforced matrix material, and matrix TMF life prediction equations are numerically calibrated. The macrocrack initiation fatigue life of the matrix material is divided into microcrack initiation and microcrack propagation phases. Second, the influencing factors created by the presence of fibers and interfaces are analyzed, characterized, and documented in equation form. Some of the influences act on the microcrack initiation portion of the matrix fatigue life, others on the microcrack propagation life, while some affect both. Influencing factors include coefficient of thermal expansion mismatch strains, residual (mean) stresses, multiaxial stress states, off-axis fibers, internal stress concentrations, multiple initiation sites, nonuniform fiber spacing, fiber debonding, interfacial layers and cracking, fractured fibers, fiber deflections of crack fronts, fiber bridging of matrix cracks, and internal oxidation along internal interfaces. Equations exist for some, but not all, of the currently identified influencing factors. The third element is the inclusion of overriding influences such as maximum tensile strain limits of brittle fibers that could cause local fractures and ensuing catastrophic failure of surrounding matrix material. Some experimental data exist for assessing the plausibility of the proposed framework.

Effect of Degeneration on Fluid-Solid Interaction within Intervertebral Disk Under Cyclic Loading - A Meta-Model Analysis of Finite Element Simulations.

PubMed

Nikkhoo, Mohammad; Khalaf, Kinda; Kuo, Ya-Wen; Hsu, Yu-Chun; Haghpanahi, Mohammad; Parnianpour, Mohamad; Wang, Jaw-Lin

2015-01-01

The risk of low back pain resulted from cyclic loadings is greater than that resulted from prolonged static postures. Disk degeneration results in degradation of disk solid structures and decrease of water contents, which is caused by activation of matrix digestive enzymes. The mechanical responses resulted from internal solid-fluid interactions of degenerative disks to cyclic loadings are not well studied yet. The fluid-solid interactions in disks can be evaluated by mathematical models, especially the poroelastic finite element (FE) models. We developed a robust disk poroelastic FE model to analyze the effect of degeneration on solid-fluid interactions within disk subjected to cyclic loadings at different loading frequencies. A backward analysis combined with in vitro experiments was used to find the elastic modulus and hydraulic permeability of intact and enzyme-induced degenerated porcine disks. The results showed that the averaged peak-to-peak disk deformations during the in vitro cyclic tests were well fitted with limited FE simulations and a quadratic response surface regression for both disk groups. The results showed that higher loading frequency increased the intradiscal pressure, decreased the total fluid loss, and slightly increased the maximum axial stress within solid matrix. Enzyme-induced degeneration decreased the intradiscal pressure and total fluid loss, and barely changed the maximum axial stress within solid matrix. The increase of intradiscal pressure and total fluid loss with loading frequency was less sensitive after the frequency elevated to 0.1 Hz for the enzyme-induced degenerated disk. Based on this study, it is found that enzyme-induced degeneration decreases energy attenuation capability of disk, but less change the strength of disk.

Effect of Degeneration on Fluid–Solid Interaction within Intervertebral Disk Under Cyclic Loading – A Meta-Model Analysis of Finite Element Simulations

PubMed Central

Nikkhoo, Mohammad; Khalaf, Kinda; Kuo, Ya-Wen; Hsu, Yu-Chun; Haghpanahi, Mohammad; Parnianpour, Mohamad; Wang, Jaw-Lin

2015-01-01

The risk of low back pain resulted from cyclic loadings is greater than that resulted from prolonged static postures. Disk degeneration results in degradation of disk solid structures and decrease of water contents, which is caused by activation of matrix digestive enzymes. The mechanical responses resulted from internal solid–fluid interactions of degenerative disks to cyclic loadings are not well studied yet. The fluid–solid interactions in disks can be evaluated by mathematical models, especially the poroelastic finite element (FE) models. We developed a robust disk poroelastic FE model to analyze the effect of degeneration on solid–fluid interactions within disk subjected to cyclic loadings at different loading frequencies. A backward analysis combined with in vitro experiments was used to find the elastic modulus and hydraulic permeability of intact and enzyme-induced degenerated porcine disks. The results showed that the averaged peak-to-peak disk deformations during the in vitro cyclic tests were well fitted with limited FE simulations and a quadratic response surface regression for both disk groups. The results showed that higher loading frequency increased the intradiscal pressure, decreased the total fluid loss, and slightly increased the maximum axial stress within solid matrix. Enzyme-induced degeneration decreased the intradiscal pressure and total fluid loss, and barely changed the maximum axial stress within solid matrix. The increase of intradiscal pressure and total fluid loss with loading frequency was less sensitive after the frequency elevated to 0.1 Hz for the enzyme-induced degenerated disk. Based on this study, it is found that enzyme-induced degeneration decreases energy attenuation capability of disk, but less change the strength of disk. PMID:25674562

Experience in Using a Finite Element Stress and Vibration Package on a Minicomputer,

DTIC Science & Technology

1982-01-01

as the Gra’phics Oricntat.ed Interactive Finite Element Time Sharing Pacl’age ( GIFTS ). This packge has been running on a PDP11/60 minicomputer...Unlike many other FEM packages, GIFTS consists of a collecticon E of fully compatible special purpose programns operating on a se. ef files on disk known...matrix is initiated by running the appropriate ptrojrF:’. from the GIFTS library. The following if, a list of the major (IFtS library programs with a

First Human Brain Imaging by the jPET-D4 Prototype With a Pre-Computed System Matrix

NASA Astrophysics Data System (ADS)

Yamaya, Taiga; Yoshida, Eiji; Obi, Takashi; Ito, Hiroshi; Yoshikawa, Kyosan; Murayama, Hideo

2008-10-01

The jPET-D4 is a novel brain PET scanner which aims to achieve not only high spatial resolution but also high scanner sensitivity by using 4-layer depth-of-interaction (DOI) information. The dimensions of a system matrix for the jPET-D4 are 3.3 billion (lines-of-response) times 5 million (image elements) when a standard field-of-view (FOV) of 25 cm diameter is sampled with a (1.5 mm)3 voxel . The size of the system matrix is estimated as 117 petabytes (PB) with the accuracy of 8 bytes per element. An on-the-fly calculation is usually used to deal with such a huge system matrix. However we cannot avoid extension of the calculation time when we improve the accuracy of system modeling. In this work, we implemented an alternative approach based on pre-calculation of the system matrix. A histogram-based 3D OS-EM algorithm was implemented on a desktop workstation with 32 GB memory installed. The 117 PB system matrix was compressed under the limited amount of computer memory by (1) eliminating zero elements, (2) applying the DOI compression (DOIC) method and (3) applying rotational symmetry and an axial shift property of the crystal arrangement. Spanning, which degrades axial resolution, was not applied. The system modeling and the DOIC method, which had been validated in 2D image reconstruction, were expanded into 3D implementation. In particular, a new system model including the DOIC transformation was introduced to suppress resolution loss caused by the DOIC method. Experimental results showed that the jPET-D4 has almost uniform spatial resolution of better than 3 mm over the FOV. Finally the first human brain images were obtained with the jPET-D4.

The effect of stochiastic technique on estimates of population viability from transition matrix models

USGS Publications Warehouse

Kaye, T.N.; Pyke, David A.

2003-01-01

Population viability analysis is an important tool for conservation biologists, and matrix models that incorporate stochasticity are commonly used for this purpose. However, stochastic simulations may require assumptions about the distribution of matrix parameters, and modelers often select a statistical distribution that seems reasonable without sufficient data to test its fit. We used data from long-term (5a??10 year) studies with 27 populations of five perennial plant species to compare seven methods of incorporating environmental stochasticity. We estimated stochastic population growth rate (a measure of viability) using a matrix-selection method, in which whole observed matrices were selected at random at each time step of the model. In addition, we drew matrix elements (transition probabilities) at random using various statistical distributions: beta, truncated-gamma, truncated-normal, triangular, uniform, or discontinuous/observed. Recruitment rates were held constant at their observed mean values. Two methods of constraining stage-specific survival to a??100% were also compared. Different methods of incorporating stochasticity and constraining matrix column sums interacted in their effects and resulted in different estimates of stochastic growth rate (differing by up to 16%). Modelers should be aware that when constraining stage-specific survival to 100%, different methods may introduce different levels of bias in transition element means, and when this happens, different distributions for generating random transition elements may result in different viability estimates. There was no species effect on the results and the growth rates derived from all methods were highly correlated with one another. We conclude that the absolute value of population viability estimates is sensitive to model assumptions, but the relative ranking of populations (and management treatments) is robust. Furthermore, these results are applicable to a range of perennial plants and possibly other life histories.

Interactions between the nuclear matrix and an enhancer of the tryptophan oxygenase gene

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

Kaneoka, Hidenori; Miyake, Katsuhide, E-mail: miyake@nubio.nagoya-u.ac.jp; Iijima, Shinji

2009-10-02

The gene for tryptophan oxygenase (TO) is expressed in adult hepatocytes in a tissue- and differentiation-specific manner. The TO promoter has two glucocorticoid-responsive elements (GREs), and its expression is regulated by glucocorticoid hormone in the liver. We found a novel GRE in close proximity to a scaffold/matrix attachment region (S/MAR) that was located around -8.5 kb from the transcriptional start site of the TO gene by electrophoretic mobility shift and chromatin immunoprecipitation (ChIP) assays. A combination of nuclear fractionation and quantitative PCR analysis showed that the S/MAR was tethered to the nuclear matrix in both fetal and adult hepatocytes. ChIPmore » assay showed that, in adult hepatocytes, the S/MAR-GRE and the promoter proximal regions interacted with lamin and heterogeneous nuclear ribonucleoprotein U in a dexamethasone dependent manner, but this was not the case in fetal cells, suggesting that developmental stage-specific expression of the TO gene might rely on the binding of the enhancer (the -8.5 kb S/MAR-GRE) and the promoter to the inner nuclear matrix.« less

Modeling Transverse Cracking in Laminates With a Single Layer of Elements Per Ply

NASA Technical Reports Server (NTRS)

Van Der Meer, Frans P.; Davila, Carlos G.

2012-01-01

The objective of the present paper is to investigate the ability of mesolevel X-FEM models with a single layer of elements per ply to capture accurately all aspects of matrix cracking. In particular, we examine whether the model can predict the insitu ply thickness effect on crack initiation and propagation, the crack density as a function of strain, the strain for crack saturation, and the interaction between delamination and transverse cracks. Results reveal that the simplified model does not capture correctly the shear-lag relaxation of the stress field on either side of a crack, which leads to an overprediction of the crack density. It is also shown, however, that after onset of delamination many of the inserted matrix cracks close again, and that the density of open cracks becomes similar to the density predicted by the detailed model. The degree to which the spurious cracks affect the global response is quantified and the reliability of the mesolevel approach with a single layer of elements per ply is discussed.

Embedded random matrix ensembles from nuclear structure and their recent applications

NASA Astrophysics Data System (ADS)

Kota, V. K. B.; Chavda, N. D.

Embedded random matrix ensembles generated by random interactions (of low body rank and usually two-body) in the presence of a one-body mean field, introduced in nuclear structure physics, are now established to be indispensable in describing statistical properties of a large number of isolated finite quantum many-particle systems. Lie algebra symmetries of the interactions, as identified from nuclear shell model and the interacting boson model, led to the introduction of a variety of embedded ensembles (EEs). These ensembles with a mean field and chaos generating two-body interaction generate in three different stages, delocalization of wave functions in the Fock space of the mean-field basis states. The last stage corresponds to what one may call thermalization and complex nuclei, as seen from many shell model calculations, lie in this region. Besides briefly describing them, their recent applications to nuclear structure are presented and they are (i) nuclear level densities with interactions; (ii) orbit occupancies; (iii) neutrinoless double beta decay nuclear transition matrix elements as transition strengths. In addition, their applications are also presented briefly that go beyond nuclear structure and they are (i) fidelity, decoherence, entanglement and thermalization in isolated finite quantum systems with interactions; (ii) quantum transport in disordered networks connected by many-body interactions with centrosymmetry; (iii) semicircle to Gaussian transition in eigenvalue densities with k-body random interactions and its relation to the Sachdev-Ye-Kitaev (SYK) model for majorana fermions.

Monocyte-specific Accessibility of a Matrix Attachment Region in the Tumor Necrosis Factor Locus*

PubMed Central

Biglione, Sebastian; Tsytsykova, Alla V.; Goldfeld, Anne E.

2011-01-01

Regulation of TNF gene expression is cell type- and stimulus-specific. We have previously identified highly conserved noncoding regulatory elements within DNase I-hypersensitive sites (HSS) located 9 kb upstream (HSS−9) and 3 kb downstream (HSS+3) of the TNF gene, which play an important role in the transcriptional regulation of TNF in T cells. They act as enhancers and interact with the TNF promoter and with each other, generating a higher order chromatin structure. Here, we report a novel monocyte-specific AT-rich DNase I-hypersensitive element located 7 kb upstream of the TNF gene (HSS−7), which serves as a matrix attachment region in monocytes. We show that HSS−7 associates with topoisomerase IIα (Top2) in vivo and that induction of endogenous TNF mRNA expression is suppressed by etoposide, a Top2 inhibitor. Moreover, Top2 binds to and cleaves HSS−7 in in vitro analysis. Thus, HSS−7, which is selectively accessible in monocytes, can tether the TNF locus to the nuclear matrix via matrix attachment region formation, potentially promoting TNF gene expression by acting as a Top2 substrate. PMID:22027829

The parity-violating asymmetry in the 3He(n,p)3H reaction

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

M. Viviani, R. Schiavilla, L. Girlanda, A. Kievsky, L.E. Marcucci

2010-10-01

The longitudinal asymmetry induced by parity-violating (PV) components in the nucleon-nucleon potential is studied in the charge-exchange reaction 3He(n,p)3H at vanishing incident neutron energies. An expression for the PV observable is derived in terms of T-matrix elements for transitions from the {2S+1}L_J=1S_0 and 3S_1 states in the incoming n-3He channel to states with J=0 and 1 in the outgoing p-3H channel. The T-matrix elements involving PV transitions are obtained in first-order perturbation theory in the hadronic weak-interaction potential, while those connecting states of the same parity are derived from solutions of the strong-interaction Hamiltonian with the hyperspherical-harmonics method. The coupled-channelmore » nature of the scattering problem is fully accounted for. Results are obtained corresponding to realistic or chiral two- and three-nucleon strong-interaction potentials in combination with either the DDH or pionless EFT model for the weak-interaction potential. The asymmetries, predicted with PV pion and vector-meson coupling constants corresponding (essentially) to the DDH "best values" set, range from -9.44 to -2.48 in units of 10^{-8}, depending on the input strong-interaction Hamiltonian. This large model dependence is a consequence of cancellations between long-range (pion) and short-range (vector-meson) contributions, and is of course sensitive to the assumed values for the PV coupling constants.« less

Three-nucleon force contribution in the distorted-wave theory of (d ,p ) reactions

NASA Astrophysics Data System (ADS)

Timofeyuk, N. K.

2018-05-01

The distorted-wave theory of A (d ,p )B reactions, widely used to analyze experimental data, is based on a Hamiltonian that includes only two-nucleon interactions. However, numerous studies of few-nucleon systems and many modern developments in nuclear structure theory show the importance of the three-nucleon (3 N ) force. The purpose of this paper is to study the contribution of the 3 N force of the simplest possible form to the A (d ,p )B reaction amplitude. This contribution is given by a new term that accounts for the interaction of the neutron and proton in the incoming deuteron with one of the target nucleons. This term involves a new type of nuclear matrix elements containing an infinite number of target excitations in addition to the main part associated with the traditional overlap function between A and B . The nuclear matrix elements are calculated for double-closed shell targets within a mean field theory where target excitations are shown to be equivalent to exchanges between valence and core nucleons. These matrix elements can be readily incorporated into available reaction codes if the 3 N interaction has a spin-independent zero-range form. Distorted-wave calculations are presented for a contact 3 N force with the volume integral fixed by the chiral effective field theory at the next-to-next-to-leading order. For this particular choice, the 3 N contribution is noticeable, especially at high deuteron incident energies. No 3 N effects are seen for incident energies below the Coulomb barrier. The finite range can significantly affect the 3 N contribution to the (d ,p ) cross sections. Finite-range studies require new formal developments and, therefore, their contribution is preliminarily assessed within the plane-wave Born approximation, together with sensitivity to the choice of the deuteron model.

Coherent Magnetic Response at Optical Frequencies Using Atomic Transitions

NASA Astrophysics Data System (ADS)

Brewer, Nicholas R.; Buckholtz, Zachary N.; Simmons, Zachary J.; Mueller, Eli A.; Yavuz, Deniz D.

2017-01-01

In optics, the interaction of atoms with the magnetic field of light is almost always ignored since its strength is many orders of magnitude weaker compared to the interaction with the electric field. In this article, by using a magnetic-dipole transition within the 4 f shell of europium ions, we show a strong interaction between a green laser and an ensemble of atomic ions. The electrons move coherently between the ground and excited ionic levels (Rabi flopping) by interacting with the magnetic field of the laser. By measuring the Rabi flopping frequency as the laser intensity is varied, we report the first direct measurement of a magnetic-dipole matrix element in the optical region of the spectrum. Using density-matrix simulations of the ensemble, we infer the generation of coherent magnetization with magnitude 5.5 ×10-3 A /m , which is capable of generating left-handed electromagnetic waves of intensity 1 nW /cm2 . These results open up the prospect of constructing left-handed materials using sharp transitions of atoms.

The nuclear matrix prepared by amine modification

PubMed Central

Wan, Katherine M.; Nickerson, Jeffrey A.; Krockmalnic, Gabriela; Penman, Sheldon

1999-01-01

The nucleus is spatially ordered by attachments to a nonchromatin nuclear structure, the nuclear matrix. The nuclear matrix and chromatin are intimately connected and integrated structures, and so a major technical challenge in nuclear matrix research has been to remove chromatin while retaining a native nuclear matrix. Most methods for removing chromatin require first a nuclease digestion and then a salt extraction to remove cut chromatin. We have hypothesized that cut chromatin is held in place by charge interactions involving nucleosomal amino groups. We have tested this hypothesis by chemically modifying amino groups after nuclease digestion. By using this protocol, chromatin could be effectively removed at physiological ionic strength. We compared the ultrastructure and composition of this nuclear matrix preparation with the traditional high-salt nuclear matrix and with the third nuclear matrix preparation that we have developed from which chromatin is removed after extensive crosslinking. All three matrix preparations reveal internal nuclear matrix structures that are built on a network of branched filaments of about 10 nm diameter. That such different chromatin-removal protocols reveal similar principles of nuclear matrix construction increases our confidence that we are observing important architectural elements of the native structure in the living cell. PMID:9927671

Ward Identity and Scattering Amplitudes for Nonlinear Sigma Models

NASA Astrophysics Data System (ADS)

Low, Ian; Yin, Zhewei

2018-02-01

We present a Ward identity for nonlinear sigma models using generalized nonlinear shift symmetries, without introducing current algebra or coset space. The Ward identity constrains correlation functions of the sigma model such that the Adler's zero is guaranteed for S -matrix elements, and gives rise to a subleading single soft theorem that is valid at the quantum level and to all orders in the Goldstone decay constant. For tree amplitudes, the Ward identity leads to a novel Berends-Giele recursion relation as well as an explicit form of the subleading single soft factor. Furthermore, interactions of the cubic biadjoint scalar theory associated with the single soft limit, which was previously discovered using the Cachazo-He-Yuan representation of tree amplitudes, can be seen to emerge from matrix elements of conserved currents corresponding to the generalized shift symmetry.

Placing three-dimensional isoparametric elements into NASTRAN. [alterations in matrix assembly to simplify generation of higher order elements

NASA Technical Reports Server (NTRS)

Newman, M. B.; Filstrup, A. W.

1973-01-01

Linear (8 node), parabolic (20 node), cubic (32 node) and mixed (some edges linear, some parabolic and some cubic) have been inserted into NASTRAN, level 15.1. First the dummy element feature was used to check out the stiffness matrix generation routines for the linear element in NASTRAN. Then, the necessary modules of NASTRAN were modified to include the new family of elements. The matrix assembly was changed so that the stiffness matrix of each isoparametric element is only generated once as the time to generate these higher order elements tends to be much longer than the other elements in NASTRAN. This paper presents some of the experiences and difficulties of inserting a new element or family of elements into NASTRAN.

Effect of stress evolution on microstructural behavior in U-Mo/Al dispersion fuel [Effect of stress on microstructural evolution in U-Mo/Al dispersion fuel

DOE PAGES

Jeong, G. Y.; Kim, Yeon Soo; Jamison, L. M.; ...

2017-02-20

U-Mo/Al dispersion fuel irradiated to high burnup at high power (high fission rate) exhibited microstructural changes such as deformation of the fuel particles, pore growth, and rupture of the Al matrix. The driving force for these microstructural changes was meat swelling caused by a combination of fuel particle swelling and interaction layer growth. Five miniplates with well-recorded fabrication data and irradiation conditions were selected, and their PIE data was analyzed. ABAQUS finite element analysis (FEA) was utilized to simulate the microstructural evolution of the plates. Using the simulation results shear stress, effective stress and hydrostatic stress exerted on both themore » fuel particles and the Al matrix were determined. The effects of fabrication and irradiation variables on stress-induced microstructural evolutions, such as pore growth in the interaction layers and Al matrix rupture, were investigated. The observed microstructural changes were consistent with the calculated stress distribution in the meat.« less

Effect of stress evolution on microstructural behavior in U-Mo/Al dispersion fuel [Effect of stress on microstructural evolution in U-Mo/Al dispersion fuel

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

Jeong, G. Y.; Kim, Yeon Soo; Jamison, L. M.

U-Mo/Al dispersion fuel irradiated to high burnup at high power (high fission rate) exhibited microstructural changes such as deformation of the fuel particles, pore growth, and rupture of the Al matrix. The driving force for these microstructural changes was meat swelling caused by a combination of fuel particle swelling and interaction layer growth. Five miniplates with well-recorded fabrication data and irradiation conditions were selected, and their PIE data was analyzed. ABAQUS finite element analysis (FEA) was utilized to simulate the microstructural evolution of the plates. Using the simulation results shear stress, effective stress and hydrostatic stress exerted on both themore » fuel particles and the Al matrix were determined. The effects of fabrication and irradiation variables on stress-induced microstructural evolutions, such as pore growth in the interaction layers and Al matrix rupture, were investigated. The observed microstructural changes were consistent with the calculated stress distribution in the meat.« less

Interacting quasi-band model for electronic states in compound semiconductor alloys: Zincblende structure

NASA Astrophysics Data System (ADS)

Shinozuka, Yuzo; Oda, Masato

2015-09-01

The interacting quasi-band model proposed for electronic states in simple alloys is extended for compound semiconductor alloys with general lattice structures containing several atoms per unit cell. Using a tight-binding model, a variational electronic wave function for quasi-Bloch states yields a non-Hermitian Hamiltonian matrix characterized by matrix elements of constituent crystals and concentration of constituents. Solving secular equations for each k-state yields the alloy’s energy spectrum for any type of randomness and arbitrary concentration. The theory is used to address III-V (II-VI) alloys with a zincblende lattice with crystal band structures well represented by the sp3s* model. Using the resulting 15 × 15 matrix, the concentration dependence of valence and conduction bands is calculated in a unified scheme for typical alloys: Al1-xGaxAs, GaAs1-xPx, and GaSb1-xPx. Results agree well with experiments and are discussed with respect to the concentration dependence, direct-indirect gap transition, and band-gap-bowing origin.

Matrix multiplication operations with data pre-conditioning in a high performance computing architecture

DOEpatents

Eichenberger, Alexandre E; Gschwind, Michael K; Gunnels, John A

2013-11-05

Mechanisms for performing matrix multiplication operations with data pre-conditioning in a high performance computing architecture are provided. A vector load operation is performed to load a first vector operand of the matrix multiplication operation to a first target vector register. A load and splat operation is performed to load an element of a second vector operand and replicating the element to each of a plurality of elements of a second target vector register. A multiply add operation is performed on elements of the first target vector register and elements of the second target vector register to generate a partial product of the matrix multiplication operation. The partial product of the matrix multiplication operation is accumulated with other partial products of the matrix multiplication operation.

Coupled thermomechanical behavior of graphene using the spring-based finite element approach

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

Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr; Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr

The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations aremore » analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.« less

Absolutely and uniformly convergent iterative approach to inverse scattering with an infinite radius of convergence

DOEpatents

Kouri, Donald J [Houston, TX; Vijay, Amrendra [Houston, TX; Zhang, Haiyan [Houston, TX; Zhang, Jingfeng [Houston, TX; Hoffman, David K [Ames, IA

2007-05-01

A method and system for solving the inverse acoustic scattering problem using an iterative approach with consideration of half-off-shell transition matrix elements (near-field) information, where the Volterra inverse series correctly predicts the first two moments of the interaction, while the Fredholm inverse series is correct only for the first moment and that the Volterra approach provides a method for exactly obtaining interactions which can be written as a sum of delta functions.

Towards a global model of spin-orbit coupling in the halocarbenes

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

Nyambo, Silver; Karshenas, Cyrus; Reid, Scott A., E-mail: scott.reid@marquette.edu, E-mail: dawesr@mst.edu

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written inmore » terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.« less

Low-frequency approximation for high-order harmonic generation by a bicircular laser field

NASA Astrophysics Data System (ADS)

Milošević, D. B.

2018-01-01

We present low-frequency approximation (LFA) for high-order harmonic generation (HHG) process. LFA represents the lowest-order term of an expansion of the final-state interaction matrix element in powers of the laser-field frequency ω . In this approximation the plane-wave recombination matrix element which appears in the strong-field approximation is replaced by the exact laser-free recombination matrix element calculated for the laser-field dressed electron momenta. First, we have shown that the HHG spectra obtained using the LFA agree with those obtained solving the time-dependent Schrödinger equation. Next, we have applied this LFA to calculate the HHG rate for inert gases exposed to a bicircular field. The bicircular field, which consists of two coplanar counter-rotating fields having different frequencies (usually ω and 2 ω ), is presently an important subject of scientific research since it enables efficient generation of circularly polarized high-order harmonics (coherent soft x rays). Analyzing the photorecombination matrix element we have found that the HHG rate can efficiently be calculated using the angular momentum basis with the states oriented in the direction of the bicircular field components. Our numerical results show that the HHG rate for atoms having p ground state, for higher high-order harmonic energies, is larger for circularly polarized harmonics having the helicity -1 . For lower energies the harmonics having helicity +1 prevails. The transition between these two harmonic energy regions can appear near the Cooper minimum, which, in the case of Ar atoms, makes the selection of high-order harmonics having the same helicity much easier. This is important for applications (for example, for generation of attosecond pulse trains of circularly polarized harmonics).

Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j').

PubMed

Weeks, David E; Niday, Thomas A; Yang, Sang H

2006-10-28

Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j') are calculated using the time dependent channel packet method (CPM). The calculation employs 1 2A', 2 2A', and 1 2A" adiabatic electronic potential energy surfaces determined by numerical computation at the multireference configuration-interaction level [M. H. Alexander, J. Chem. Phys. 99, 6041 (1993)]. The 1 2A' and 2 2A', adiabatic electronic potential energy surfaces are transformed to yield diabatic electronic potential energy surfaces that, when combined with the total B+H2 rotational kinetic energy, yield a set of effective potential energy surfaces [M. H. Alexander et al., J. Chem. Phys. 103, 7956 (1995)]. Within the framework of the CPM, the number of effective potential energy surfaces used for the scattering matrix calculation is then determined by the size of the angular momentum basis used as a representation. Twenty basis vectors are employed for these calculations, and the corresponding effective potential energy surfaces are identified in the asymptotic limit by the H2 rotor quantum numbers j=0, 2, 4, 6 and B electronic states 2Pja, ja=1/2, 3/2. Scattering matrix elements are obtained from the Fourier transform of the correlation function between channel packets evolving in time on these effective potential energy surfaces. For these calculations the H2 bond length is constrained to a constant value of req=1.402 a.u. and state to state scattering matrix elements corresponding to a total angular momentum of J=1/2 are discussed for j=0<-->j'=0,2,4 and 2P1/2<-->2P1/2, 2P3/2 over a range of total energy between 0.0 and 0.01 a.u.

Matrix management for aerospace 2000

NASA Technical Reports Server (NTRS)

Mccarthy, J. F., Jr.

1980-01-01

The martix management approach to program management is an organized effort for attaining program objectives by defining and structuring all elements so as to form a single system whose parts are united by interaction. The objective of the systems approach is uncompromisingly complete coverage of the program management endeavor. Starting with an analysis of the functions necessary to carry out a given program, a model must be defined; a matrix of responsibility assignment must be prepared; and each operational process must be examined to establish how it is to be carried out and how it relates to all other processes.

Study of the lithology, petrology and rock chemistry for the Pyramid Mountains, New Mexico

NASA Technical Reports Server (NTRS)

Grant, S. K.

1985-01-01

Rock and soil samples were collected at 24 sites within the Pyramid Mountains of southwestern New Mexico. The site locations are specified as 10-acre plots within the Section, Township, and Range land survey system. Hand specimen are described. The specimen were analyzed by X-ray fluorescence. The technique is designed to obtain good analysis for silica. The other elements are run so that matrix factor logic can be used to adjust the silica intensities, and to compensate for the element interaction.

Addressable test matrix for measuring analog transfer characteristics of test elements used for integrated process control and device evaluation

NASA Technical Reports Server (NTRS)

Buehler, Martin G. (Inventor)

1988-01-01

A set of addressable test structures, each of which uses addressing schemes to access individual elements of the structure in a matrix, is used to test the quality of a wafer before integrated circuits produced thereon are diced, packaged and subjected to final testing. The electrical characteristic of each element is checked and compared to the electrical characteristic of all other like elements in the matrix. The effectiveness of the addressable test matrix is in readily analyzing the electrical characteristics of the test elements and in providing diagnostic information.

Radial sets: interactive visual analysis of large overlapping sets.

PubMed

Alsallakh, Bilal; Aigner, Wolfgang; Miksch, Silvia; Hauser, Helwig

2013-12-01

In many applications, data tables contain multi-valued attributes that often store the memberships of the table entities to multiple sets such as which languages a person masters, which skills an applicant documents, or which features a product comes with. With a growing number of entities, the resulting element-set membership matrix becomes very rich of information about how these sets overlap. Many analysis tasks targeted at set-typed data are concerned with these overlaps as salient features of such data. This paper presents Radial Sets, a novel visual technique to analyze set memberships for a large number of elements. Our technique uses frequency-based representations to enable quickly finding and analyzing different kinds of overlaps between the sets, and relating these overlaps to other attributes of the table entities. Furthermore, it enables various interactions to select elements of interest, find out if they are over-represented in specific sets or overlaps, and if they exhibit a different distribution for a specific attribute compared to the rest of the elements. These interactions allow formulating highly-expressive visual queries on the elements in terms of their set memberships and attribute values. As we demonstrate via two usage scenarios, Radial Sets enable revealing and analyzing a multitude of overlapping patterns between large sets, beyond the limits of state-of-the-art techniques.

Carcinogenesis: alterations in reciprocal interactions of normal functional structure of biologic systems.

PubMed

Davydyan, Garri

2015-12-01

The evolution of biologic systems (BS) includes functional mechanisms that in some conditions may lead to the development of cancer. Using mathematical group theory and matrix analysis, previously, it was shown that normally functioning BS are steady functional structures regulated by three basis regulatory components: reciprocal links (RL), negative feedback (NFB) and positive feedback (PFB). Together, they form an integrative unit maintaining system's autonomy and functional stability. It is proposed that phylogenetic development of different species is implemented by the splitting of "rudimentary" characters into two relatively independent functional parts that become encoded in chromosomes. The functional correlate of splitting mechanisms is RL. Inversion of phylogenetic mechanisms during ontogenetic development leads cell differentiation until cells reach mature states. Deterioration of reciprocal structure in the genome during ontogenesis gives rise of pathological conditions characterized by unsteadiness of the system. Uncontrollable cell proliferation and invasive cell growth are the leading features of the functional outcomes of malfunctioning systems. The regulatory element responsible for these changes is RL. In matrix language, pathological regulation is represented by matrices having positive values of diagonal elements ( TrA  > 0) and also positive values of matrix determinant ( detA  > 0). Regulatory structures of that kind can be obtained if the negative entry of the matrix corresponding to RL is replaced with the positive one. To describe not only normal but also pathological states of BS, a unit matrix should be added to the basis matrices representing RL, NFB and PFB. A mathematical structure corresponding to the set of these four basis functional patterns (matrices) is a split quaternion (coquaternion). The structure and specific role of basis elements comprising four-dimensional linear space of split quaternions help to understand what changes in mechanism of cell differentiation may lead to cancer development.

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

NASA Astrophysics Data System (ADS)

Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus

2017-10-01

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.

On the stability of the electronic system in transition metal dichalcogenides.

PubMed

Faraggi, M N; Zubizarreta, X; Arnau, A; Silkin, V M

2016-05-11

Based on first-principles calculations, we prove that the origin of charge-density wave formation in metallic layered transition metal dichalcogenides (TMDC) is not due to an electronic effect, like the Fermi surface (FS) nesting, as it had been proposed. In particular, we consider NbSe2, NbS2, TaSe2, and TaS2 as representative examples of 2H-TMDC polytypes. Our main result consists that explicit inclusion of the matrix elements in first-principles calculations of the electron susceptibility [Formula: see text] removes, due to strong momentum dependence of the matrix elements, almost all the information about the FS topologies in the resulting [Formula: see text]. This finding strongly supports an interpretation in which the momentum dependence of the electron-phonon interaction is the only reason why the phenomenon of charge-density waves appears in this class of materials.

Low-temperature anomalies in the dynamic elastic moduli of cubic AIIBVI crystals with 3d-transition metal impurities

NASA Astrophysics Data System (ADS)

Lonchakov, A. T.

2011-04-01

A negative paramagnetic contribution to the dynamic elastic moduli is identified in AIIBVI:3d wide band-gap compounds for the first time. It appears as a paramagnetic elastic, or, briefly, paraelastic, susceptibility. These compounds are found to have a linear temperature dependence for the inverse paraelastic susceptibility. This is explained by a contribution from the diagonal matrix elements of the orbit-lattice interaction operators in the energy of the spin-orbital states of the 3d-ion as a function of applied stress (by analogy with the Curie contribution to the magnetic susceptibility). The inverse paraelastic susceptibility of AIIBVI crystals containing non-Kramers 3d-ions is found to deviate from linearity with decreasing temperature and reaches saturation. This effect is explained by a contribution from nondiagonal matrix elements (analogous to the well known van Vleck contribution to the magnetic susceptibility of paramagnets).

Superradiant effects on pulse propagation in resonant media. [atomic excitations/coherent radiation - operators (mathematics)/matrices (mathematics)

NASA Technical Reports Server (NTRS)

Lee, C.

1975-01-01

Adopting the so-called genealogical construction, the eigenstates of collective operators can be expressed corresponding to a specified mode for an N-atom system in terms of those for an (N-1)-atom system. Matrix element of a collective operator of an arbitrary mode is presented which can be written as the product of an m-dependent factor and an m-independent reduced matrix element (RME). A set of recursion formulas for the RME was obtained. A graphical representation of the RME on the branching diagram for binary irreducible representations of permutation groups was then introduced. This gave a simple and systematic way of calculating the RME. Results show explicitly the geometry dependence of superradiance and the relative importance of r-conserving and r-nonconserving processes and clears up the chief difficulty encounted in the problem of N two-level atoms, spread over large regions, interacting with a multimode radiation field.

Transfer-Matrix Method for Solving the Spin 1/2 Antiferromagnetic Heisenberg Chain

NASA Astrophysics Data System (ADS)

Garcia-Bach, M. A.; Klein, D. J.; Valenti, R.

Following the discovery of high Tc superconductivity in the copper oxides, there has been a great deal of interest in the RVB wave function proposed by Anderson [1]. As a warm-up exercise we have considered a valence-bond wave function for the one dimensional spin-1/2 Heisenberg chain. The main virtue of our work is to propose a new variational singlet wavefunction which is almost analytically tractable by a transfer-matrix technique. We have obtained the ground state energy for finite as well as infinite chains, in good agreement with exact results. Correlation functions, excited states, and the effects of other interactions (e.g., spin-Peierls) are also accessible within this scheme [2]. Since the ground state of the chain is known to be a singlet (Lieb & Mattis [3]), we write the appropriate wave function as a superposition of valence-bond singlets, |ψ > =∑ limits k C k | k>, where |k> is a spin configuration obtained by pairing all spins into singlet pairs, in a way which is common in valence-bond calculations of large molecules. As in that case, each configuration, |k>, can be represented by a Rümer diagram, with directed bonds connecting each pair of spins on the chain. The ck's are variational co-efficients, the form of which is determined as follows: Each singlet configuration (Rümer diagram) is divided into "zones", a "zone" corresponding to the region between two consecutive sites. Each zone is indexed by its distance from the end of the chain and by the number of bonds crossing it. Our procedure assigns a variational parameter, xij, to the jth zone, when crossed by i bonds. The resulting wavefunction for an N-site chain is written as |ψ > =∑ limits k ∏ M limits { i =1} ∏ { N -1}limits { j =1} X ij{ m ij (k)} | k> where mij(k) equals 1 when zone j is crossed by i bonds and zero otherwise. To make the calculation tractable we reduce the number of variational parameters by disallowing configurations with bonds connecting any two sites separated by more than 2M lattice points. (For simplicity, we have limited ourselves to M=3, but the scheme can be used for any M). With the simple ansatz, matrix elements can be calculated by a transfer-matrix method. To understand the transfer-matrix method note that since only local zone parameters appear in the description of each state |k>, matrix elements and overlaps, < k| bar S q bar S{ q +1} |k'> and , are completely specified by a small number of "local states" associated with each zone. Within a given zone a local state is defined by (i) the number of bonds crossing the zone and (ii), by whether the bonds originate from the initial (|k>) or final (|k'>) state. It is then easy to see that "local states" of consecutive zones are connected by a 15 × 15 transfer matrix (for the case M=3). Furthermore, the overlap matrix element can be written as a product of transfer-matrices associated with each zone of the chain. When calculating matrix elements of the Hamiltonian, an additional matrix, U, must be defined, to represent the particular zone involving the two spins connected by the Heisenberg interaction. The relevant details as well as the comparison with exact results will be given elsewhere. We are planning to ultimately apply this method to the two dimensional case, and hope to include the effects of holes.

A dual-ion imprinted polymer embedded in sol-gel matrix for the ultra trace simultaneous analysis of cadmium and copper.

PubMed

Bali Prasad, Bhim; Jauhari, Darshika; Verma, Archana

2014-03-01

In simultaneous determination of group of elements, there are inter-metallic interactions which result in a non-linear relationship between the peak current and ionic concentration for each of the element, at bare (unmodified) electrode. To resolve this problem, we have resorted, for the first time, to develop a modified pencil graphite electrode using a typical ion imprinted polymer network (dual-ion imprinted polymer embedded in sol-gel matrix (inorganic-organic hybrid nano-material)) for the simultaneous analysis of a binary mixture of Cd(II) and Cu(II) ions, without any complication of inter-metallic interactions and competitive bindings, in real samples. The adequate resolution of differential pulse anodic stripping voltammetry peaks by 725 mV (cf, 615 mV with unmodified electrode), without any cross-reactivity and the stringent detection limits as low as, 0.050 and 0.034 ng mL(-1) (S/N=3) for Cd(II) and Cu(II) ions, respectively by the proposed sensor can be considered useful for the primitive diagnosis of several chronic diseases in clinical settings. Copyright © 2013 Elsevier B.V. All rights reserved.

Symmetry properties of the configuration interaction space in relation to one- and two-particle operators: The splitting theorem

NASA Astrophysics Data System (ADS)

Živković, Tomislav P.

1984-09-01

The configuration interaction (CI) space Xn built upon n electrons moving over 2n orthonormalized orbitals χi is considered. It is shown that the space Xn splits into two complementary subspaces X+n and X-n having special properties: each state Ψ+∈X+n and Ψ-∈X-n is ``alternantlike'' in the sense that it has a uniform charge density distribution over all orbitals χi and vanishing bond-orders between all orbitals of the same parity. In addition, matrix elements Γ(ij;kl) of a two-particle density matrix vanish whenever four distinct orbitals are involved and there is an odd number of orbitals of the same parity. Further, Γ(ij;lj)=γ(il)/4 ( j≠i,l), whenever (i) and (l) are of different parity. This last relation shows the connection between a two-particle (Γ) and a one-particle (γ) density matrix. ``Elementary'' alternant and antialternant operators are identified. These operators connect either only the states in the same subspace, or only the states in different subspaces, and each one- and two-particle symmetric operator can be represented by their linear combination. Alternant Hamiltonians, which can be represented as linear combinations of elementary alternant operators, have alternantlike eigenstates. It is also shown that each symmetric Hamiltonian possessing alternantlike eigenstates can be represented as such a linear combination. In particular, the PPP Hamiltonian describing an alternant hydrocarbon system is such a case. Complementary subspaces X+n and X-n can be explicitly constructed using the so-called regular resonance structures (RRS's) which are normalized determinants containing mutually disjunct bond orbitals. Expressions for the derivation of matrix elements of one- and two-particle operators between different RRS's are also derived.

Combined fast multipole-QR compression technique for solving electrically small to large structures for broadband applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram (Inventor); Chowdhury, Indranil (Inventor)

2011-01-01

An approach that efficiently solves for a desired parameter of a system or device that can include both electrically large fast multipole method (FMM) elements, and electrically small QR elements. The system or device is setup as an oct-tree structure that can include regions of both the FMM type and the QR type. An iterative solver is then used to determine a first matrix vector product for any electrically large elements, and a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large elements and the electrically small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter.

Precision measurement of transition matrix elements via light shift cancellation.

PubMed

Herold, C D; Vaidya, V D; Li, X; Rolston, S L; Porto, J V; Safronova, M S

2012-12-14

We present a method for accurate determination of atomic transition matrix elements at the 10(-3) level. Measurements of the ac Stark (light) shift around "magic-zero" wavelengths, where the light shift vanishes, provide precise constraints on the matrix elements. We make the first measurement of the 5s - 6p matrix elements in rubidium by measuring the light shift around the 421 and 423 nm zeros through diffraction of a condensate off a sequence of standing wave pulses. In conjunction with existing theoretical and experimental data, we find 0.3235(9)ea(0) and 0.5230(8)ea(0) for the 5s - 6p(1/2) and 5s - 6p(3/2) elements, respectively, an order of magnitude more accurate than the best theoretical values. This technique can provide needed, accurate matrix elements for many atoms, including those used in atomic clocks, tests of fundamental symmetries, and quantum information.

A Fast MoM Solver (GIFFT) for Large Arrays of Microstrip and Cavity-Backed Antennas

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

Fasenfest, B J; Capolino, F; Wilton, D

2005-02-02

A straightforward numerical analysis of large arrays of arbitrary contour (and possibly missing elements) requires large memory storage and long computation times. Several techniques are currently under development to reduce this cost. One such technique is the GIFFT (Green's function interpolation and FFT) method discussed here that belongs to the class of fast solvers for large structures. This method uses a modification of the standard AIM approach [1] that takes into account the reusability properties of matrices that arise from identical array elements. If the array consists of planar conducting bodies, the array elements are meshed using standard subdomain basismore » functions, such as the RWG basis. The Green's function is then projected onto a sparse regular grid of separable interpolating polynomials. This grid can then be used in a 2D or 3D FFT to accelerate the matrix-vector product used in an iterative solver [2]. The method has been proven to greatly reduce solve time by speeding up the matrix-vector product computation. The GIFFT approach also reduces fill time and memory requirements, since only the near element interactions need to be calculated exactly. The present work extends GIFFT to layered material Green's functions and multiregion interactions via slots in ground planes. In addition, a preconditioner is implemented to greatly reduce the number of iterations required for a solution. The general scheme of the GIFFT method is reported in [2]; this contribution is limited to presenting new results for array antennas made of slot-excited patches and cavity-backed patch antennas.« less

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

Dense fibrillar collagen is a potent inducer of invadopodia via a specific signaling network

PubMed Central

Swatkoski, Stephen; Matsumoto, Kazue; Campbell, Catherine B.; Petrie, Ryan J.; Dimitriadis, Emilios K.; Li, Xin; Mueller, Susette C.; Bugge, Thomas H.; Gucek, Marjan

2015-01-01

Cell interactions with the extracellular matrix (ECM) can regulate multiple cellular activities and the matrix itself in dynamic, bidirectional processes. One such process is local proteolytic modification of the ECM. Invadopodia of tumor cells are actin-rich proteolytic protrusions that locally degrade matrix molecules and mediate invasion. We report that a novel high-density fibrillar collagen (HDFC) matrix is a potent inducer of invadopodia, both in carcinoma cell lines and in primary human fibroblasts. In carcinoma cells, HDFC matrix induced formation of invadopodia via a specific integrin signaling pathway that did not require growth factors or even altered gene and protein expression. In contrast, phosphoproteomics identified major changes in a complex phosphosignaling network with kindlin2 serine phosphorylation as a key regulatory element. This kindlin2-dependent signal transduction network was required for efficient induction of invadopodia on dense fibrillar collagen and for local degradation of collagen. This novel phosphosignaling mechanism regulates cell surface invadopodia via kindlin2 for local proteolytic remodeling of the ECM. PMID:25646088

A finite element formulation preserving symmetric and banded diffusion stiffness matrix characteristics for fractional differential equations

NASA Astrophysics Data System (ADS)

Lin, Zeng; Wang, Dongdong

2017-10-01

Due to the nonlocal property of the fractional derivative, the finite element analysis of fractional diffusion equation often leads to a dense and non-symmetric stiffness matrix, in contrast to the conventional finite element formulation with a particularly desirable symmetric and banded stiffness matrix structure for the typical diffusion equation. This work first proposes a finite element formulation that preserves the symmetry and banded stiffness matrix characteristics for the fractional diffusion equation. The key point of the proposed formulation is the symmetric weak form construction through introducing a fractional weight function. It turns out that the stiffness part of the present formulation is identical to its counterpart of the finite element method for the conventional diffusion equation and thus the stiffness matrix formulation becomes trivial. Meanwhile, the fractional derivative effect in the discrete formulation is completely transferred to the force vector, which is obviously much easier and efficient to compute than the dense fractional derivative stiffness matrix. Subsequently, it is further shown that for the general fractional advection-diffusion-reaction equation, the symmetric and banded structure can also be maintained for the diffusion stiffness matrix, although the total stiffness matrix is not symmetric in this case. More importantly, it is demonstrated that under certain conditions this symmetric diffusion stiffness matrix formulation is capable of producing very favorable numerical solutions in comparison with the conventional non-symmetric diffusion stiffness matrix finite element formulation. The effectiveness of the proposed methodology is illustrated through a series of numerical examples.

High Temperature Fuel Cladding Chemical Interactions Between TRIGA Fuels and 304 Stainless Steel

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

Perez, Emmanuel; Keiser, Jr., Dennis D.; Forsmann, Bryan

High-temperature fuel-cladding chemical interactions (FCCI) between TRIGA (Training, Research, Isotopes, General Atomics) fuel elements and the 304 stainless steel (304SS) are of interest to develop an understanding of the fuel behavior during transient reactor scenarios. TRIGA fuels are composed of uranium (U) particles dispersed in a zirconium-hydride (Zr-H) matrix. In reactor, the fuel is encased in 304-stainless-steel (304SS) or Incoloy 800 clad tubes. At high temperatures, the fuel can readily interact with the cladding, resulting in FCCI. A number of FCCI can take place in this system. Interactions can be expected between the cladding and the Zr-H matrix, and/or betweenmore » the cladding and the U-particles. Other interactions may be expected between the Zr-H matrix and the U-particles. Furthermore, the fuel contains erbium-oxide (Er-O) additions. Interactions can also be expected between the Er-O, the cladding, the Zr-H and the U-particles. The overall result is that very complex interactions may take place as a result of fuel and cladding exposures to high temperatures. This report discusses the characterization of the baseline fuel microstructure in the as-received state (prior to exposure to high temperature), characterization of the fuel after annealing at 950C for 24 hours and the results from diffusion couple experiments carries out at 1000C for 5 and 24 hours. Characterization was carried out via scanning electron microscopy (SEM) and transmission electron microscopy (TEM) with sample preparation via focused ion beam in situ-liftout-technique.« less

Comparison of Measured and Simulated Albedo Signals in the ATIC Experiment

NASA Technical Reports Server (NTRS)

Zatsepin, V. I.; Adams, J. H.; Ahn, H. S.; Bashindzhagyan, G. L.; Batkov, K. E.; Chang, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunasingha, R. M.

2003-01-01

Albedo, radiation backscattered from an interaction and from the subsequent shower development, provides a 'background' for calorimeter experiments. In ATIC (Advanced Thin Ionization Calorimeter), a balloon borne instrument to measure cosmic ray composition and energy spectra for elements from hydrogen to iron from 30 GeV to near 100 TeV, a fully active BGO calorimeter follows a carbon interaction target and scintillator holdoscopes. The first detector is a silicon matrix constructed of 4480 individual silicon pixels, each 2 cm x 1.5 cm, that provide a measurement of the charge of the primary particle in the presence of albedo. ATIC had two successful balloon flights in Antarctica: from 28 Dec 2000 to 13 Jan 2001 (ATIC-1) and from 29 Dec 2002 to 18 Jan 2003 (ATIC-2). A comparison of albedo signals in the silicon matri:x in ATIC-1 experiment with simulations performed using the GEANT 3.21 code and the QGSM event generator for nucleus-nucleus interactions is presented.

Workshop on Pion-Kaon Interactions (PKI2018) Mini-Proceedings

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

Amaryan, M; Pal, Bilas

This volume is a short summary of talks given at the PKI2018 Workshop organized to discuss current status and future prospects of pi -K interactions. The precise data on pi K interaction will have a strong impact on strange meson spectroscopy and form factors that are important ingredients in the Dalitz plot analysis of a decays of heavy mesons as well as precision measurement of Vus matrix element and therefore on a test of unitarity in the first raw of the CKM matrix. The workshop has combined the efforts of experimentalists, Lattice QCD, and phenomenology communities. Experimental data relevant tomore » the topic of the workshop were presented from the broad range of different collaborations like CLAS, GlueX, COMPASS, BaBar, BELLE, BESIII, VEPP-2000, and LHCb. One of the main goals of this workshop was to outline a need for a new high intensity and high precision secondary KL beam facility at JLab produced with the 12 GeV electron beam of CEBAF accelerator.« less

Methodologies for validating ray-based forward model using finite element method in ultrasonic array data simulation

NASA Astrophysics Data System (ADS)

Zhang, Jie; Nixon, Andrew; Barber, Tom; Budyn, Nicolas; Bevan, Rhodri; Croxford, Anthony; Wilcox, Paul

2018-04-01

In this paper, a methodology of using finite element (FE) model to validate a ray-based model in the simulation of full matrix capture (FMC) ultrasonic array data set is proposed. The overall aim is to separate signal contributions from different interactions in FE results for easier comparing each individual component in the ray-based model results. This is achieved by combining the results from multiple FE models of the system of interest that include progressively more geometrical features while preserving the same mesh structure. It is shown that the proposed techniques allow the interactions from a large number of different ray-paths to be isolated in FE results and compared directly to the results from a ray-based forward model.

On thermalization of electron-positron-photon plasma

NASA Astrophysics Data System (ADS)

Siutsou, I. A.; Aksenov, A. G.; Vereshchagin, G. V.

2015-12-01

Recently a progress has been made in understanding thermalization mechanism of relativistic plasma starting from a non-equilibrium state. Relativistic Boltzmann equations were solved numerically for homogeneous isotropic plasma with collision integrals for two- and three-particle interactions calculated from the first principles by means of QED matrix elements. All particles were assumed to fulfill Boltzmann statistics. In this work we follow plasma thermalization by accounting for Bose enhancement and Pauli blocking in particle interactions. Our results show that particle in equilibrium reach Bose-Einstein distribution for photons, and Fermi-Dirac one for electrons, respectively.

Analysis of whisker-toughened CMC structural components using an interactive reliability model

NASA Technical Reports Server (NTRS)

Duffy, Stephen F.; Palko, Joseph L.

1992-01-01

Realizing wider utilization of ceramic matrix composites (CMC) requires the development of advanced structural analysis technologies. This article focuses on the use of interactive reliability models to predict component probability of failure. The deterministic William-Warnke failure criterion serves as theoretical basis for the reliability model presented here. The model has been implemented into a test-bed software program. This computer program has been coupled to a general-purpose finite element program. A simple structural problem is presented to illustrate the reliability model and the computer algorithm.

Volkov basis for simulation of interaction of strong laser pulses and solids

NASA Astrophysics Data System (ADS)

Kidd, Daniel; Covington, Cody; Li, Yonghui; Varga, Kálmán

2018-01-01

An efficient and accurate basis comprised of Volkov states is implemented and tested for time-dependent simulations of interactions between strong laser pulses and crystalline solids. The Volkov states are eigenstates of the free electron Hamiltonian in an electromagnetic field and analytically represent the rapidly oscillating time-dependence of the orbitals, allowing significantly faster time propagation than conventional approaches. The Volkov approach can be readily implemented in plane-wave codes by multiplying the potential energy matrix elements with a simple time-dependent phase factor.

The FEM-R-Matrix Approach: Use of Mixed Finite Element and Gaussian Basis Sets for Electron Molecule Collisions

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

For the calculation of electron molecule collision cross sections R-matrix methods automatically take advantage of the division of configuration space into an inner region (I) bounded by radius tau b, where the scattered electron is within the molecular charge cloud and the system is described by an correlated Configuration Interaction (CI) treatment in close analogy to bound state calculations, and an outer region (II) where the scattered electron moves in the long-range multipole potential of the target and efficient analytic methods can be used for solving the asymptotic Schroedinger equation plus boundary conditions.

Synthesis and characterization of new nanocomposites films using alanine-Cu-functionalized graphene oxide as nanofiller and PVA as polymeric matrix for improving of their properties

NASA Astrophysics Data System (ADS)

Abdolmaleki, Amir; Mallakpour, Shadpour; Karshenas, Azam

2017-09-01

In the synthesis of polymer-graphene nanocomposites, for improving properties of nanocomposites, two factors dispersion and strong interfacial interactions between graphene and the polymer, are essential. In the present work, poly(vinyl alcohol) PVA/GO-Cu-alanine nanocomposite films were manufactured using concentrations 0, 1, 3 and 5 wt% of GO-Cu-alanine in water solution. For this purpose, L-alanine amino acid was located on the surface and edges of GO through copper(II) ion as a coordinating function. Then, flexible PVA/GO-Cu-alanine nanocomposite films were fabricated using GO-Cu-alanine as filler and PVA as matrix. Due to the existence of affective interaction between GO-Cu-alanine and PVA matrix, the acquired PVA/GO-Cu-alanine nanocomposites demonstrated great thermal and mechanical properties. Properties of manufactured materials were characterized by Fourier transform infrared, X-ray photoelectron spectroscopies (XPS), X-ray diffraction (XRD), Thermal gravimetric analysis, elemental analysis, field emission scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX).

Elemental Spectra from the First ATIC Flight

NASA Technical Reports Server (NTRS)

Ahn, H. S.; Adams, J. H.; Bashindzhagyan, G.; Batkov, K. E.; Changv, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunasingha, R. M.; Guzik, T. G.

2005-01-01

The Advanced Thin Ionization Calorimeter (ATIC) instrument is a balloon-borne experiment designed to measure the composition and energy spectra of Z = l to 26 cosmic rays over the energy range from approx. 10(exp 11) to approx. 10(exp 14) eV. The instrument consists of a silicon matrix charge detector, plastic scintillator strip hodoscopes interleaved with graphite interaction targets, and a fully active Bismuth Germanate (BGO) calorimeter. ATIC had two successful Long Duration Balloon flights launched from McMurdo Station, Antarctica in 2000 and 2002. In this paper, spectra of various elements measured during the first 16 day flight are presented.

DART model for irradiation-induced swelling of uranium silicide dispersion fuel elements

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

Rest, J.; Hofman, G.L.

1999-04-01

Models for the interaction of uranium silicide dispersion fuels with an aluminum matrix, for the resultant reaction product swelling, and for the calculation of the stress gradient within the fuel particles are described within the context of DART fission-gas-induced swelling models. The effects of an aluminide shell on fuel particle swelling are evaluated. Validation of the model is demonstrated by comparing DART calculations with irradiation data for the swelling of U{sub 3}SiAl-Al and U{sub 3}Si{sub 2}-Al in variously designed dispersion fuel elements.

Dart model for irradiation-induced swelling of dispersion fuel elements including aluminum-fuel interaction

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

Rest, J.; Hofman, G.L.

1997-06-01

The Dispersion Analysis Research Tool (DART) contains models for fission-gas induced fuel swelling, interaction of fuel with the matrix aluminum, resultant reaction-product swelling, and calculation of the stress gradient within the fuel particle. The effects of an aluminide shell on fuel particle swelling are evaluated. Validation of the model is demonstrated by a comparison of DART calculations of fuel swelling of U{sub 3}SiAl-Al and U{sub 3}Si{sub 2}-Al for various dispersion fuel element designs with the data. DART results are compared with data for fuel swelling Of U{sub 3}SiAl-Al in plate, tube, and rod configurations as a function of fission density.more » Plate and tube calculations were performed at a constant fuel temperature of 373 K and 518 K, respectively. An irradiation temperature of 518 K results in a calculated aluminide layer thickness for the Russian tube that is in the center of the measured range (16 {mu}m). Rod calculations were performed with a temperature gradient across the rod characterized by surface and central temperatures of 373 K and 423 K, respectively. The effective yield stress of irradiated Al matrix material and the aluminide was determined by comparing the results of DART calculations with postirradiation immersion volume measurement of U{sub 3}SiAl plates. The values for the effective yield stress were used in all subsequent simulations. The lower calculated fuel swelling in the rod-type element is due to an assumed biaxial stress state. Fuel swelling in plates results in plate thickness increase only. Likewise, in tubes, only the wall thickness increases. Irradiation experiments have shown that plate-type dispersion fuel elements can develop blisters or pillows at high U-235 burnup when fuel compounds exhibiting breakaway swelling are used at moderate to high fuel volume fractions. DART-calculated interaction layer thickness and fuel swelling follows the trends of the observations. 3 refs., 2 figs.« less

2D and 3D Matrices to Study Linear Invadosome Formation and Activity.

PubMed

Di Martino, Julie; Henriet, Elodie; Ezzoukhry, Zakaria; Mondal, Chandrani; Bravo-Cordero, Jose Javier; Moreau, Violaine; Saltel, Frederic

2017-06-02

Cell adhesion, migration, and invasion are involved in many physiological and pathological processes. For example, during metastasis formation, tumor cells have to cross anatomical barriers to invade and migrate through the surrounding tissue in order to reach blood or lymphatic vessels. This requires the interaction between cells and the extracellular matrix (ECM). At the cellular level, many cells, including the majority of cancer cells, are able to form invadosomes, which are F-actin-based structures capable of degrading ECM. Invadosomes are protrusive actin structures that recruit and activate matrix metalloproteinases (MMPs). The molecular composition, density, organization, and stiffness of the ECM are crucial in regulating invadosome formation and activation. In vitro, a gelatin assay is the standard assay used to observe and quantify invadosome degradation activity. However, gelatin, which is denatured collagen I, is not a physiological matrix element. A novel assay using type I collagen fibrils was developed and used to demonstrate that this physiological matrix is a potent inducer of invadosomes. Invadosomes that form along the collagen fibrils are known as linear invadosomes due to their linear organization on the fibers. Moreover, molecular analysis of linear invadosomes showed that the discoidin domain receptor 1 (DDR1) is the receptor involved in their formation. These data clearly demonstrate the importance of using a physiologically relevant matrix in order to understand the complex interactions between cells and the ECM.

Recognition and defect detection of dot-matrix text via variation-model based learning

NASA Astrophysics Data System (ADS)

Ohyama, Wataru; Suzuki, Koushi; Wakabayashi, Tetsushi

2017-03-01

An algorithm for recognition and defect detection of dot-matrix text printed on products is proposed. Extraction and recognition of dot-matrix text contains several difficulties, which are not involved in standard camera-based OCR, that the appearance of dot-matrix characters is corrupted and broken by illumination, complex texture in the background and other standard characters printed on product packages. We propose a dot-matrix text extraction and recognition method which does not require any user interaction. The method employs detected location of corner points and classification score. The result of evaluation experiment using 250 images shows that recall and precision of extraction are 78.60% and 76.03%, respectively. Recognition accuracy of correctly extracted characters is 94.43%. Detecting printing defect of dot-matrix text is also important in the production scene to avoid illegal productions. We also propose a detection method for printing defect of dot-matrix characters. The method constructs a feature vector of which elements are classification scores of each character class and employs support vector machine to classify four types of printing defect. The detection accuracy of the proposed method is 96.68 %.

Sparsity of the normal matrix in the refinement of macromolecules at atomic and subatomic resolution.

PubMed

Jelsch, C

2001-09-01

The normal matrix in the least-squares refinement of macromolecules is very sparse when the resolution reaches atomic and subatomic levels. The elements of the normal matrix, related to coordinates, thermal motion and charge-density parameters, have a global tendency to decrease rapidly with the interatomic distance between the atoms concerned. For instance, in the case of the protein crambin at 0.54 A resolution, the elements are reduced by two orders of magnitude for distances above 1.5 A. The neglect a priori of most of the normal-matrix elements according to a distance criterion represents an approximation in the refinement of macromolecules, which is particularly valid at very high resolution. The analytical expressions of the normal-matrix elements, which have been derived for the coordinates and the thermal parameters, show that the degree of matrix sparsity increases with the diffraction resolution and the size of the asymmetric unit.

Theoretical study of solvent effects on the electronic coupling matrix elements in rigidly linked donor-acceptor systems

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

Cave, R.J.; Newton, M.D.; Kumar, K.

1995-12-07

The recently developed generalized Mulliken-Hush approach for the calculation of the electronic coupling matrix element for electron-transfer processes is applied to two rigidly linked donor-bridge-acceptor systems having dimethoxyanthracene as the donor and a dicarbomethoxycyclobutene unit as the acceptor. The dependence of the electronic coupling matrix element as a function of bridge type is examined with and without solvent molecules present. For clamp-shaped bridge structures solvent can have a dramatic effect on the electronic coupling matrix element. The behavior with variation of solvent is in good agreement with that observed experimentally for these systems. 23 refs., 2 tabs.

Double Charge Exchange Reactions and Double Beta Decay

NASA Astrophysics Data System (ADS)

Auerbach, N.

2018-05-01

The subject of this presentation is at the forefront of nuclear physics, namely double beta decay. In particular one is most interested in the neutrinoless process of double beta decay, when the decay proceeds without the emission of two neutrinos. The observation of such decay would mean that the lepton conservation symmetry is violated and that the neutrinos are of Majorana type, meaning that they are their own anti-particles. The life time of this process has two unknowns, the mass of the neutrino and the nuclear matrix element. Determining the nuclear matrix element and knowing the cross-section well will set limits on the neutrino mass. There is a concentrated effort among the nuclear physics community to calculate this matrix element. Usually these matrix elements are a very small part of the total strength of the transition operators involved in the process. There is no simple way to “calibrate” the nuclear double beta decay matrix element. The double beta decay is a double charge exchange process, therefore it is proposed that double charge exchange reactions using ion projectiles on nuclei that are candidates for double beta decay, will provide additional necessary information about the nuclear matrix elements.

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

Miller, Thomas Martin; Patton, Bruce W.; Weber, Charles F.

The primary goal of this project is to evaluate x-ray spectra generated within a scanning electron microscope (SEM) to determine elemental composition of small samples. This will be accomplished by performing Monte Carlo simulations of the electron and photon interactions in the sample and in the x-ray detector. The elemental inventories will be determined by an inverse process that progressively reduces the difference between the measured and simulated x-ray spectra by iteratively adjusting composition and geometric variables in the computational model. The intended benefit of this work will be to develop a method to perform quantitative analysis on substandard samplesmore » (heterogeneous phases, rough surfaces, small sizes, etc.) without involving standard elemental samples or empirical matrix corrections (i.e., true standardless quantitative analysis).« less

The Linear Parameters and the Decoupling Matrix for Linearly Coupled Motion in 6 Dimensional Phase Space

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

Parzen, George

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 x 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 x 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4- dimensional phase space, wheremore » R has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, the β i,α i, i = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters,β i,α i, i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters α i and β i, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programing procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

The linear parameters and the decoupling matrix for linearly coupled motion in 6 dimensional phase space. Informal report

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

Parzen, G.

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 {times} 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 {times} 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4-dimensional phase space, where Rmore » has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, {beta}{sub i}, {alpha}{sub i} = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters, the {beta}{sub i}, {alpha}{sub i} i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters {alpha}{sub i} and {beta}{sub i}, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programming procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH.

PubMed

Kashinski, D O; Talbi, D; Hickman, A P; Di Nallo, O E; Colboc, F; Chakrabarti, K; Schneider, I F; Mezei, J Zs

2017-05-28

A quantitative theoretical study of the dissociative recombination of SH + with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH + and SH. The block diagonalization method was used to disentangle strongly interacting SH valence and Rydberg states and to construct a diabatic Hamiltonian whose diagonal matrix elements provide the diabatic potential energy curves. The off-diagonal elements are related to the electronic valence-Rydberg couplings. Cross sections and rate coefficients for the dissociative recombination reaction were calculated with a stepwise version of the multichannel quantum defect theory, using the molecular data provided by the block diagonalization method. The calculated rates are compared with the most recent measurements performed on the ion Test Storage Ring (TSR) in Heidelberg, Germany.

Modular Exhaust Design and Manufacturing Techniques for Low Cost Mid Volume Rapid Buidl to Order Systems

DTIC Science & Technology

2014-08-06

the pressure field is uniform across them, but which allow mass flow to be diverted. Series elements have a constant mass flow across the ports...they can be used to calculate the pressure and mass flow after the element from the pressure and mass flow prior to the element, as shown in...the matrix product of each transfer matrix in turn. The final matrix gives no information about the pressures and mass flows within the element

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

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

Gim, Yeongrok; Department of Chemistry, Ajou University, Suwon 443-749; Lee, Chun-Woo, E-mail: clee@ajou.ac.kr

2014-10-14

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipolemore » moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n{sup 2}. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s–d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n{sup −3/2} dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.« less

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

NASA Astrophysics Data System (ADS)

Gim, Yeongrok; Lee, Chun-Woo

2014-10-01

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipole moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n2. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s-d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n-3/2 dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

PubMed

Saravanan, Chandra; Shao, Yihan; Baer, Roi; Ross, Philip N; Head-Gordon, Martin

2003-04-15

A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linear-scaling methods with atom-centered basis functions. Compared to conventional element-by-element sparse matrix multiplication schemes, efficiency is gained by the use of the highly optimized basic linear algebra subroutines (BLAS). However, some sparsity is lost in the multiatom blocking scheme because these matrix blocks will in general contain negligible elements. As a result, an optimal block size that minimizes the CPU time by balancing these two effects is recovered. In calculations on linear alkanes, polyglycines, estane polymers, and water clusters the optimal block size is found to be between 40 and 100 basis functions, where about 55-75% of the machine peak performance was achieved on an IBM RS6000 workstation. In these calculations, the blocked sparse matrix multiplications can be 10 times faster than a standard element-by-element sparse matrix package. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 618-622, 2003

In vitro model to study the effects of matrix stiffening on Ca2+ handling and myofilament function in isolated adult rat cardiomyocytes

PubMed Central

Najafi, Aref; Fontoura, Dulce; Valent, Erik; Goebel, Max; Kardux, Kim; Falcão‐Pires, Inês; van der Velden, Jolanda

2017-01-01

Key points This paper describes a novel model that allows exploration of matrix‐induced cardiomyocyte adaptations independent of the passive effect of matrix rigidity on cardiomyocyte function.Detachment of adult cardiomyocytes from the matrix enables the study of matrix effects on cell shortening, Ca2+ handling and myofilament function.Cell shortening and Ca2+ handling are altered in cardiomyocytes cultured for 24 h on a stiff matrix.Matrix stiffness‐impaired cardiomyocyte contractility is reversed upon normalization of extracellular stiffness.Matrix stiffness‐induced reduction in unloaded shortening is more pronounced in cardiomyocytes isolated from obese ZSF1 rats with heart failure with preserved ejection fraction compared to lean ZSF1 rats. Abstract Extracellular matrix (ECM) stiffening is a key element of cardiac disease. Increased rigidity of the ECM passively inhibits cardiac contraction, but if and how matrix stiffening also actively alters cardiomyocyte contractility is incompletely understood. In vitro models designed to study cardiomyocyte–matrix interaction lack the possibility to separate passive inhibition by a stiff matrix from active matrix‐induced alterations of cardiomyocyte properties. Here we introduce a novel experimental model that allows exploration of cardiomyocyte functional alterations in response to matrix stiffening. Adult rat cardiomyocytes were cultured for 24 h on matrices of tuneable stiffness representing the healthy and the diseased heart and detached from their matrix before functional measurements. We demonstrate that matrix stiffening, independent of passive inhibition, reduces cell shortening and Ca2+ handling but does not alter myofilament‐generated force. Additionally, detachment of adult cultured cardiomyocytes allowed the transfer of cells from one matrix to another. This revealed that stiffness‐induced cardiomyocyte changes are reversed when matrix stiffness is normalized. These matrix stiffness‐induced changes in cardiomyocyte function could not be explained by adaptation in the microtubules. Additionally, cardiomyocytes isolated from stiff hearts of the obese ZSF1 rat model of heart failure with preserved ejection fraction show more pronounced reduction in unloaded shortening in response to matrix stiffening. Taken together, we introduce a method that allows evaluation of the influence of ECM properties on cardiomyocyte function separate from the passive inhibitory component of a stiff matrix. As such, it adds an important and physiologically relevant tool to investigate the functional consequences of cardiomyocyte–matrix interactions. PMID:28485491

Refractive index inversion based on Mueller matrix method

NASA Astrophysics Data System (ADS)

Fan, Huaxi; Wu, Wenyuan; Huang, Yanhua; Li, Zhaozhao

2016-03-01

Based on Stokes vector and Jones vector, the correlation between Mueller matrix elements and refractive index was studied with the result simplified, and through Mueller matrix way, the expression of refractive index inversion was deduced. The Mueller matrix elements, under different incident angle, are simulated through the expression of specular reflection so as to analyze the influence of the angle of incidence and refractive index on it, which is verified through the measure of the Mueller matrix elements of polished metal surface. Research shows that, under the condition of specular reflection, the result of Mueller matrix inversion is consistent with the experiment and can be used as an index of refraction of inversion method, and it provides a new way for target detection and recognition technology.

Mean Green operators of deformable fiber networks embedded in a compliant matrix and property estimates

NASA Astrophysics Data System (ADS)

Franciosi, Patrick; Spagnuolo, Mario; Salman, Oguz Umut

2018-04-01

Composites comprising included phases in a continuous matrix constitute a huge class of meta-materials, whose effective properties, whether they be mechanical, physical or coupled, can be selectively optimized by using appropriate phase arrangements and architectures. An important subclass is represented by "network-reinforced matrices," say those materials in which one or more of the embedded phases are co-continuous with the matrix in one or more directions. In this article, we present a method to study effective properties of simple such structures from which more complex ones can be accessible. Effective properties are shown, in the framework of linear elasticity, estimable by using the global mean Green operator for the entire embedded fiber network which is by definition through sample spanning. This network operator is obtained from one of infinite planar alignments of infinite fibers, which the network can be seen as an interpenetrated set of, with the fiber interactions being fully accounted for in the alignments. The mean operator of such alignments is given in exact closed form for isotropic elastic-like or dielectric-like matrices. We first exemplify how these operators relevantly provide, from classic homogenization frameworks, effective properties in the case of 1D fiber bundles embedded in an isotropic elastic-like medium. It is also shown that using infinite patterns with fully interacting elements over their whole influence range at any element concentration suppresses the dilute approximation limit of these frameworks. We finally present a construction method for a global operator of fiber networks described as interpenetrated such bundles.

Relativistic calculation of correlational energy for a helium-like atom

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

Palchikov, V.G.

This paper presents an analytical method for calculating the firstorder correlational energy from the electron interaction, taking account of lag effects. Explicit analytical expressions are obtained for radial matrix elements. The nonrelativistic limit is investigated. The given method may be used to calculate correlation effects in higher orders of perturbation theory (second and higher orders with respect to 1/z) using the Strum expansion for the Coulomb Green's functions.

Remarks on non-BPS string amplitudes and their all order α' contact interactions in IIB, IIA

NASA Astrophysics Data System (ADS)

Hatefi, Ehsan

2017-03-01

We explore the entire form of S-Matrix elements of a potential C n-1 Ramond-Ramond (RR) form field, a tachyon and two transverse scalar fields on both world volume and transverse directions of type IIB and IIA superstring theories. Apart from < {V}_{C^{-2}}{V}_{φ^0}{V}_{φ^0}{V}_{T^0}\\rangle the other scattering amplitude, namely < {V}_{C^{-1}}{V}_{φ^{-1}}{V}_{φ^0}{V}_{T^0}\\rangle is also revealed. We then start to compare all singularity structures of symmetric and asymmetric analysis, generating all infinite singularity structures as well as all order α' contact interactions on the whole directions. This leads to deriving various new contact terms and several new restricted Bianchi identities in both type IIB and IIA. It is also shown that just some of the new couplings of type IIB (IIA) string theory can be re-verified in an Effective Field Theory (EFT) by pull-back of branes. To construct the rest of S-matrix elements one needs to first derive restricted world volume (or bulk) Bianchi identities and then discover new EFT couplings in both type IIB and IIA. Finally the presence of commutator of scalar fields inside the exponential of Wess-Zumino action for non-BPS branes has been confirmed as well.

Non-adiabatic couplings and dynamics in proton transfer reactions of Hn+ systems: application to H2+H2+→H+H3+ collisions

PubMed Central

Sanz-Sanz, Cristina; Aguado, Alfredo; Roncero, Octavio; Naumkin, Fedor

2016-01-01

Analytical derivatives and non-adiabatic coupling matrix elements are derived for Hn+ systems (n=3, 4 and 5). The method uses a generalized Hellmann-Feynman theorem applied to a multi-state description based on diatomics-in-molecules (for H3+) or triatomics-in-molecules (for H4+ and H5+) formalisms, corrected with a permutationally invariant many-body term to get high accuracy. The analytical non-adiabatic coupling matrix elements are compared with ab initio calculations performed at multi-reference configuration interaction level. These magnitudes are used to calculate H2(v′=0,j′=0)+H2+(v,j=0) collisions, to determine the effect of electronic transitions using a molecular dynamics method with electronic transitions. Cross sections for several initial vibrational states of H2+ are calculated and compared with the available experimental data, yielding an excellent agreement. The effect of vibrational excitation of H2+ reactant, and its relation with non-adiabatic processes are discussed. Also, the behavior at low collisional energies, in the 1 meV-0.1 eV interval, of interest in astrophysical environments, are discussed in terms of the long range behaviour of the interaction potential which is properly described within the TRIM formalism. PMID:26696058

Deploy production sliding mesh capability with linear solver benchmarking.

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

Domino, Stefan P.; Thomas, Stephen; Barone, Matthew F.

Wind applications require the ability to simulate rotating blades. To support this use-case, a novel design-order sliding mesh algorithm has been developed and deployed. The hybrid method combines the control volume finite element methodology (CVFEM) with concepts found within a discontinuous Galerkin (DG) finite element method (FEM) to manage a sliding mesh. The method has been demonstrated to be design-order for the tested polynomial basis (P=1 and P=2) and has been deployed to provide production simulation capability for a Vestas V27 (225 kW) wind turbine. Other stationary and canonical rotating ow simulations are also presented. As the majority of wind-energymore » applications are driving extensive usage of hybrid meshes, a foundational study that outlines near-wall numerical behavior for a variety of element topologies is presented. Results indicate that the proposed nonlinear stabilization operator (NSO) is an effective stabilization methodology to control Gibbs phenomena at large cell Peclet numbers. The study also provides practical mesh resolution guidelines for future analysis efforts. Application-driven performance and algorithmic improvements have been carried out to increase robustness of the scheme on hybrid production wind energy meshes. Specifically, the Kokkos-based Nalu Kernel construct outlined in the FY17/Q4 ExaWind milestone has been transitioned to the hybrid mesh regime. This code base is exercised within a full V27 production run. Simulation timings for parallel search and custom ghosting are presented. As the low-Mach application space requires implicit matrix solves, the cost of matrix reinitialization has been evaluated on a variety of production meshes. Results indicate that at low element counts, i.e., fewer than 100 million elements, matrix graph initialization and preconditioner setup times are small. However, as mesh sizes increase, e.g., 500 million elements, simulation time associated with \\setup-up" costs can increase to nearly 50% of overall simulation time when using the full Tpetra solver stack and nearly 35% when using a mixed Tpetra- Hypre-based solver stack. The report also highlights the project achievement of surpassing the 1 billion element mesh scale for a production V27 hybrid mesh. A detailed timing breakdown is presented that again suggests work to be done in the setup events associated with the linear system. In order to mitigate these initialization costs, several application paths have been explored, all of which are designed to reduce the frequency of matrix reinitialization. Methods such as removing Jacobian entries on the dynamic matrix columns (in concert with increased inner equation iterations), and lagging of Jacobian entries have reduced setup times at the cost of numerical stability. Artificially increasing, or bloating, the matrix stencil to ensure that full Jacobians are included is developed with results suggesting that this methodology is useful in decreasing reinitialization events without loss of matrix contributions. With the above foundational advances in computational capability, the project is well positioned to begin scientific inquiry on a variety of wind-farm physics such as turbine/turbine wake interactions.« less

Origin of a sensitive dependence of calculated {beta}{beta}-decay amplitudes on the particle-particle residual interaction

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

Rodin, Vadim; Faessler, Amand

2011-07-15

In the present work the sensitivity of calculated {beta}{beta}-decay amplitudes to a realistic residual interaction is analyzed in the framework of the approach of O. A. Rumyantsev and M. H. Urin, Phys. Lett. B 443, 51 (1998). and V. A. Rodin, M. H. Urin, and A. Faessler, Nucl. Phys. A 747, 297 (2005). Both the Gamow-Teller (GT) and Fermi (F) matrix elements M{sup 2}{nu} for two-neutrino {beta}{beta} decay (2{nu}{beta}{beta} decay), along with the monopole transition contributions to the total matrix elements M{sup 0{nu}} of neutrinoless {beta}{beta} decay (0{nu}{beta}{beta} decay), are calculated within the quasiparticle random-phase approximation (QRPA). In the aforementionedmore » approach decompositions of M{sup 2{nu}} and M{sup 0{nu}} can be obtained in terms of the corresponding energy-weighted sum rules S. It is shown that in most of the cases almost the whole dependence of M{sup 2{nu}} and M{sup 0{nu}} on the particle-particle (p-p) renormalization parameter g{sub pp} is accounted for by the g{sub pp} dependence of the corresponding sum rules S. General expressions relating S to a realistic residual particle-particle interaction are derived, which show a pronounced sensitivity of S to the singlet-channel interaction in the case of F transitions and to the triplet-channel interaction in the case of GT transitions. Thus, the sensitivity of M{sup 2{nu}} and M{sup 0{nu}} to the SU(4)-symmetry-breaking part of the p-p residual interaction is dictated by the generic structure of the {beta}{beta}-decay amplitudes. Therefore, a choice of this part in a particular calculation needs a special caution. Finally, a better isospin-consistent way of renormalization of a realistic residual p-p interaction to use in QRPA calculations is suggested.« less

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.

Hypercube matrix computation task

NASA Technical Reports Server (NTRS)

Calalo, Ruel H.; Imbriale, William A.; Jacobi, Nathan; Liewer, Paulett C.; Lockhart, Thomas G.; Lyzenga, Gregory A.; Lyons, James R.; Manshadi, Farzin; Patterson, Jean E.

1988-01-01

A major objective of the Hypercube Matrix Computation effort at the Jet Propulsion Laboratory (JPL) is to investigate the applicability of a parallel computing architecture to the solution of large-scale electromagnetic scattering problems. Three scattering analysis codes are being implemented and assessed on a JPL/California Institute of Technology (Caltech) Mark 3 Hypercube. The codes, which utilize different underlying algorithms, give a means of evaluating the general applicability of this parallel architecture. The three analysis codes being implemented are a frequency domain method of moments code, a time domain finite difference code, and a frequency domain finite elements code. These analysis capabilities are being integrated into an electromagnetics interactive analysis workstation which can serve as a design tool for the construction of antennas and other radiating or scattering structures. The first two years of work on the Hypercube Matrix Computation effort is summarized. It includes both new developments and results as well as work previously reported in the Hypercube Matrix Computation Task: Final Report for 1986 to 1987 (JPL Publication 87-18).

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

Matrix management in hospitals: testing theories of matrix structure and development.

PubMed

Burns, L R

1989-09-01

A study of 315 hospitals with matrix management programs was used to test several hypotheses concerning matrix management advanced by earlier theorists. The study verifies that matrix management involves several distinctive elements that can be scaled to form increasingly complex types of lateral coordinative devices. The scalability of these elements is evident only cross-sectionally. The results show that matrix complexity is not an outcome of program age, nor does matrix complexity at the time of implementation appear to influence program survival. Matrix complexity, finally, is not determined by the organization's task diversity and uncertainty. The results suggest several modifications in prevailing theories of matrix organization.

Enhancing interacting residue prediction with integrated contact matrix prediction in protein-protein interaction.

PubMed

Du, Tianchuan; Liao, Li; Wu, Cathy H

2016-12-01

Identifying the residues in a protein that are involved in protein-protein interaction and identifying the contact matrix for a pair of interacting proteins are two computational tasks at different levels of an in-depth analysis of protein-protein interaction. Various methods for solving these two problems have been reported in the literature. However, the interacting residue prediction and contact matrix prediction were handled by and large independently in those existing methods, though intuitively good prediction of interacting residues will help with predicting the contact matrix. In this work, we developed a novel protein interacting residue prediction system, contact matrix-interaction profile hidden Markov model (CM-ipHMM), with the integration of contact matrix prediction and the ipHMM interaction residue prediction. We propose to leverage what is learned from the contact matrix prediction and utilize the predicted contact matrix as "feedback" to enhance the interaction residue prediction. The CM-ipHMM model showed significant improvement over the previous method that uses the ipHMM for predicting interaction residues only. It indicates that the downstream contact matrix prediction could help the interaction site prediction.

Mitigation of Faraday rotation in ALOS-2/PALSAR-2 full polarimetric SAR imageries

NASA Astrophysics Data System (ADS)

Mohanty, Shradha; Singh, Gulab

2016-05-01

The ionosphere, which extends from 50-450 kms in earth's atmosphere, is a particularly important region with regards electromagnetic wave propagation and radio communications in the L-band and lower frequencies. These ions interact with the traversing electromagnetic wave and cause rotation of polarization of the radar signal. In this paper, a potentially computable method for quantifying Faraday rotation (FR), is discussed with the knowledge of full polarimetric ALOS/PALSAR data and ALOS-2/PALSAR-2 data. For a well calibrated monostatic, full-pol ALOS-2/PALSAR-2 data, the reciprocal symmetry of the received scattering matrix is violated due to FR. Apart from FR, other system parameters like residual system noise, channel amplitude, phase imbalance and cross-talk, also account for the non-symmetry. To correct for the FR effect, firstly the noise correction was performed. PALSAR/PALSAR-2 data was converted into 4×4 covariance matrix to calculate the coherence between cross-polarized elements. Covariance matrix was modified by the coherence factor. For FR corrections, the covariance matrix was converted into 4×4 coherency matrix. The elements of coherency matrix were used to estimate FR angle and correct for FR. Higher mean FR values during ALOS-PALSAR measurements can be seen in regions nearer to the equator and the values gradually decrease with increase in latitude. Moreover, temporal variations in FR can also be noticed over different years (2006-2010), with varying sunspot activities for the Niigata, Japan test site. With increasing sunspot activities expected during ALOS-2/PALSAR-2 observations, more striping effects were observed over Mumbai, India. This data has also been FR corrected, with mean FR values of about 8°, using the above mentioned technique.

Superconducting coil and method of stress management in a superconducting coil

DOEpatents

McIntyre, Peter M.; Shen, Weijun; Diaczenko, Nick; Gross, Dan A.

1999-01-01

A superconducting coil (12) having a plurality of superconducting layers (18) is provided. Each superconducting layer (18) may have at least one superconducting element (20) which produces an operational load. An outer support structure (24) may be disposed outwardly from the plurality of layers (18). A load transfer system (22) may be coupled between at least one of the superconducting elements (20) and the outer support structure (24). The load transfer system (22) may include a support matrix structure (30) operable to transfer the operational load from the superconducting element (20) directly to the outer support structure (24). A shear release layer (40) may be disposed, in part, between the superconducting element (20) and the support matrix structure (30) for relieving a shear stress between the superconducting element (20) and the support matrix structure (30). A compliant layer (42) may also be disposed, in part, between the superconducting element (20) and the support matrix structure (30) for relieving a compressive stress on the superconducting element (20).

Neutronic fuel element fabrication

DOEpatents

Korton, George

2004-02-24

This disclosure describes a method for metallurgically bonding a complete leak-tight enclosure to a matrix-type fuel element penetrated longitudinally by a multiplicity of coolant channels. Coolant tubes containing solid filler pins are disposed in the coolant channels. A leak-tight metal enclosure is then formed about the entire assembly of fuel matrix, coolant tubes and pins. The completely enclosed and sealed assembly is exposed to a high temperature and pressure gas environment to effect a metallurgical bond between all contacting surfaces therein. The ends of the assembly are then machined away to expose the pin ends which are chemically leached from the coolant tubes to leave the coolant tubes with internal coolant passageways. The invention described herein was made in the course of, or under, a contract with the U.S. Atomic Energy Commission. It relates generally to fuel elements for neutronic reactors and more particularly to a method for providing a leak-tight metal enclosure for a high-performance matrix-type fuel element penetrated longitudinally by a multiplicity of coolant tubes. The planned utilization of nuclear energy in high-performance, compact-propulsion and mobile power-generation systems has necessitated the development of fuel elements capable of operating at high power densities. High power densities in turn require fuel elements having high thermal conductivities and good fuel retention capabilities at high temperatures. A metal clad fuel element containing a ceramic phase of fuel intimately mixed with and bonded to a continuous refractory metal matrix has been found to satisfy the above requirements. Metal coolant tubes penetrate the matrix to afford internal cooling to the fuel element while providing positive fuel retention and containment of fission products generated within the fuel matrix. Metal header plates are bonded to the coolant tubes at each end of the fuel element and a metal cladding or can completes the fuel-matrix enclosure by encompassing the sides of the fuel element between the header plates.

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

NASA Astrophysics Data System (ADS)

Felker, Peter M.; Bačić, Zlatko

2017-09-01

We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

First-order intervalley scattering in low-dimensional systems

NASA Astrophysics Data System (ADS)

Monsef, Florian; Dollfus, Philippe; Galdin, Sylvie; Bournel, Arnaud

2002-06-01

The intervalley phonon scattering rate in one- and two-dimensional electron gases is calculated for the case in which the transition matrix element is of first order in the phonon wave vector. This type of interaction is important in silicon at low temperature. The interaction between electrons and bulk phonons is considered in the standard golden rule approach by including the contribution of the components of phonon wave vector in the confinement direction(s). This process makes possible the transition between different subbands, and the resulting total scattering rate differs significantly from the rate commonly used in Si quantum wells.

The phonon-coupling model for Skyrme forces

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

Lyutorovich, N.; Tselyaev, V.; Speth, J., E-mail: J.Speth@fz-juelich.de

2016-11-15

A short review on the self-consistent RPA based on the energy-density functional of the Skyrme type is given. We also present an extension of the RPA where the coupling of phonons to the single-particle states is considered. Within this approach we present numerical results which are compared with data. The self-consistent approach is compared with the Landau–Migdal theory. Here we derive from the self-consistent ph interaction, the Landau–Migdal parameters as well as their density dependence. In the Appendix a new derivation of the reduced matrix elements of the ph interaction is presented.

A pedagogical derivation of the matrix element method in particle physics data analysis

NASA Astrophysics Data System (ADS)

Sumowidagdo, Suharyo

2018-03-01

The matrix element method provides a direct connection between the underlying theory of particle physics processes and detector-level physical observables. I am presenting a pedagogically-oriented derivation of the matrix element method, drawing from elementary concepts in probability theory, statistics, and the process of experimental measurements. The level of treatment should be suitable for beginning research student in phenomenology and experimental high energy physics.

Matrix elements of Δ B =0 operators in heavy hadron chiral perturbation theory

NASA Astrophysics Data System (ADS)

Lee, Jong-Wan

2015-05-01

We study the light-quark mass and spatial volume dependence of the matrix elements of Δ B =0 four-quark operators relevant for the determination of Vu b and the lifetime ratios of single-b hadrons. To this end, one-loop diagrams are computed in the framework of heavy hadron chiral perturbation theory with partially quenched formalism for three light-quark flavors in the isospin limit; flavor-connected and -disconnected diagrams are carefully analyzed. These calculations include the leading light-quark flavor and heavy-quark spin symmetry breaking effects in the heavy hadron spectrum. Our results can be used in the chiral extrapolation of lattice calculations of the matrix elements to the physical light-quark masses and to infinite volume. To provide insight on such chiral extrapolation, we evaluate the one-loop contributions to the matrix elements containing external Bd, Bs mesons and Λb baryon in the QCD limit, where sea and valence quark masses become equal. In particular, we find that the matrix elements of the λ3 flavor-octet operators with an external Bd meson receive the contributions solely from connected diagrams in which current lattice techniques are capable of precise determination of the matrix elements. Finite volume effects are at most a few percent for typical lattice sizes and pion masses.

Re-Evaluation of Event Correlations in Virtual California Using Statistical Analysis

NASA Astrophysics Data System (ADS)

Glasscoe, M. T.; Heflin, M. B.; Granat, R. A.; Yikilmaz, M. B.; Heien, E.; Rundle, J.; Donnellan, A.

2010-12-01

Fusing the results of simulation tools with statistical analysis methods has contributed to our better understanding of the earthquake process. In a previous study, we used a statistical method to investigate emergent phenomena in data produced by the Virtual California earthquake simulator. The analysis indicated that there were some interesting fault interactions and possible triggering and quiescence relationships between events. We have converted the original code from Matlab to python/C++ and are now evaluating data from the most recent version of Virtual California in order to analyze and compare any new behavior exhibited by the model. The Virtual California earthquake simulator can be used to study fault and stress interaction scenarios for realistic California earthquakes. The simulation generates a synthetic earthquake catalog of events with a minimum size of ~M 5.8 that can be evaluated using statistical analysis methods. Virtual California utilizes realistic fault geometries and a simple Amontons - Coulomb stick and slip friction law in order to drive the earthquake process by means of a back-slip model where loading of each segment occurs due to the accumulation of a slip deficit at the prescribed slip rate of the segment. Like any complex system, Virtual California may generate emergent phenomena unexpected even by its designers. In order to investigate this, we have developed a statistical method that analyzes the interaction between Virtual California fault elements and thereby determine whether events on any given fault elements show correlated behavior. Our method examines events on one fault element and then determines whether there is an associated event within a specified time window on a second fault element. Note that an event in our analysis is defined as any time an element slips, rather than any particular “earthquake” along the entire fault length. Results are then tabulated and then differenced with an expected correlation, calculated by assuming a uniform distribution of events in time. We generate a correlation score matrix, which indicates how weakly or strongly correlated each fault element is to every other in the course of the VC simulation. We calculate correlation scores by summing the difference between the actual and expected correlations over all time window lengths and normalizing by the time window size. The correlation score matrix can focus attention on the most interesting areas for more in-depth analysis of event correlation vs. time. The previous study included 59 faults (639 elements) in the model, which included all the faults save the creeping section of the San Andreas. The analysis spanned 40,000 yrs of Virtual California-generated earthquake data. The newly revised VC model includes 70 faults, 8720 fault elements, and spans 110,000 years. Due to computational considerations, we will evaluate the elements comprising the southern California region, which our previous study indicated showed interesting fault interaction and event triggering/quiescence relationships.

Rephasing invariants of the Cabibbo-Kobayashi- Maskawa matrix

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

Pérez R, H.; Kielanowski, P., E-mail: kiel@fis.cinvestav.mx; Juárez W, S. R., E-mail: rebeca@esfm.ipn.mx

2016-03-15

The paper is motivated by the importance of the rephasing invariance of the CKM (Cabibbo-Kobayashi-Maskawa) matrix observables. These observables appear in the discussion of the CP violation in the standard model (Jarlskog invariant) and also in the renormalization group equations for the quark Yukawa couplings. Our discussion is based on the general phase invariant monomials built out of the CKM matrix elements and their conjugates. We show that there exist 30 fundamental phase invariant monomials and 18 of them are a product of 4 CKM matrix elements and 12 are a product of 6 CKM matrix elements. In the mainmore » theorem we show that a general rephasing invariant monomial can be expressed as a product of at most five factors: four of them are fundamental phase invariant monomials and the fifth factor consists of powers of squares of absolute values of the CKM matrix elements. We also show that the imaginary part of any rephasing invariant monomial is proportional to the Jarlskog’s invariant J or is 0.« less

Development of BEM for ceramic composites

NASA Technical Reports Server (NTRS)

Henry, D. P.; Banerjee, P. K.; Dargush, G. F.

1991-01-01

It is evident that for proper micromechanical analysis of ceramic composites, one needs to use a numerical method that is capable of idealizing the individual fibers or individual bundles of fibers embedded within a three-dimensional ceramic matrix. The analysis must be able to account for high stress or temperature gradients from diffusion of stress or temperature from the fiber to the ceramic matrix and allow for interaction between the fibers through the ceramic matrix. The analysis must be sophisticated enough to deal with the failure of fibers described by a series of increasingly sophisticated constitutive models. Finally, the analysis must deal with micromechanical modeling of the composite under nonlinear thermal and dynamic loading. This report details progress made towards the development of a boundary element code designed for the micromechanical studies of an advanced ceramic composite. Additional effort has been made in generalizing the implementation to allow the program to be applicable to real problems in the aerospace industry.

Fluid flow increases mineralized matrix deposition in 3D perfusion culture of marrow stromal osteoblasts in a dose-dependent manner

NASA Technical Reports Server (NTRS)

Bancroft, Gregory N.; Sikavitsas, Vassilios I.; van den Dolder, Juliette; Sheffield, Tiffany L.; Ambrose, Catherine G.; Jansen, John A.; Mikos, Antonios G.; McIntire, L. V. (Principal Investigator)

2002-01-01

Bone is a complex highly structured mechanically active 3D tissue composed of cellular and matrix elements. The true biological environment of a bone cell is thus derived from a dynamic interaction between responsively active cells experiencing mechanical forces and a continuously changing 3D matrix architecture. To investigate this phenomenon in vitro, marrow stromal osteoblasts were cultured on 3D scaffolds under flow perfusion with different rates of flow for an extended period to permit osteoblast differentiation and significant matrix production and mineralization. With all flow conditions, mineralized matrix production was dramatically increased over statically cultured constructs with the total calcium content of the cultured scaffolds increasing with increasing flow rate. Flow perfusion induced de novo tissue modeling with the formation of pore-like structures in the scaffolds and enhanced the distribution of cells and matrix throughout the scaffolds. These results represent reporting of the long-term effects of fluid flow on primary differentiating osteoblasts and indicate that fluid flow has far-reaching effects on osteoblast differentiation and phenotypic expression in vitro. Flow perfusion culture permits the generation and study of a 3D, actively modeled, mineralized matrix and can therefore be a valuable tool for both bone biology and tissue engineering.

Mn-Site Doped CaMnO 3: Creation of the CMR Effect

NASA Astrophysics Data System (ADS)

Raveau, B.; Zhao, Y. M.; Martin, C.; Hervieu, M.; Maignan, A.

2000-01-01

The doping of CaMnO3-δ at Mn sites with pentavalent and hexavalent d0 elements - Nb, Ta, W, Mo - modifies the resistivity behavior of this phase, extending the insulating domain and increasing significantly the resistivity at low temperature as the doping element content increases. The higher valency of the doping element introduces electrons; i.e., Mn3+ species are formed in the Mn4+ matrix. Double exchange phenomena then allow ferromagnetic interactions, by application of external magnetic fields which are similar to those observed for electron-doped manganites Ca1-xLnxMnO3 (x≤0.15), but with smaller magnetic moments. Consequently, this Mn site doping induces CMR properties with resistivity ratios considerably larger than those for CaMnO3-δ.

Metallic impurities-silicon carbide interaction in HTGR fuel particles

NASA Astrophysics Data System (ADS)

Minato, Kazuo; Ogawa, Toru; Kashimura, Satoru; Fukuda, Kousaku; Shimizu, Michio; Tayama, Yoshinobu; Takahashi, Ishio

1990-12-01

Corrosion of the coating layers of silicon carbide (SiC) by metallic impurities was observed in irradiated Triso-coated uranium dioxide particles for high temperature gas-cooled reactors with an optical microscope and an electron probe micro-analyzer. The SiC layers were attacked from the outside of the particles. The main element observed in the corroded areas was iron, but sometimes iron and nickel were found. These elements must have been contained as impurities in the graphite matrix in which the coated particles were dispersed. Since these elements are more stable thermodynamically in the presence of SiC than in the presence of graphite at irradiation temperatures, they were transferred to the SiC layer to form more stable silicides. During fuel manufacturing processes, intensive care should be taken to prevent the fuel from being contaminated with those elements which react with SiC.

In vitro model to study the effects of matrix stiffening on Ca2+ handling and myofilament function in isolated adult rat cardiomyocytes.

PubMed

van Deel, Elza D; Najafi, Aref; Fontoura, Dulce; Valent, Erik; Goebel, Max; Kardux, Kim; Falcão-Pires, Inês; van der Velden, Jolanda

2017-07-15

This paper describes a novel model that allows exploration of matrix-induced cardiomyocyte adaptations independent of the passive effect of matrix rigidity on cardiomyocyte function. Detachment of adult cardiomyocytes from the matrix enables the study of matrix effects on cell shortening, Ca 2+ handling and myofilament function. Cell shortening and Ca 2+ handling are altered in cardiomyocytes cultured for 24 h on a stiff matrix. Matrix stiffness-impaired cardiomyocyte contractility is reversed upon normalization of extracellular stiffness. Matrix stiffness-induced reduction in unloaded shortening is more pronounced in cardiomyocytes isolated from obese ZSF1 rats with heart failure with preserved ejection fraction compared to lean ZSF1 rats. Extracellular matrix (ECM) stiffening is a key element of cardiac disease. Increased rigidity of the ECM passively inhibits cardiac contraction, but if and how matrix stiffening also actively alters cardiomyocyte contractility is incompletely understood. In vitro models designed to study cardiomyocyte-matrix interaction lack the possibility to separate passive inhibition by a stiff matrix from active matrix-induced alterations of cardiomyocyte properties. Here we introduce a novel experimental model that allows exploration of cardiomyocyte functional alterations in response to matrix stiffening. Adult rat cardiomyocytes were cultured for 24 h on matrices of tuneable stiffness representing the healthy and the diseased heart and detached from their matrix before functional measurements. We demonstrate that matrix stiffening, independent of passive inhibition, reduces cell shortening and Ca 2+ handling but does not alter myofilament-generated force. Additionally, detachment of adult cultured cardiomyocytes allowed the transfer of cells from one matrix to another. This revealed that stiffness-induced cardiomyocyte changes are reversed when matrix stiffness is normalized. These matrix stiffness-induced changes in cardiomyocyte function could not be explained by adaptation in the microtubules. Additionally, cardiomyocytes isolated from stiff hearts of the obese ZSF1 rat model of heart failure with preserved ejection fraction show more pronounced reduction in unloaded shortening in response to matrix stiffening. Taken together, we introduce a method that allows evaluation of the influence of ECM properties on cardiomyocyte function separate from the passive inhibitory component of a stiff matrix. As such, it adds an important and physiologically relevant tool to investigate the functional consequences of cardiomyocyte-matrix interactions. © 2017 The Authors. The Journal of Physiology published by John Wiley & Sons Ltd on behalf of The Physiological Society.

Maximum-Likelihood Methods for Processing Signals From Gamma-Ray Detectors

PubMed Central

Barrett, Harrison H.; Hunter, William C. J.; Miller, Brian William; Moore, Stephen K.; Chen, Yichun; Furenlid, Lars R.

2009-01-01

In any gamma-ray detector, each event produces electrical signals on one or more circuit elements. From these signals, we may wish to determine the presence of an interaction; whether multiple interactions occurred; the spatial coordinates in two or three dimensions of at least the primary interaction; or the total energy deposited in that interaction. We may also want to compute listmode probabilities for tomographic reconstruction. Maximum-likelihood methods provide a rigorous and in some senses optimal approach to extracting this information, and the associated Fisher information matrix provides a way of quantifying and optimizing the information conveyed by the detector. This paper will review the principles of likelihood methods as applied to gamma-ray detectors and illustrate their power with recent results from the Center for Gamma-ray Imaging. PMID:20107527

Simple model for deriving sdg interacting boson model Hamiltonians: 150Nd example

NASA Astrophysics Data System (ADS)

Devi, Y. D.; Kota, V. K. B.

1993-07-01

A simple and yet useful model for deriving sdg interacting boson model (IBM) Hamiltonians is to assume that single-boson energies derive from identical particle (pp and nn) interactions and proton, neutron single-particle energies, and that the two-body matrix elements for bosons derive from pn interaction, with an IBM-2 to IBM-1 projection of the resulting p-n sdg IBM Hamiltonian. The applicability of this model in generating sdg IBM Hamiltonians is demonstrated, using a single-j-shell Otsuka-Arima-Iachello mapping of the quadrupole and hexadecupole operators in proton and neutron spaces separately and constructing a quadrupole-quadrupole plus hexadecupole-hexadecupole Hamiltonian in the analysis of the spectra, B(E2)'s, and E4 strength distribution in the example of 150Nd.

Eigenvalue computations with the QUAD4 consistent-mass matrix

NASA Technical Reports Server (NTRS)

Butler, Thomas A.

1990-01-01

The NASTRAN user has the option of using either a lumped-mass matrix or a consistent- (coupled-) mass matrix with the QUAD4 shell finite element. At the Sixteenth NASTRAN Users' Colloquium (1988), Melvyn Marcus and associates of the David Taylor Research Center summarized a study comparing the results of the QUAD4 element with results of other NASTRAN shell elements for a cylindrical-shell modal analysis. Results of this study, in which both the lumped-and consistent-mass matrix formulations were used, implied that the consistent-mass matrix yielded poor results. In an effort to further evaluate the consistent-mass matrix, a study was performed using both a cylindrical-shell geometry and a flat-plate geometry. Modal parameters were extracted for several modes for both geometries leading to some significant conclusions. First, there do not appear to be any fundamental errors associated with the consistent-mass matrix. However, its accuracy is quite different for the two different geometries studied. The consistent-mass matrix yields better results for the flat-plate geometry and the lumped-mass matrix seems to be the better choice for cylindrical-shell geometries.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

NASA Astrophysics Data System (ADS)

Briceño, Raúl A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-01

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate that the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Finally we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-11

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

Neutrinoless ββ decay mediated by the exchange of light and heavy neutrinos: the role of nuclear structure correlations

NASA Astrophysics Data System (ADS)

Menéndez, J.

2018-01-01

Neutrinoless β β decay nuclear matrix elements calculated with the shell model and energy-density functional theory typically disagree by more than a factor of two in the standard scenario of light-neutrino exchange. In contrast, for a decay mediated by sterile heavy neutrinos the deviations are reduced to about 50%, an uncertainty similar to the one due to short-range effects. We compare matrix elements in the light- and heavy-neutrino-exchange channels, exploring the radial, momentum transfer and angular momentum-parity matrix element distributions, and considering transitions that involve correlated and uncorrelated nuclear states. We argue that the shorter-range heavy-neutrino exchange is less sensitive to collective nuclear correlations, and that discrepancies in matrix elements are mostly due to the treatment of long-range correlations in many-body calculations. Our analysis supports previous studies suggesting that isoscalar pairing correlations, which affect mostly the longer-range part of the neutrinoless β β decay operator, are partially responsible for the differences between nuclear matrix elements in the standard light-neutrino-exchange mechanism.

Computing Fiber/Matrix Interfacial Effects In SiC/RBSN

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Hopkins, Dale A.

1996-01-01

Computational study conducted to demonstrate use of boundary-element method in analyzing effects of fiber/matrix interface on elastic and thermal behaviors of representative laminated composite materials. In study, boundary-element method implemented by Boundary Element Solution Technology - Composite Modeling System (BEST-CMS) computer program.

Minimal parameter solution of the orthogonal matrix differential equation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Markley, F. Landis

1990-01-01

As demonstrated in this work, all orthogonal matrices solve a first order differential equation. The straightforward solution of this equation requires n sup 2 integrations to obtain the element of the nth order matrix. There are, however, only n(n-1)/2 independent parameters which determine an orthogonal matrix. The questions of choosing them, finding their differential equation and expressing the orthogonal matrix in terms of these parameters are considered. Several possibilities which are based on attitude determination in three dimensions are examined. It is shown that not all 3-D methods have useful extensions to higher dimensions. It is also shown why the rate of change of the matrix elements, which are the elements of the angular rate vector in 3-D, are the elements of a tensor of the second rank (dyadic) in spaces other than three dimensional. It is proven that the 3-D Gibbs vector (or Cayley Parameters) are extendable to other dimensions. An algorithm is developed emplying the resulting parameters, which are termed Extended Rodrigues Parameters, and numerical results are presented of the application of the algorithm to a fourth order matrix.

Minimal parameter solution of the orthogonal matrix differential equation

NASA Technical Reports Server (NTRS)

Baritzhack, Itzhack Y.; Markley, F. Landis

1988-01-01

As demonstrated in this work, all orthogonal matrices solve a first order differential equation. The straightforward solution of this equation requires n sup 2 integrations to obtain the element of the nth order matrix. There are, however, only n(n-1)/2 independent parameters which determine an orthogonal matrix. The questions of choosing them, finding their differential equation and expressing the orthogonal matrix in terms of these parameters are considered. Several possibilities which are based on attitude determination in three dimensions are examined. It is shown that not all 3-D methods have useful extensions to higher dimensions. It is also shown why the rate of change of the matrix elements, which are the elements of the angular rate vector in 3-D, are the elements of a tensor of the second rank (dyadic) in spaces other than three dimensional. It is proven that the 3-D Gibbs vector (or Cayley Parameters) are extendable to other dimensions. An algorithm is developed employing the resulting parameters, which are termed Extended Rodrigues Parameters, and numerical results are presented of the application of the algorithm to a fourth order matrix.

Systems and methods for deactivating a matrix converter

DOEpatents

Ransom, Ray M.

2013-04-02

Systems and methods are provided for deactivating a matrix conversion module. An electrical system comprises an alternating current (AC) interface, a matrix conversion module coupled to the AC interface, an inductive element coupled between the AC interface and the matrix conversion module, and a control module. The control module is coupled to the matrix conversion module, and in response to a shutdown condition, the control module is configured to operate the matrix conversion module to deactivate the first conversion module when a magnitude of a current through the inductive element is less than a threshold value.

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

Srivastava, Ashish Kumar, E-mail: ashish.memech@gmail.com; Singh, Akhileshwar; Mokhalingam, A.

Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for themore » interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young’s modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young’s modulus of the Al matrix up to 77 % as compared to pure Al.« less

Stokes-vector and Mueller-matrix polarimetry [Invited].

PubMed

Azzam, R M A

2016-07-01

This paper reviews the current status of instruments for measuring the full 4×1 Stokes vector S, which describes the state of polarization (SOP) of totally or partially polarized light, and the 4×4 Mueller matrix M, which determines how the SOP is transformed as light interacts with a material sample or an optical element or system. The principle of operation of each instrument is briefly explained by using the Stokes-Mueller calculus. The development of fast, automated, imaging, and spectroscopic instruments over the last 50 years has greatly expanded the range of applications of optical polarimetry and ellipsometry in almost every branch of science and technology. Current challenges and future directions of this important branch of optics are also discussed.

Comparison of matrix method and ray tracing in the study of complex optical systems

NASA Astrophysics Data System (ADS)

Anterrieu, Eric; Perez, Jose-Philippe

2000-06-01

In the context of the classical study of optical systems within the geometrical Gauss approximation, the cardinal elements are efficiently obtained with the aid of the transfer matrix between the input and output planes of the system. In order to take into account the geometrical aberrations, a ray tracing approach, using the Snell- Descartes laws, has been implemented in an interactive software. Both methods are applied for measuring the correction to be done to a human eye suffering from ametropia. This software may be used by optometrists and ophthalmologists for solving the problems encountered when considering this pathology. The ray tracing approach gives a significant improvement and could be very helpful for a better understanding of an eventual surgical act.

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

NASA Astrophysics Data System (ADS)

Savage, M.; Beane, S.; Chang, E.; Davoudi, Z.; Detmold, W.; Orginos, K.; Shanahan, P.; Tiburzi, B.; Wagman, M.; Winter, F.; Nplqcd Collaboration

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections and $\\beta\\beta$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $g_A$ that is required in nuclear many-body calculations.

Second level semi-degenerate fields in W_3 Toda theory: matrix element and differential equation

NASA Astrophysics Data System (ADS)

Belavin, Vladimir; Cao, Xiangyu; Estienne, Benoit; Santachiara, Raoul

2017-03-01

In a recent study we considered W_3 Toda 4-point functions that involve matrix elements of a primary field with the highest-weight in the adjoint representation of sl_3 . We generalize this result by considering a semi-degenerate primary field, which has one null vector at level two. We obtain a sixth-order Fuchsian differential equation for the conformal blocks. We discuss the presence of multiplicities, the matrix elements and the fusion rules.

Models and finite element approximations for interacting nanosized piezoelectric bodies and acoustic medium

NASA Astrophysics Data System (ADS)

Nasedkin, A. V.

2017-01-01

This research presents the new size-dependent models of piezoelectric materials oriented to finite element applications. The proposed models include the facilities of taking into account different mechanisms of damping for mechanical and electric fields. The coupled models also incorporate the equations of the theory of acoustics for viscous fluids. In particular cases, these models permit to use the mode superposition method with full separation of the finite element systems into independent equations for the independent modes for transient and harmonic problems. The main boundary conditions were supplemented with the facilities of taking into account the coupled surface effects, allowing to explore the nanoscale piezoelectric materials in the framework of theories of continuous media with surface stresses and their generalizations. For the considered problems we have implemented the finite element technologies and various numerical algorithms to maintain a symmetrical structure of the finite element quasi-definite matrices (matrix structure for the problems with a saddle point).

Geochemical and oxygen isotope perspective of a new R chondrite Dhofar 1671: Affinity with ordinary chondrites

NASA Astrophysics Data System (ADS)

Ali, Arshad; Nasir, Sobhi J.; Jabeen, Iffat; Al Rawas, Ahmed; Banerjee, Neil R.; Osinski, Gordon R.

2017-09-01

Dhofar 1671 is a relatively new meteorite that previous studies suggest belongs to the Rumuruti chondrite class. Major and REE compositions are generally in agreement with average values of the R chondrites (RCs). Moderately volatile elements such as Se and Zn abundances are lower than the R chondrite values that are similar to those in ordinary chondrites (OCs). Porphyritic olivine pyroxene (POP), radial pyroxene (RP), and barred olivine (BO) chondrules are embedded in a proportionately equal volume of matrix, one of the characteristic features of RCs. Microprobe analyses demonstrate compositional zoning in chondrule and matrix olivines showing Fa-poor interior and Fa-rich outer zones. Precise oxygen isotope data for chondrules and matrix obtained by laser-assisted fluorination show a genetic isotopic relationship between OCs and RCs. On the basis of our data, we propose a strong affinity between these groups and suggest that OC chondrule precursors could have interacted with a 17O-rich matrix to form RC chondrules (i.e., ∆17O shifts from 1‰ to 3‰). These interactions could have occurred at the same time as "exotic" clasts in brecciated samples formed such as NWA 10214 (LL3-6), Parnallee (LL3), PCA91241 (R3.8-6), and Dhofar 1671 (R3.6). We also infer that the source of the oxidation and 17O enrichment is the matrix, which may have been enriched in 17O-rich water. The abundance of matrix in RCs relative to OCs, ensured that these rocks would be apparently more oxidized and appreciably 17O-enriched. In situ analysis of Dhofar 1671 is recommended to further strengthen the link between OCs and RCs.

Generalized Mulliken-Hush analysis of electronic coupling interactions in compressed pi-stacked porphyrin-bridge-quinone systems.

PubMed

Zheng, Jieru; Kang, Youn K; Therien, Michael J; Beratan, David N

2005-08-17

Donor-acceptor interactions were investigated in a series of unusually rigid, cofacially compressed pi-stacked porphyrin-bridge-quinone systems. The two-state generalized Mulliken-Hush (GMH) approach was used to compute the coupling matrix elements. The theoretical coupling values evaluated with the GMH method were obtained from configuration interaction calculations using the INDO/S method. The results of this analysis are consistent with the comparatively soft distance dependences observed for both the charge separation and charge recombination reactions. Theoretical studies of model structures indicate that the phenyl units dominate the mediation of the donor-acceptor coupling and that the relatively weak exponential decay of rate with distance arises from the compression of this pi-electron stack.

Trace elements in garnet reveal multiple fluid pulses in eclogite, Ring Mountain, CA

NASA Astrophysics Data System (ADS)

Cruz-Uribe, A. M.; Page, F. Z.; Lozier, E.; Feineman, M. D.; Zack, T.; Mertz-Kraus, R.

2017-12-01

Garnetite veins in a hornblende-eclogite block from Ring Mountain, CA, offer a unique opportunity to investigate the chemical composition of fluid interactions during mélange formation in subduction zones. Garnet occurs as matrix porphyroblasts (2-5 mm) and in 1-5 cm garnetite veins that are laterally continuous up to 10 m across the outcrop. Garnet at the vein edges is slightly larger (300-600 µm) than within the veins (5-50 µm), and records a protracted history of vein garnet growth. Major and trace element concentrations in garnet were determined using EPMA and LA-ICP-MS, respectively. Detailed rim-to-rim trace element traverses were performed using 12 µm spots at 15 µm spacing across one matrix garnet (2 mm) and three vein edge garnet grains (375-570 µm). Zoning in Mn, Ca, and rare earth elements (REE) reveal 5 distinct garnet growth zones. Zone 1, found only in matrix garnet cores, is characterized by decreasing Mn and increasing Ca and is interpreted to reflect prograde zoning. Zones 2-5 are found in the mantles and rims of matrix garnet, and comprise the entirety of vein garnet. Garnet growth in Zones 2-5 is likely heavily influenced by internally- and externally-derived fluids, based on texture and chemistry. One key fluid-related texture of Zones 2-5 is oscillatory birefringence zoning, likely the result of incorporation of small amounts of water into the garnet structure (i.e., hydrogrossular). Zones 2 and 3 are characterized by progressive enrichment in heavy to middle REE from Zone 2 outward into Zone 3. We attribute this to diffusion-limited uptake of REE, wherein the heaviest REE are incorporated first, followed by progressively lighter REE. Zone 3 is also characterized by a high-Mn annulus that appears decoupled from the trace elements. Zone 4 is characterized by a sudden drop in Ca and enrichment in MREE, particularly Dy and Tb, possibly due to epidote breakdown. Zone 5 is characterized by strong enrichment in Mn+REE, with high-HREE and high-MREE oscillatory zones. Oxygen isotope values (δ18O, VSMOW) in Zone 1 (matrix cores) and Zones 2-4 are consistently 10 ‰, indicating that the fluid source for Zones 2-4 is likely internally-derived, or derived from mélange of similar bulk composition. δ18O values for Zone 5 cluster at 7 ‰, which indicates the addition of an externally-derived fluid with low δ18O and high Mn+REE.

Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions.

PubMed

Mineo, H; Niu, Y L; Kuo, J L; Lin, S H; Fujimura, Y

2015-08-28

The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H2O)2 and (D2O)2, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants were calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H2O)2 ((D2O)2). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.

Interaction of electron neutrino with LSD detector

NASA Astrophysics Data System (ADS)

Ryazhskaya, O. G.; Semenov, S. V.

2016-06-01

The interaction of electron neutrino flux, originating in the rotational collapse mechanism on the first stage of Supernova burst, with the LSD detector components, such as 56Fe (a large amount of this metal is included in as shielding material) and liquid scintillator barNnH2n+2, is being investigated. Both charged and neutral channels of neutrino reaction with 12barN and 56Fe are considered. Experimental data, giving the possibility to extract information for nuclear matrix elements calculation are used. The number of signals, produced in LSD by the neutrino pulse of Supernova 1987A is determined. The obtained results are in good agreement with experimental data.

Scintillation Control for Adaptive Optical Sensors

DTIC Science & Technology

1999-09-21

defining where one influence function goes to zero fall directly under the peaks of the adjoining influcence functions. These actuators were fit to ^>gp(i...not orthogonal the influence function interaction matrix R must be computed with elements given by [3] rH = J dxPW(xp)e/b(xp)e,(xp). (22) In our...control signals can be found from the wave front phase by the least squares phase reconstruction technique [3]. An influence function and the

Simulation of sparse matrix array designs

NASA Astrophysics Data System (ADS)

Boehm, Rainer; Heckel, Thomas

2018-04-01

Matrix phased array probes are becoming more prominently used in industrial applications. The main drawbacks, using probes incorporating a very large number of transducer elements, are needed for an appropriate cabling and an ultrasonic device offering many parallel channels. Matrix arrays designed for extended functionality feature at least 64 or more elements. Typical arrangements are square matrices, e.g., 8 by 8 or 11 by 11 or rectangular matrixes, e.g., 8 by 16 or 10 by 12 to fit a 128-channel phased array system. In some phased array systems, the number of simultaneous active elements is limited to a certain number, e.g., 32 or 64. Those setups do not allow running the probe with all elements active, which may cause a significant change in the directivity pattern of the resulting sound beam. When only a subset of elements can be used during a single acquisition, different strategies may be applied to collect enough data for rebuilding the missing information from the echo signal. Omission of certain elements may be one approach, overlay of subsequent shots with different active areas may be another one. This paper presents the influence of a decreased number of active elements on the sound field and their distribution on the array. Solutions using subsets with different element activity patterns on matrix arrays and their advantages and disadvantages concerning the sound field are evaluated using semi-analytical simulation tools. Sound field criteria are discussed, which are significant for non-destructive testing results and for the system setup.

Protein structure similarity from Principle Component Correlation analysis.

PubMed

Zhou, Xiaobo; Chou, James; Wong, Stephen T C

2006-01-25

Owing to rapid expansion of protein structure databases in recent years, methods of structure comparison are becoming increasingly effective and important in revealing novel information on functional properties of proteins and their roles in the grand scheme of evolutionary biology. Currently, the structural similarity between two proteins is measured by the root-mean-square-deviation (RMSD) in their best-superimposed atomic coordinates. RMSD is the golden rule of measuring structural similarity when the structures are nearly identical; it, however, fails to detect the higher order topological similarities in proteins evolved into different shapes. We propose new algorithms for extracting geometrical invariants of proteins that can be effectively used to identify homologous protein structures or topologies in order to quantify both close and remote structural similarities. We measure structural similarity between proteins by correlating the principle components of their secondary structure interaction matrix. In our approach, the Principle Component Correlation (PCC) analysis, a symmetric interaction matrix for a protein structure is constructed with relationship parameters between secondary elements that can take the form of distance, orientation, or other relevant structural invariants. When using a distance-based construction in the presence or absence of encoded N to C terminal sense, there are strong correlations between the principle components of interaction matrices of structurally or topologically similar proteins. The PCC method is extensively tested for protein structures that belong to the same topological class but are significantly different by RMSD measure. The PCC analysis can also differentiate proteins having similar shapes but different topological arrangements. Additionally, we demonstrate that when using two independently defined interaction matrices, comparison of their maximum eigenvalues can be highly effective in clustering structurally or topologically similar proteins. We believe that the PCC analysis of interaction matrix is highly flexible in adopting various structural parameters for protein structure comparison.

Remarks on non-BPS string amplitudes and their all order α' contact interactions in IIB, IIA

DOE PAGES

Hatefi, Ehsan

2017-03-06

Here, we explore the entire form of S-Matrix elements of a potential C n–1 Ramond-Ramond (RR) form field, a tachyon and two transverse scalar fields on both world volume and transverse directions of type IIB and IIA superstring theories. Apart from V C–2V Φ0V Φ0V T0 the other scattering amplitude, namely V C–1V Φ–1V Φ0V T0 is also revealed. We then start to compare all singularity structures of symmetric and asymmetric analysis, generating all infinite singularity structures as well as all order α' contact interactions on the whole directions. This leads to deriving various new contact terms and several newmore » restricted Bianchi identities in both type IIB and IIA. It is also shown that just some of the new couplings of type IIB (IIA) string theory can be re-verified in an Effective Field Theory (EFT) by pull-back of branes. To construct the rest of S-matrix elements one needs to first derive restricted world volume (or bulk) Bianchi identities and then discover new EFT couplings in both type IIB and IIA. Finally the presence of commutator of scalar fields inside the exponential of Wess-Zumino action for non-BPS branes has been confirmed as well.« less

Balance of Interactions Determines Optimal Survival in Multi-Species Communities.

PubMed

Choudhary, Anshul; Sinha, Sudeshna

2015-01-01

We consider a multi-species community modelled as a complex network of populations, where the links are given by a random asymmetric connectivity matrix J, with fraction 1 - C of zero entries, where C reflects the over-all connectivity of the system. The non-zero elements of J are drawn from a Gaussian distribution with mean μ and standard deviation σ. The signs of the elements Jij reflect the nature of density-dependent interactions, such as predatory-prey, mutualism or competition, and their magnitudes reflect the strength of the interaction. In this study we try to uncover the broad features of the inter-species interactions that determine the global robustness of this network, as indicated by the average number of active nodes (i.e. non-extinct species) in the network, and the total population, reflecting the biomass yield. We find that the network transitions from a completely extinct system to one where all nodes are active, as the mean interaction strength goes from negative to positive, with the transition getting sharper for increasing C and decreasing σ. We also find that the total population, displays distinct non-monotonic scaling behaviour with respect to the product μC, implying that survival is dependent not merely on the number of links, but rather on the combination of the sparseness of the connectivity matrix and the net interaction strength. Interestingly, in an intermediate window of positive μC, the total population is maximal, indicating that too little or too much positive interactions is detrimental to survival. Rather, the total population levels are optimal when the network has intermediate net positive connection strengths. At the local level we observe marked qualitative changes in dynamical patterns, ranging from anti-phase clusters of period 2 cycles and chaotic bands, to fixed points, under the variation of mean μ of the interaction strengths. We also study the correlation between synchronization and survival, and find that synchronization does not necessarily lead to extinction. Lastly, we propose an effective low dimensional map to capture the behavior of the entire network, and this provides a broad understanding of the interplay of the local dynamical patterns and the global robustness trends in the network.

Insight into the Effects of Reinforcement Shape on Achieving Continuous Martensite Transformation in Phase Transforming Matrix Composites

NASA Astrophysics Data System (ADS)

Zhang, Xudong; Ren, Junqiang; Wang, Xiaofei; Zong, Hongxiang; Cui, Lishan; Ding, Xiangdong

2017-12-01

A continuous martensite transformation is indispensable for achieving large linear superelasticity and low modulus in phase transforming metal-based composites. However, determining how to accurately condition the residual martensite in a shape memory alloy matrix though the reinforcement shape to achieve continuous martensite transformation has been a challenge. Here, we take the finite element method to perform a comparative study of the effects of nanoinclusion shape on the interaction and martensite phase transformation in this new composite. Two typical samples are compared: one reinforced by metallic nanowires and the other by nanoparticles. We find that the residual martensite within the shape memory alloy matrix after a pretreatment can be tailored by the reinforcement shape. In particular, our results show that the shape memory alloy matrix can retain enough residual martensite phases to achieve continuous martensite transformation in the subsequent loading when the aspect ratio of nanoreinforcement is larger than 20. In contrast, the composites reinforced with spherical or low aspect ratio reinforcement show a typical nonlinear superelasticity as a result of a low stress transfer-induced discontinuous martensite transformation within the shape memory alloy matrix.

Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samarium like ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla; Beiersdorfer, Peter

2013-05-01

Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2 + 5p2 + 5d2 + 5 s 5 d + 5 s 5 g + 5 p 5 f) - (5 s 5 p + 5 s 5 f + 5 p 5 d + 5 p 5 g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 4f14 Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (COWAN code) to estimate contribution of the 4 f -core-excited states. Trends of excitation energies and oscillator strengths as function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured properti. This research was sponsored by the grant DE-FG02-08ER54951.

Reduction of matrix effects in inductively coupled plasma mass spectrometry by flow injection with an unshielded torch.

PubMed

Gross, Cory T; McIntyre, Sally M; Houk, R S

2009-06-15

Solution samples with matrix concentrations above approximately 0.1% generally present difficulties for analysis by inductively coupled plasma mass spectrometry (ICP-MS) because of cone clogging and matrix effects. Flow injection (FI) is coupled to ICP-MS to reduce deposition from samples such as 1% sodium salts (as NaCl) and seawater (approximately 3% dissolved salts). Surprisingly, matrix effects are also less severe during flow injection, at least for some matrix elements on the particular instrument used. Sodium chloride at 1% Na and undiluted seawater cause only 2 to 29% losses of signal for typical analyte elements. A heavy matrix element (Bi) at 0.1% also induces only approximately 14% loss of analyte signal. However, barium causes a much worse matrix effect, that is, approximately 90% signal loss at 5000 ppm Na. Also, matrix effects during FI are much more severe when a grounded metal shield is inserted between the load coil and the torch, which is the most common mode of operation for the particular ICP-MS device used.

Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

PubMed

Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

2013-07-28

We report development of the multireference configuration interaction (MRCI) method that can use active space scalable to much larger size references than has previously been possible. The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry offers the ability to describe static correlation in a large active space. The present MRCI method provides a critical correction to the DMRG reference by including high-level dynamic correlation through the CI treatment. When the DMRG and MRCI theories are combined (DMRG-MRCI), the full internal contraction of the reference in the MRCI ansatz, including contraction of semi-internal states, plays a central role. However, it is thought to involve formidable complexity because of the presence of the five-particle rank reduced-density matrix (RDM) in the Hamiltonian matrix elements. To address this complexity, we express the Hamiltonian matrix using commutators, which allows the five-particle rank RDM to be canceled out without any approximation. Then we introduce an approximation to the four-particle rank RDM by using a cumulant reconstruction from lower-particle rank RDMs. A computer-aided approach is employed to derive the exceedingly complex equations of the MRCI in tensor-contracted form and to implement them into an efficient parallel computer code. This approach extends to the size-consistency-corrected variants of MRCI, such as the MRCI+Q, MR-ACPF, and MR-AQCC methods. We demonstrate the capability of the DMRG-MRCI method in several benchmark applications, including the evaluation of single-triplet gap of free-base porphyrin using 24 active orbitals.

A Coupled/Uncoupled Computational Scheme for Deformation and Fatigue Damage Analysis of Unidirectional Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.; Saleeb, Atef F.

1997-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum-based fatigue damage model for unidirectional metal-matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress that fully couples the fatigue damage calculations with the finite element deformation solution. Two applications using the fatigue damage algorithm are presented. First, an axisymmetric stress analysis of a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. Second, a micromechanics analysis of a fiber/matrix unit cell using both the finite element method and the generalized method of cells (GMC). Results are presented in the form of S-N curves and damage distribution plots.

The Influence of Non-spectral Matrix Effects on the Accuracy of Isotope Ratio Measurement by MC-ICP-MS

NASA Astrophysics Data System (ADS)

Barling, J.; Shiel, A.; Weis, D.

2006-12-01

Non-spectral interferences in ICP-MS are caused by matrix elements effecting the ionisation and transmission of analyte elements. They are difficult to identify in MC-ICP-MS isotopic data because affected analyses exhibit normal mass dependent isotope fractionation. We have therefore investigated a wide range of matrix elements for both stable and radiogenic isotope systems using a Nu Plasma MC-ICP-MS. Matrix elements commonly enhance analyte sensitivity and change the instrumental mass bias experienced by analyte elements. These responses vary with element and therefore have important ramifications for the correction of data for instrumental mass bias by use of an external element (e.g. Pb and many non-traditional stable isotope systems). For Pb isotope measurements (Tl as mass bias element), Mg, Al, Ca, and Fe were investigated as matrix elements. All produced signal enhancement in Pb and Tl. Signal enhancement varied from session to session but for Ca and Al enhancement in Pb was less than for Tl while for Mg and Fe enhancement levels for Pb and Tl were similar. After correction for instrumental mass fractionation using Tl, Mg effected Pb isotope ratios were heavy (e.g. ^{208}Pb/204Pbmatrix > ^{208}Pb/204Pbtrue) for both moderate and high [Mg] while Ca effected Pb showed little change at moderate [Ca] but were light at high [Ca]. ^{208}Pb/204Pbmatrix - ^{208}Pb/204Pbtrue for all elements ranged from +0.0122 to - 0.0177. Isotopic shifts of similar magnitude are observed between Pb analyses of samples that have seen either one or two passes through chemistry (Nobre Silva et al, 2005). The double pass purified aliquots always show better reproducibility. These studies show that the presence of matrix can have a significant effect on the accuracy and reproducibility of replicate Pb isotope analyses. For non-traditional stable isotope systems (e.g. Mo(Zr), Cd(Ag)), the different responses of analyte and mass bias elements to the presence of matrix can result in del/amu for measured & mass bias corrected data that disagree outside of error. Either or both values can be incorrect. For samples, unlike experiments, the correct del/amu is not known in advance. Therefore, for sample analyses to be considered accurate, both measured and exponentially corrected del/amu should agree.

Matrix metalloproteinase 20-dentin sialophosphoprotein interaction in oral cancer.

PubMed

Saxena, G; Koli, K; de la Garza, J; Ogbureke, K U E

2015-04-01

Matrix metalloproteinase 20 (MMP-20), widely regarded as tooth specific, participates with MMP-2 in processing dentin sialophosphoprotein (DSPP) into dentin sialoprotein, dentin phosphoprotein, and dentin glycoprotein. In biochemical system, MMP-2, MMP-3, and MMP-9 bind with high affinity to, and are activated by, specific small integrin-binding ligand N-linked glycoproteins (SIBLINGs): bone sialoprotein, osteopontin, and dentin matrix protein 1, respectively. Subsequent reports documented possible biological relevance of SIBLING-MMP interaction in vivo by showing that SIBLINGs are always coexpressed with their MMP partners. However, the cognate MMPs for 2 other SIBLINGs-DSPP and matrix extracellular phosphogylcoprotein-are yet to be identified. Our goal was to investigate MMP-20 expression and to explore preliminary evidence of its interaction with DSPP in oral squamous cell carcinomas (OSCCs). Immunohistochemistry analysis of sections from 21 cases of archived human OSCC tissues showed immunoreactivity for MMP-20 in 18 (86%) and coexpression with DSPP in all 15 cases (71%) positive for DSPP. Similarly, 28 (93%) of 30 cases of oral epithelial dysplasia were positive for MMP-20. Western blot and quantitative real-time polymerase chain reaction analysis on OSCC cell lines showed upregulation of MMP-20 protein and mRNA, respectively, while immunofluorescence showed coexpression of MMP-20 and DSPP. Colocalization and potential interaction of MMP-20 with dentin sialoprotein was confirmed by coimmunoprecipitation and mass spectrometry analysis of immunoprecipitation product from OSCC cell lysate, and in situ proximity ligation assays. Significantly, results of chromatin immunoprecipation revealed a 9-fold enrichment of DSPP at MMP-20 promoter-proximal elements. Our data provide evidence that MMP-20 has a wider tissue distribution than previously acknowledged. MMP-20-DSPP specific interaction, excluding other MMP-20-SIBLING pairings, identifies MMP-20 as DSPP cognate MMP. Furthermore, the strong DSPP enrichment at the MMP-20 promoter suggests a regulatory role in MMP-20 transcription. These novel findings provide the foundation to explore the mechanisms and significance of DSPP-MMP-20 interaction in oral carcinogenesis. © International & American Associations for Dental Research 2015.

Evaluation of matrix effect on the determination of rare earth elements and As, Bi, Cd, Pb, Se and In in honey and pollen of native Brazilian bees (Tetragonisca angustula - Jataí) by Q-ICP-MS.

PubMed

de Oliveira, Fernanda Ataide; de Abreu, Adriana Trópia; de Oliveira Nascimento, Nathália; Froes-Silva, Roberta Eliane Santos; Antonini, Yasmine; Nalini, Hermínio Arias; de Lena, Jorge Carvalho

2017-01-01

Bees are considered the main pollinators in natural and agricultural environments. Chemical elements from honey and pollen have been used for monitoring the environment, the health of bees and the quality of their products. Nevertheless, there are not many studies on honey and pollen of native Brazilian bees. The goal of this work was to determine important chemical elements (Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Lu and Yb) along with As, Bi, Cd, Pb, Se and In, in honey and pollen of native Brazilian bees, assessing analytical interferences from the matrix. A proposed analytical method was developed for these elements by quadrupole ICP-MS. Matrix effect was verified in honey matrix in the quantification of As, Bi and Dy; and in pollen matrix for Bi, Cd, Ce, Gd, La, Pb and Sc. The quality of the method was considered satisfactory taking into consideration the recovery rate of each element in the spiked solutions: honey matrix (91.6-103.9%) and pollen matrix (94.1-115.6%). The quantification limits of the method ranged between 0.00041 and 10.3μgL -1 for honey and 0.00041-0.095μgL -1 for pollen. The results demonstrate that the method is accurate, precise and suitable. Copyright © 2016 Elsevier B.V. All rights reserved.

Structural Modeling of a Five-Meter Thin Film Inflatable Antenna/Concentrator With Rigidized Support Struts

NASA Technical Reports Server (NTRS)

Smalley, Kurt B.; Tinker, Michael L.

2001-01-01

Dynamic characterization of a non-rigidized thin film inflatable antenna/solar concentrator structure with rigidized composite support struts is described in detail. A two-step finite element modeling approach in MSC/NASTRAN is utilized, consisting of: (1) a nonlinear static pressurization procedure used to obtain the updated stiffness matrix, and (2) a modal "restart" eigen solution that uses the modified stiffness matrix. Unique problems encountered in modeling of this large 5-m lightweight inflatable are identified, including considerable difficulty in obtaining convergence in the nonlinear pressurization solution. It was found that the extremely thin polyimide film material (.001 in or I mil) presents tremendous problems in obtaining a converged solution when internal pressure loading is applied. It was concluded that the ratios of film thickness to other geometric dimensions such as torus cross-sectional and ring diameter and lenticular diameter are the critical parameters for convergence of the pressurization procedure. Comparison of finite element predictions for frequency and mode shapes with experimental results indicated reasonable agreement considering the complexity of the structure, the film-to-air interaction, and the nonlinear material properties of the film. It was also concluded that analysis should be done using different finite element to codes to determine if a more robust and stable solution can be obtained.

Preconditioned MoM Solutions for Complex Planar Arrays

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

Fasenfest, B J; Jackson, D; Champagne, N

2004-01-23

The numerical analysis of large arrays is a complex problem. There are several techniques currently under development in this area. One such technique is the FAIM (Faster Adaptive Integral Method). This method uses a modification of the standard AIM approach which takes into account the reusability properties of matrices that arise from identical array elements. If the array consists of planar conducting bodies, the array elements are meshed using standard subdomain basis functions, such as the RWG basis. These bases are then projected onto a regular grid of interpolating polynomials. This grid can then be used in a 2D ormore » 3D FFT to accelerate the matrix-vector product used in an iterative solver. The method has been proven to greatly reduce solve time by speeding the matrix-vector product computation. The FAIM approach also reduces fill time and memory requirements, since only the near element interactions need to be calculated exactly. The present work extends FAIM by modifying it to allow for layered material Green's Functions and dielectrics. In addition, a preconditioner is implemented to greatly reduce the number of iterations required for a solution. The general scheme of the FAIM method is reported in; this contribution is limited to presenting new results.« less

Using a multifrontal sparse solver in a high performance, finite element code

NASA Technical Reports Server (NTRS)

King, Scott D.; Lucas, Robert; Raefsky, Arthur

1990-01-01

We consider the performance of the finite element method on a vector supercomputer. The computationally intensive parts of the finite element method are typically the individual element forms and the solution of the global stiffness matrix both of which are vectorized in high performance codes. To further increase throughput, new algorithms are needed. We compare a multifrontal sparse solver to a traditional skyline solver in a finite element code on a vector supercomputer. The multifrontal solver uses the Multiple-Minimum Degree reordering heuristic to reduce the number of operations required to factor a sparse matrix and full matrix computational kernels (e.g., BLAS3) to enhance vector performance. The net result in an order-of-magnitude reduction in run time for a finite element application on one processor of a Cray X-MP.

Specific interaction of mutant p53 with regions of matrix attachment region DNA elements (MARs) with a high potential for base-unpairing

PubMed Central

Will, Katrin; Warnecke, Gabriele; Wiesmüller, Lisa; Deppert, Wolfgang

1998-01-01

Mutant, but not wild-type p53 binds with high affinity to a variety of MAR-DNA elements (MARs), suggesting that MAR-binding of mutant p53 relates to the dominant-oncogenic activities proposed for mutant p53. MARs recognized by mutant p53 share AT richness and contain variations of an AATATATTT “DNA-unwinding motif,” which enhances the structural dynamics of chromatin and promotes regional DNA base-unpairing. Mutant p53 specifically interacted with MAR-derived oligonucleotides carrying such unwinding motifs, catalyzing DNA strand separation when this motif was located within a structurally labile sequence environment. Addition of GC-clamps to the respective MAR-oligonucleotides or introducing mutations into the unwinding motif strongly reduced DNA strand separation, but supported the formation of tight complexes between mutant p53 and such oligonucleotides. We conclude that the specific interaction of mutant p53 with regions of MAR-DNA with a high potential for base-unpairing provides the basis for the high-affinity binding of mutant p53 to MAR-DNA. PMID:9811860

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.

[Determination of 235U/238U isotope ratios in camphor tree bark samples by MC-ICP-MS after separation of uranium from matrix elements].

PubMed

Wang, Xiao-Ping; Zhang, Ji-Long

2007-07-01

Twelve camphor (cinnamomum camphora) tree bark samples were collected from Hiroshima and Kyoto, and the matrix element composition and morphology of the outer surface of these camphor tree bark samples were studied by EDXS and SEM respectively. After a dry decomposition, DOWEX 1-X8 anion exchange resin was used to separate uranium from matrix elements in these camphor tree bark samples. Finally, 235U/238 U isotope ratios in purified uranium solutions were determined by MC-ICP-MS. It was demonstrated that the outer surface of these camphor tree bark samples is porous and rough, with Al, Ca, Fe, K, Mg, Si, C, O and S as its matrix element composition. Uranium in these camphor tree bark samples can be efficiently separated and quantitatively recovered from the matrix element composition. Compared with those collected from Kyoto, the camphor tree bark samples collected from Hiroshima have significantly higher uranium contents, which may be due to the increased aerosol mass concentration during the city reconstruction. Moreover, the 235 U/23.U isotope ratios in a few camphor tree bark samples collected from Hiroshima are slightly higher than 0.007 25.

Dimension-six matrix elements for meson mixing and lifetimes from sum rules

NASA Astrophysics Data System (ADS)

Kirk, M.; Lenz, A.; Rauh, T.

2017-12-01

The hadronic matrix elements of dimension-six Δ F = 0, 2 operators are crucial inputs for the theory predictions of mixing observables and lifetime ratios in the B and D system. We determine them using HQET sum rules for three-point correlators. The results of the required three-loop computation of the correlators and the one-loop computation of the QCD-HQET matching are given in analytic form. For mixing matrix elements we find very good agreement with recent lattice results and comparable theoretical uncertainties. For lifetime matrix elements we present the first ever determination in the D meson sector and the first determination of Δ B = 0 matrix elements with uncertainties under control — superseeding preliminary lattice studies stemming from 2001 and earlier. With our state-of-the-art determination of the bag parameters we predict: τ( B +)/ τ( B d 0 ) = 1.082 - 0.026 + 0.022 , τ( B s 0 )/ τ( B d 0 ) = 0.9994 ± 0.0025, τ( D +)/ τ( D 0) = 2. 7 - 0.8 + 0.7 and the mixing-observables in the B s and B d system, in good agreement with the most recent experimental averages.

Albedo in the ATIC Experiment

NASA Technical Reports Server (NTRS)

Sokolskaya, N. V.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Batkov, K. E.; Case, G.; Christl, M.; Chang, J.; Fazely, A. R.; Ganel, O.;

Lattice QCD spectroscopy for hadronic CP violation

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

de Vries, Jordy; Mereghetti, Emanuele; Seng, Chien -Yeah

Here, the interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion–nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion–nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion–nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion–nucleon couplings to nucleon sigma terms andmore » mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.« less

Intralaminar and Interlaminar Progressive Failure Analysis of Composite Panels with Circular Cutouts

NASA Technical Reports Server (NTRS)

Goyal, Vinay K.; Jaunky, Navin; Johnson, Eric R.; Ambur, Damodar

2002-01-01

A progressive failure methodology is developed and demonstrated to simulate the initiation and material degradation of a laminated panel due to intralaminar and interlaminar failures. Initiation of intralaminar failure can be by a matrix-cracking mode, a fiber-matrix shear mode, and a fiber failure mode. Subsequent material degradation is modeled using damage parameters for each mode to selectively reduce lamina material properties. The interlaminar failure mechanism such as delamination is simulated by positioning interface elements between adjacent sublaminates. A nonlinear constitutive law is postulated for the interface element that accounts for a multi-axial stress criteria to detect the initiation of delamination, a mixed-mode fracture criteria for delamination progression, and a damage parameter to prevent restoration of a previous cohesive state. The methodology is validated using experimental data available in the literature on the response and failure of quasi-isotropic panels with centrally located circular cutouts loaded into the postbuckling regime. Very good agreement between the progressive failure analyses and the experimental results is achieved if the failure analyses includes the interaction of intralaminar and interlaminar failures.

Quantum Monte Carlo calculations of weak transitions in A = 6 – 10 nuclei

DOE PAGES

Pastore, S.; Baroni, A.; Carlson, J.; ...

2018-02-26

{\\it Ab initio} calculations of the Gamow-Teller (GT) matrix elements in themore » $$\\beta$$ decays of $^6$He and $$^{10}$$C and electron captures in $^7$Be are carried out using both variational and Green's function Monte Carlo wave functions obtained from the Argonne $$v_{18}$$ two-nucleon and Illinois-7 three-nucleon interactions, and axial many-body currents derived from either meson-exchange phenomenology or chiral effective field theory. The agreement with experimental data is excellent for the electron captures in $^7$Be, while theory overestimates the $^6$He and $$^{10}$$C data by $$\\sim 2\\%$$ and $$\\sim 10\\%$$, respectively. We show that for these systems correlations in the nuclear wave functions are crucial to explain the data, while many-body currents increase by $$\\sim 2$$--$$3\\%$$ the one-body GT contributions. These findings suggest that the longstanding $$g_A$$-problem, {\\it i.e.}, the systematic overprediction ($$\\sim 20 \\%$$ in $$A\\le 18$$ nuclei) of GT matrix elements in shell-model calculations, may be resolved, at least partially, by correlation effects.« less

Lattice QCD spectroscopy for hadronic CP violation

DOE PAGES

de Vries, Jordy; Mereghetti, Emanuele; Seng, Chien -Yeah; ...

2017-01-16

Here, the interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion–nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion–nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion–nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion–nucleon couplings to nucleon sigma terms andmore » mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.« less

Transient expression of collagen type II at epitheliomesenchymal interfaces during morphogenesis of the cartilaginous neurocranium.

PubMed

Thorogood, P; Bee, J; von der Mark, K

1986-08-01

In the avian embryo a matrix-mediated tissue interaction between retinal pigmented epithelium and neural crest-derived periocular mesenchyme leads to the differentiation of (scleral) cartilage. The composition of the extracellular matrix at the interface between these two tissues has been examined immunohistochemically, both during and after the interaction has taken place. Of the matrix components studied (fibronectin, laminin, and collagen types I, II, IV, and V) only collagen type II displayed a dramatic change in distribution between the two stages. During the interaction, at stage 15, type II was present in the extracellular compartment basal to the epithelium. After completion of the interaction, collagen type II was no longer detectable at the interface even though it was readily detectable in the vitreous humor, cornea, and perinotochordal sheath, and subsequently will be expressed by the chondrogenic tissue itself as overt differentiation commences. These results suggest that collagen type II might be causally involved in this particular epitheliomesenchymal interaction. Examination of the spatial and temporal patterns of collagen type II expression elsewhere in the developing craniofacial complex revealed a hitherto unreported pattern of distribution. In addition to its predictable locations (i.e., cornea, vitreous, and perinotochordal sheath) it was found to be present at certain other sites, for example, at the basal surfaces of some neuroepithelia. These additional locations are all known to be sites of chondrogenesis-promoting tissue interactions which result in the formation of the elements of the cartilaginous neurocranium (e.g., otic vesicle). Furthermore this spatial distribution exhibits a changing temporal pattern in that it is detectable at the time that the interactions are known to be taking place, but subsequently is no longer detectable by the immunohistochemical means employed. This definable pattern of transient collagen type II expression, occurring at very early stages of craniofacial development, is interpreted as reflecting one level of morphogenetic specification of chondrocranial/skull form in the developing vertebrate head.

High order Nyström method for elastodynamic scattering

NASA Astrophysics Data System (ADS)

Chen, Kun; Gurrala, Praveen; Song, Jiming; Roberts, Ron

2016-02-01

Elastic waves in solids find important applications in ultrasonic non-destructive evaluation. The scattering of elastic waves has been treated using many approaches like the finite element method, boundary element method and Kirchhoff approximation. In this work, we propose a novel accurate and efficient high order Nyström method to solve the boundary integral equations for elastodynamic scattering problems. This approach employs high order geometry description for the element, and high order interpolation for fields inside each element. Compared with the boundary element method, this approach makes the choice of the nodes for interpolation based on the Gaussian quadrature, which renders matrix elements for far field interaction free from integration, and also greatly simplifies the process for singularity and near singularity treatment. The proposed approach employs a novel efficient near singularity treatment that makes the solver able to handle extreme geometries like very thin penny-shaped crack. Numerical results are presented to validate the approach. By using the frequency domain response and performing the inverse Fourier transform, we also report the time domain response of flaw scattering.

Calculation of Collisional Cross Sections for the 2P3/2 - 2P1/2 Transition in Alkali-Noble Gas Systems

DTIC Science & Technology

2010-03-01

matrix elements. From scattering matrix elements for several different effective potential values and using the Method of Partial Waves[7], the...scattering matrix elements. Through the Method of Par- tial Waves[7], the procedure was repeated for several different effective potentials. The...section calculations. It is important to note that lmax may differ for σel and σi→f . This method may only be used if both σi→f and σel have

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

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

Savage, Martin; Shanahan, Phiala E.; Tiburzi, Brian C.

2016-12-01

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections andmore » $$\\beta\\beta$$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $$g_A$$ that is required in nuclear many-body calculations.« less

Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates

NASA Astrophysics Data System (ADS)

Protasevich, Alexander E.; Nikitin, Andrei V.

2018-01-01

In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full symmetry of molecules. Unlike A.V. Nikitin, M. Rey, and Vl. G. Tyuterev who operate with the kinetic energy operator only in Radau orthogonal coordinates, we consider a general case. The matrix elements are shown to be a sum of products of one-dimensional integrals.

Magneto-elastic modeling of composites containing chain-structured magnetostrictive particles

NASA Astrophysics Data System (ADS)

Yin, H. M.; Sun, L. Z.; Chen, J. S.

2006-05-01

Magneto-elastic behavior is investigated for two-phase composites containing chain-structured magnetostrictive particles under both magnetic and mechanical loading. To derive the local magnetic and elastic fields, three modified Green's functions are derived and explicitly integrated for the infinite domain containing a spherical inclusion with a prescribed magnetization, body force, and eigenstrain. A representative volume element containing a chain of infinite particles is introduced to solve averaged magnetic and elastic fields in the particles and the matrix. Effective magnetostriction of composites is derived by considering the particle's magnetostriction and the magnetic interaction force. It is shown that there exists an optimal choice of the Young's modulus of the matrix and the volume fraction of the particles to achieve the maximum effective magnetostriction. A transversely isotropic effective elasticity is derived at the infinitesimal deformation. Disregarding the interaction term, this model provides the same effective elasticity as Mori-Tanaka's model. Comparisons of model results with the experimental data and other models show the efficacy of the model and suggest that the particle interactions have a considerable effect on the effective magneto-elastic properties of composites even for a low particle volume fraction.

Modeling of Propagation of Interacting Cracks Under Hydraulic Pressure Gradient

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

Huang, Hai; Mattson, Earl Douglas; Podgorney, Robert Karl

A robust and reliable numerical model for fracture initiation and propagation, which includes the interactions among propagating fractures and the coupling between deformation, fracturing and fluid flow in fracture apertures and in the permeable rock matrix, would be an important tool for developing a better understanding of fracturing behaviors of crystalline brittle rocks driven by thermal and (or) hydraulic pressure gradients. In this paper, we present a physics-based hydraulic fracturing simulator based on coupling a quasi-static discrete element model (DEM) for deformation and fracturing with conjugate lattice network flow model for fluid flow in both fractures and porous matrix. Fracturingmore » is represented explicitly by removing broken bonds from the network to represent microcracks. Initiation of new microfractures and growth and coalescence of the microcracks leads to the formation of macroscopic fractures when external and/or internal loads are applied. The coupled DEM-network flow model reproduces realistic growth pattern of hydraulic fractures. In particular, simulation results of perforated horizontal wellbore clearly demonstrate that elastic interactions among multiple propagating fractures, fluid viscosity, strong coupling between fluid pressure fluctuations within fractures and fracturing, and lower length scale heterogeneities, collectively lead to complicated fracturing patterns.« less

Development of phase analysis methods of impurity elements in alloys based on iron and nickel

NASA Astrophysics Data System (ADS)

Andreeva, N. A.; Anuchkin, S. N.; Volchenkova, V. A.; Kazenas, E. K.; Penkina, T. N.; Fomina, A. A.

2018-04-01

Using the method of AES with ICP, new methods have been developed for quantifying the content of various forms of existence of impurity elements: Al-Al2O3; Zr-ZrO2 in alloys based on iron (Fe-Sn) and nickel (Ni-Sn). Open systems were used to dissolve Al and Zr. To translate difficult-to-open aluminum oxides (corundum) and zirconium oxide (baddeleyite) into the solution, accelerated techniques were developed using the microwave system Mars 5. To confirm the completeness of the dissolution of oxides, a classical scheme of alloy fusion with alkali metal salts was used. Optimal analytical parameters for determining the elements: Al and Zr were chosen. The influence of matrix elements (iron and nickel) and methods of its elimination were studied. This made it possible to determine the elements in a wide concentration range from 1 • 10-3 to n% Al and from 1 • 10-4 to n% Zr without preliminary separation of the matrix with good metrological characteristics. The relative standard deviation (Sr) does not exceed 0,2. The separate determination of the contents of aluminum and aluminium oxide in the model melt of Fe-Sn-Al2O3 and zirconium and zirconium oxide in the Ni-Sn-ZrO2 model melt allowed us to estimate the number of nanoparticles participating in the heterophase interaction with tin and retired to the interface in the form of ensembles and the number of nanoparticles present in the melt and affecting the crystallization process and the structure of the metal.

Photomask CD and LER characterization using Mueller matrix spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Heinrich, A.; Dirnstorfer, I.; Bischoff, J.; Meiner, K.; Ketelsen, H.; Richter, U.; Mikolajick, T.

2014-10-01

Critical dimension and line edge roughness on photomask arrays are determined with Mueller matrix spectroscopic ellipsometry. Arrays with large sinusoidal perturbations are measured for different azimuth angels and compared with simulations based on rigorous coupled wave analysis. Experiment and simulation show that line edge roughness leads to characteristic changes in the different Mueller matrix elements. The influence of line edge roughness is interpreted as an increase of isotropic character of the sample. The changes in the Mueller matrix elements are very similar when the arrays are statistically perturbed with rms roughness values in the nanometer range suggesting that the results on the sinusoidal test structures are also relevant for "real" mask errors. Critical dimension errors and line edge roughness have similar impact on the SE MM measurement. To distinguish between both deviations, a strategy based on the calculation of sensitivities and correlation coefficients for all Mueller matrix elements is shown. The Mueller matrix elements M13/M31 and M34/M43 are the most suitable elements due to their high sensitivities to critical dimension errors and line edge roughness and, at the same time, to a low correlation coefficient between both influences. From the simulated sensitivities, it is estimated that the measurement accuracy has to be in the order of 0.01 and 0.001 for the detection of 1 nm critical dimension error and 1 nm line edge roughness, respectively.

$$B^0_{(s)}$$-mixing matrix elements from lattice QCD for the Standard Model and beyond

DOE PAGES

Bazavov, A.; Bernard, C.; Bouchard, C. M.; ...

2016-06-28

We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B 0- and B s-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where themore » second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |V td| = 8.00(34)(8)×10 -3, |V ts| = 39.0(1.2)(0.4)×10 -3, and |V td/V ts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

ERIC Educational Resources Information Center

Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

2011-01-01

A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

Relativistic, model-independent, multichannel 2 → 2 transition amplitudes in a finite volume

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.

2016-07-13

We derive formalism for determining 2 + J → 2 infinite-volume transition amplitudes from finite-volume matrix elements. Specifically, we present a relativistic, model-independent relation between finite-volume matrix elements of external currents and the physically observable infinite-volume matrix elements involving two-particle asymptotic states. The result presented holds for states composed of two scalar bosons. These can be identical or non-identical and, in the latter case, can be either degenerate or non-degenerate. We further accommodate any number of strongly-coupled two-scalar channels. This formalism will, for example, allow future lattice QCD calculations of themore » $$\\rho$$-meson form factor, in which the unstable nature of the $$\\rho$$ is rigorously accommodated. In conclusion, we also discuss how this work will impact future extractions of nuclear parity and hadronic long-range matrix elements from lattice QCD.« less

Partial restoration of isospin symmetry for neutrinoless double β decay in the deformed nuclear system of 150Nd

NASA Astrophysics Data System (ADS)

Fang, Dong-Liang; Faessler, Amand; Simkovic, Fedor

2015-10-01

In this work, we calculate the matrix elements for the 0 ν β β decay of 150Nd using the deformed quasiparticle random-phase approximation (p n -QRPA) method. We adopted the approach introduced by Rodin and Faessler [Phys. Rev. C 84, 014322 (2011), 10.1103/PhysRevC.84.014322] and Simkovic et al. [Phys. Rev. C 87, 045501 (2013), 10.1103/PhysRevC.87.045501] to restore the isospin symmetry by enforcing MF2 ν=0 . We found that with this restoration, the Fermi matrix elements are reduced in the strongly deformed 150Nd by about 15 to 20%, while the more important Gamow-Teller matrix elements remain the same. The results of an enlarged model space are also presented. This enlargement increases the total (Fermi plus Gamow-Teller) matrix elements by less than 10%.

Electron-phonon effects in graphene and an armchair (10,10) single-wall carbon nanotube

NASA Astrophysics Data System (ADS)

Woods, Lilia Milcheva Rapatinska

New effects due to the electron-phonon interaction in some low-dimensional tight-binding systems are discussed. A sheet of graphite (two-dimensional) and an armchair single wall carbon nanotube (SWNT) (quasi-one dimensional) are taken as examples. The geometrical structure and the linear dispersion of the energy with respect to the electron wave vector are expected to play a significant role. For the ordinary electron-phonon coupling which includes modulated hopping and linear electron-phonon interaction the matrix elements for both systems are derived in the context of a two parameter model for the phonon vibrational spectrum. It is found that they (for both structures) strongly depend on the geometry, display a deformation type of potential and are reduced by a factor of (1 - R), where R depends uniquely on the introduced phonon parameters. Next a new type of interaction is derived; it arises from the phonon modulation of the electron-electron interaction. After writing the matrix elements for the new Hamiltonian, the problem is considered in the context of many body physics. There are two contributions. One of them is the random phase approximation with one phonon line. The electron self-energy for it is calculated. It is shown that one might expect that this is not a large effect. Analytical expressions are obtained for the armchair single wall carbon nanotube. The exchange interaction in the one-phonon approximation is another term that arises and is also considered. One is able to write four new Feynman diagrams and derive an expression for -ImSk⃗ . The contribution from this type of coupling could be large and comparable to the one from the modulated hopping. These results are supported by numerical estimates of some characteristics of graphene and SWNT. The values of the electron-phonon coupling constant, lambda, and the electron lifetime, tau, are compared between the traditional electron-phonon interaction and the phonon modulated electron-electron interaction. Finally, for a perfect (defect-free) arm chair SWNT the diffusion thermopower and the phonon drag thermopower should be zero because of the complete symmetry of the energy bands of the system.

Enhancer of rudimentary homologue interacts with scaffold attachment factor B at the nuclear matrix to regulate SR protein phosphorylation.

PubMed

Drakouli, Sotiria; Lyberopoulou, Aggeliki; Papathanassiou, Maria; Mylonis, Ilias; Georgatsou, Eleni

2017-08-01

Scaffold attachment factor B1 (SAFB1) is an integral component of the nuclear matrix of vertebrate cells. It binds to DNA on scaffold/matrix attachment region elements, as well as to RNA and a multitude of different proteins, affecting basic cellular activities such as transcription, splicing and DNA damage repair. In the present study, we show that enhancer of rudimentary homologue (ERH) is a new molecular partner of SAFB1 and its 70% homologous paralogue, scaffold attachment factor B2 (SAFB2). ERH interacts directly in the nucleus with the C-terminal Arg-Gly-rich region of SAFB1/2 and co-localizes with it in the insoluble nuclear fraction. ERH, a small ubiquitous protein with striking homology among species and a unique structure, has also been implicated in fundamental cellular mechanisms. Our functional analyses suggest that the SAFB/ERH interaction does not affect SAFB1/2 function in transcription (e.g. as oestrogen receptor α co-repressors), although it reverses the inhibition exerted by SAFB1/2 on the splicing kinase SR protein kinase 1 (SRPK1), which also binds on the C-terminus of SAFB1/2. Accordingly, ERH silencing decreases lamin B receptor and SR protein phosphorylation, which are major SRPK1 substrates, further substantiating the role of SAFB1 and SAFB2 in the co-ordination of nuclear function. © 2017 Federation of European Biochemical Societies.

Electron capture in collisions of N^+ with H and H^+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2004-05-01

Charge transfer processes due to collisions of N^+ with atomic hydrogen and H^+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potential curves and nonadiabatic radial and rotational coupling matrix elements obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1-500 eV/u will be presented and compared with existing experimental and theoretical data.

UpSet: Visualization of Intersecting Sets

PubMed Central

Lex, Alexander; Gehlenborg, Nils; Strobelt, Hendrik; Vuillemot, Romain; Pfister, Hanspeter

2016-01-01

Understanding relationships between sets is an important analysis task that has received widespread attention in the visualization community. The major challenge in this context is the combinatorial explosion of the number of set intersections if the number of sets exceeds a trivial threshold. In this paper we introduce UpSet, a novel visualization technique for the quantitative analysis of sets, their intersections, and aggregates of intersections. UpSet is focused on creating task-driven aggregates, communicating the size and properties of aggregates and intersections, and a duality between the visualization of the elements in a dataset and their set membership. UpSet visualizes set intersections in a matrix layout and introduces aggregates based on groupings and queries. The matrix layout enables the effective representation of associated data, such as the number of elements in the aggregates and intersections, as well as additional summary statistics derived from subset or element attributes. Sorting according to various measures enables a task-driven analysis of relevant intersections and aggregates. The elements represented in the sets and their associated attributes are visualized in a separate view. Queries based on containment in specific intersections, aggregates or driven by attribute filters are propagated between both views. We also introduce several advanced visual encodings and interaction methods to overcome the problems of varying scales and to address scalability. UpSet is web-based and open source. We demonstrate its general utility in multiple use cases from various domains. PMID:26356912

Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

NASA Astrophysics Data System (ADS)

Chen, Zhenhua; Chen, Xun; Wu, Wei

2013-04-01

In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

Iron as a Detector for Neutrinos from Collapsing Stars

NASA Astrophysics Data System (ADS)

Ryazhskaya, O. G.; Semenov, S. V.

2018-03-01

The interaction of the flux of electron neutrinos arising owing to the effect of the rotationalcollapse mechanism at the first stage of supernova burst with LSD components, such as 56Fe (a large amount of this metal is contained in LSD as a shielding material) and C n H2 n+2 liquid scintillator, is investigated. Both charged and neutral channels of neutrino interaction with 12C and 56Fe are considered. Experimental data that make it possible to extract information necessary for calculating nuclear matrix elements appearing in the expression for the interaction cross section are used. The number of signals generated in LSD by the neutrino pulse from the Supernova 1987A is determined. The results of this study are in good agreement with experimental data.

Research on bandgaps in two-dimensional phononic crystal with two resonators.

PubMed

Gao, Nansha; Wu, Jiu Hui; Yu, Lie

2015-02-01

In this paper, the bandgap properties of a two-dimensional phononic crystal with the two resonators is studied and embedded in a homogenous matrix. The resonators are not connected with the matrix but linked with connectors directly. The dispersion relationship, transmission spectra, and displacement fields of the eigenmodes of this phononic crystal are studied with finite-element method. In contrast to the phononic crystals with one resonators and hollow structure, the proposed structures with two resonators can open bandgaps at lower frequencies. This is a very interesting and useful phenomenon. Results show that, the opening of the bandgaps is because of the local resonance and the scattering interaction between two resonators and matrix. An equivalent spring-pendulum model can be developed in order to evaluate the frequencies of the bandgap edge. The study in this paper is beneficial to the design of opening and tuning bandgaps in phononic crystals and isolators in low-frequency range. Copyright © 2014 Elsevier B.V. All rights reserved.

Coherent Patterns in Nuclei and in Financial Markets

NASA Astrophysics Data System (ADS)

DroŻdŻ, S.; Kwapień, J.; Speth, J.

2010-07-01

In the area of traditional physics the atomic nucleus belongs to the most complex systems. It involves essentially all elements that characterize complexity including the most distinctive one whose essence is a permanent coexistence of coherent patterns and of randomness. From a more interdisciplinary perspective, these are the financial markets that represent an extreme complexity. Here, based on the matrix formalism, we set some parallels between several characteristics of complexity in the above two systems. We, in particular, refer to the concept—historically originating from nuclear physics considerations—of the random matrix theory and demonstrate its utility in quantifying characteristics of the coexistence of chaos and collectivity also for the financial markets. In this later case we show examples that illustrate mapping of the matrix formulation into the concepts originating from the graph theory. Finally, attention is drawn to some novel aspects of the financial coherence which opens room for speculation if analogous effects can be detected in the atomic nuclei or in other strongly interacting Fermi systems.

Texture zeros and hierarchical masses from flavour (mis)alignment

NASA Astrophysics Data System (ADS)

Hollik, W. G.; Saldana-Salazar, U. J.

2018-03-01

We introduce an unconventional interpretation of the fermion mass matrix elements. As the full rotational freedom of the gauge-kinetic terms renders a set of infinite bases called weak bases, basis-dependent structures as mass matrices are unphysical. Matrix invariants, on the other hand, provide a set of basis-independent objects which are of more relevance. We employ one of these invariants to give a new parametrisation of the mass matrices. By virtue of it, one gains control over its implicit implications on several mass matrix structures. The key element is the trace invariant which resembles the equation of a hypersphere with a radius equal to the Frobenius norm of the mass matrix. With the concepts of alignment or misalignment we can identify texture zeros with certain alignments whereas Froggatt-Nielsen structures in the matrix elements are governed by misalignment. This method allows further insights of traditional approaches to the underlying flavour geometry.

Dynamic interactions between cells and their extracellular matrix mediate embryonic development.

PubMed

Goody, Michelle F; Henry, Clarissa A

2010-06-01

Cells and their surrounding extracellular matrix microenvironment interact throughout all stages of life. Understanding the continuously changing scope of cell-matrix interactions in vivo is crucial to garner insights into both congenital birth defects and disease progression. A current challenge in the field of developmental biology is to adapt in vitro tools and rapidly evolving imaging technology to study cell-matrix interactions in a complex 4-D environment. In this review, we highlight the dynamic modulation of cell-matrix interactions during development. We propose that individual cell-matrix adhesion proteins are best considered as complex proteins that can play multiple, often seemingly contradictory roles, depending upon the context of the microenvironment. In addition, cell-matrix proteins can also exert different short versus long term effects. It is thus important to consider cell behavior in light of the microenvironment because of the constant and dynamic reciprocal interactions occurring between them. Finally, we suggest that analysis of cell-matrix interactions at multiple levels (molecules, cells, tissues) in vivo is critical for an integrated understanding because different information can be acquired from all size scales. Copyright 2010 Wiley-Liss, Inc.

Hydrophilic polyurethane matrix promotes chondrogenesis of mesenchymal stem cells☆

PubMed Central

Nalluri, Sandeep M.; Krishnan, G. Rajesh; Cheah, Calvin; Arzumand, Ayesha; Yuan, Yuan; Richardson, Caley A.; Yang, Shuying; Sarkar, Debanjan

2016-01-01

Segmental polyurethanes exhibit biphasic morphology and can control cell fate by providing distinct matrix guided signals to increase the chondrogenic potential of mesenchymal stem cells (MSCs). Polyethylene glycol (PEG) based hydrophilic polyurethanes can deliver differential signals to MSCs through their matrix phases where hard segments are cell-interactive domains and PEG based soft segments are minimally interactive with cells. These coordinated communications can modulate cell–matrix interactions to control cell shape and size for chondrogenesis. Biphasic character and hydrophilicity of polyurethanes with gel like architecture provide a synthetic matrix conducive for chondrogenesis of MSCs, as evidenced by deposition of cartilage-associated extracellular matrix. Compared to monophasic hydrogels, presence of cell interactive domains in hydrophilic polyurethanes gels can balance cell–cell and cell–matrix interactions. These results demonstrate the correlation between lineage commitment and the changes in cell shape, cell–matrix interaction, and cell–cell adhesion during chondrogenic differentiation which is regulated by polyurethane phase morphology, and thus, represent hydrophilic polyurethanes as promising synthetic matrices for cartilage regeneration. PMID:26046282

Nuclear physics from Lattice QCD

NASA Astrophysics Data System (ADS)

Shanahan, Phiala

2017-09-01

I will discuss the current state and future scope of numerical Lattice Quantum Chromodynamics (LQCD) calculations of nuclear matrix elements. The goal of the program is to provide direct QCD calculations of nuclear observables relevant to experimental programs, including double-beta decay matrix elements, nuclear corrections to axial matrix elements relevant to long-baseline neutrino experiments and nuclear sigma terms needed for theory predictions of dark matter cross-sections at underground detectors. I will discuss the progress and challenges on these fronts, and also address recent work constraining a gluonic analogue of the EMC effect, which will be measurable at a future electron-ion collider.

On the Feynman-Hellmann theorem in quantum field theory and the calculation of matrix elements

DOE PAGES

Bouchard, Chris; Chang, Chia Cheng; Kurth, Thorsten; ...

2017-07-12

In this paper, the Feynman-Hellmann theorem can be derived from the long Euclidean-time limit of correlation functions determined with functional derivatives of the partition function. Using this insight, we fully develop an improved method for computing matrix elements of external currents utilizing only two-point correlation functions. Our method applies to matrix elements of any external bilinear current, including nonzero momentum transfer, flavor-changing, and two or more current insertion matrix elements. The ability to identify and control all the systematic uncertainties in the analysis of the correlation functions stems from the unique time dependence of the ground-state matrix elements and the fact that all excited states and contact terms are Euclidean-time dependent. We demonstrate the utility of our method with a calculation of the nucleon axial charge using gradient-flowed domain-wall valence quarks on themore » $$N_f=2+1+1$$ MILC highly improved staggered quark ensemble with lattice spacing and pion mass of approximately 0.15 fm and 310 MeV respectively. We show full control over excited-state systematics with the new method and obtain a value of $$g_A = 1.213(26)$$ with a quark-mass-dependent renormalization coefficient.« less

Eikonal Scattering in the sdg Interacting Boson Model:. Analytical Results in the SUsdg(3) Limit and Their Generalizations

NASA Astrophysics Data System (ADS)

Kota, V. K. B.

General expression for the representation matrix elements in the SUsdg(3) limit of the sdg interacting boson model (sdgIBM) is derived that determine the scattering amplitude in the eikonal approximation for medium energy proton-nucleus scattering when the target nucleus is deformed and it is described by the SUsdg(3) limit. The SUsdg(3) result is generalized to two important situations: (i) when the target nucleus ground band states are described as states arising out of angular momentum projection from a general single Kπ = 0+ intrinsic state in sdg space; (ii) for rotational bands built on one-phonon excitations in sdgIBM.

Decoherence dynamics of interacting qubits coupled to a bath of local optical phonons

NASA Astrophysics Data System (ADS)

Lone, Muzaffar Qadir; Yarlagadda, S.

2016-04-01

We study decoherence in an interacting qubit system described by infinite range Heisenberg model (IRHM) in a situation where the system is coupled to a bath of local optical phonons. Using perturbation theory in polaron frame of reference, we derive an effective Hamiltonian that is valid in the regime of strong spin-phonon coupling under nonadiabatic conditions. It is shown that the effective Hamiltonian commutes with the IRHM upto leading orders of perturbation and thus has the same eigenstates as the IRHM. Using a quantum master equation with Markovian approximation of dynamical evolution, we show that the off-diagonal elements of the density matrix do not decay in the energy eigen basis of IRHM.

Family nonuniversal Z' models with protected flavor-changing interactions

NASA Astrophysics Data System (ADS)

Celis, Alejandro; Fuentes-Martín, Javier; Jung, Martin; Serôdio, Hugo

2015-07-01

We define a new class of Z' models with neutral flavor-changing interactions at tree level in the down-quark sector. They are related in an exact way to elements of the quark mixing matrix due to an underlying flavored U(1)' gauge symmetry, rendering these models particularly predictive. The same symmetry implies lepton-flavor nonuniversal couplings, fully determined by the gauge structure of the model. Our models allow us to address presently observed deviations from the standard model and specific correlations among the new physics contributions to the Wilson coefficients C9,10' ℓ can be tested in b →s ℓ+ℓ- transitions. We furthermore predict lepton-universality violations in Z' decays, testable at the LHC.

Method of determining lanthanidies in a transition element host

DOEpatents

De Kalb, Edward L.; Fassel, Velmer A.

1976-02-03

A phosphor composition contains a lanthanide activator element within a host matrix having a transition element as a major component. The host matrix is composed of certain rare earth phosphates or vanadates such as YPO.sub.4 with a portion of the rare earth replaced with one or more of the transition elements. On X-ray or other electromagnetic excitation, trace lanthanide impurities or additives within the phosphor are spectrometrically determined from their characteristic luminescence.

Quantification of 2D elemental distribution maps of intermediate-thick biological sections by low energy synchrotron μ-X-ray fluorescence spectrometry

NASA Astrophysics Data System (ADS)

Kump, P.; Vogel-Mikuš, K.

2018-05-01

Two fundamental-parameter (FP) based models for quantification of 2D elemental distribution maps of intermediate-thick biological samples by synchrotron low energy μ-X-ray fluorescence spectrometry (SR-μ-XRF) are presented and applied to the elemental analysis in experiments with monochromatic focused photon beam excitation at two low energy X-ray fluorescence beamlines—TwinMic, Elettra Sincrotrone Trieste, Italy, and ID21, ESRF, Grenoble, France. The models assume intermediate-thick biological samples composed of measured elements, the sources of the measurable spectral lines, and by the residual matrix, which affects the measured intensities through absorption. In the first model a fixed residual matrix of the sample is assumed, while in the second model the residual matrix is obtained by the iteration refinement of elemental concentrations and an adjusted residual matrix. The absorption of the incident focused beam in the biological sample at each scanned pixel position, determined from the output of a photodiode or a CCD camera, is applied as a control in the iteration procedure of quantification.

Comparison of Damage Path Predictions for Composite Laminates by Explicit and Standard Finite Element Analysis Tools

NASA Technical Reports Server (NTRS)

Bogert, Philip B.; Satyanarayana, Arunkumar; Chunchu, Prasad B.

2006-01-01

Splitting, ultimate failure load and the damage path in center notched composite specimens subjected to in-plane tension loading are predicted using progressive failure analysis methodology. A 2-D Hashin-Rotem failure criterion is used in determining intra-laminar fiber and matrix failures. This progressive failure methodology has been implemented in the Abaqus/Explicit and Abaqus/Standard finite element codes through user written subroutines "VUMAT" and "USDFLD" respectively. A 2-D finite element model is used for predicting the intra-laminar damages. Analysis results obtained from the Abaqus/Explicit and Abaqus/Standard code show good agreement with experimental results. The importance of modeling delamination in progressive failure analysis methodology is recognized for future studies. The use of an explicit integration dynamics code for simple specimen geometry and static loading establishes a foundation for future analyses where complex loading and nonlinear dynamic interactions of damage and structure will necessitate it.

COMGEN - A PROGRAM FOR GENERATING FINITE ELEMENT MODELS OF COMPOSITE MATERIALS AT THE MICRO LEVEL (SGI IRIS VERSION)

NASA Technical Reports Server (NTRS)

Melis, M. E.

1994-01-01

A significant percentage of time spent in a typical finite element analysis is taken up in the modeling and assignment of loads and constraints. This process not only requires the analyst to be well-versed in the art of finite element modeling, but also demands familiarity with some sort of preprocessing software in order to complete the task expediently. COMGEN (COmposite Model GENerator) is an interactive FORTRAN program which can be used to create a wide variety of finite element models of continuous fiber composite materials at the micro level. It quickly generates batch or "session files" to be submitted to the finite element pre- and post-processor program, PATRAN. (PDA Engineering, Costa Mesa, CA.) In modeling a composite material, COMGEN assumes that its constituents can be represented by a "unit cell" of a fiber surrounded by matrix material. Two basic cell types are available. The first is a square packing arrangement where the fiber is positioned in the center of a square matrix cell. The second type, hexagonal packing, has the fiber centered in a hexagonal matrix cell. Different models can be created using combinations of square and hexagonal packing schemes. Variations include two- and three- dimensional cases, models with a fiber-matrix interface, and different constructions of unit cells. User inputs include fiber diameter and percent fiber-volume of the composite to be analyzed. In addition, various mesh densities, boundary conditions, and loads can be assigned to the models within COMGEN. The PATRAN program then uses a COMGEN session file to generate finite element models and their associated loads which can then be translated to virtually any finite element analysis code such as NASTRAN or MARC. COMGEN is written in FORTRAN 77 and has been implemented on DEC VAX series computers under VMS and SGI IRIS series workstations under IRIX. If the user has the PATRAN package available, the output can be graphically displayed. Without PATRAN, the output is tabular. The VAX VMS version is available on a 5.25 inch 360K MS-DOS format diskette (standard distribution media) or a 9-track 1600 BPI DEC VAX FILES-11 format magnetic tape, and it requires about 124K of main memory. The standard distribution media for the IRIS version is a .25 inch streaming magnetic tape cartridge in UNIX tar format. The memory requirement for the IRIS version is 627K. COMGEN was developed in 1990. DEC, VAX and VMS are trademarks of Digital Equipment Corporation. PATRAN is a registered trademark of PDA Engineering. SGI IRIS and IRIX are trademarks of Silicon Graphics, Inc. MS-DOS is a registered trademark of Microsoft Corporation. UNIX is a registered trademark of AT&T.

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.

Computationally Efficient Modeling and Simulation of Large Scale Systems

NASA Technical Reports Server (NTRS)

Jain, Jitesh (Inventor); Koh, Cheng-Kok (Inventor); Balakrishnan, Vankataramanan (Inventor); Cauley, Stephen F (Inventor); Li, Hong (Inventor)

2014-01-01

A system for simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof, including a processor, and a memory, the processor configured to perform obtaining a matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure, the element values for each matrix including inductance L and inverse capacitance P, obtaining an adjacency matrix A associated with the interconnect structure, storing the matrices X, Y, and A in the memory, and performing numerical integration to solve first and second equations.

Trace element analysis of extraterrestrial metal samples by inductively coupled plasma mass spectrometry: the standard solutions and digesting acids.

PubMed

Wang, Guiqin; Wu, Yangsiqian; Lin, Yangting

2016-02-28

Nearly 99% of the total content of extraterrestrial metals is composed of Fe and Ni, but with greatly variable trace element contents. The accuracy obtained in the inductively coupled plasma mass spectrometry (ICP-MS) analysis of solutions of these samples can be significantly influenced by matrix contents, polyatomic ion interference, and the concentrations of external standard solutions. An ICP-MS instrument (X Series 2) was used to determine 30 standard solutions with different concentrations of trace elements, and different matrix contents. Based on these measurements, the matrix effects were determined. Three iron meteorites were dissolved separately in aqua regia and HNO3. Deviations due to variation of matrix contents in the external standard solutions were evaluated and the analysis results of the two digestion methods for iron meteorites were assessed. Our results show obvious deviations due to unmatched matrix contents in the external standard solutions. Furthermore, discrepancy in the measurement of some elements was found between the sample solutions prepared with aqua regia and HNO3, due to loss of chloride during sample preparation and/or incomplete digestion of highly siderophile elements in iron meteorites. An accurate ICP-MS analysis method for extraterrestrial metal samples has been established using external standard solutions with matched matrix contents and digesting the samples with HNO3 and aqua regia. Using the data from this work, the Mundrabilla iron meteorite previously classified as IAB-ung is reclassified as IAB-MG. Copyright © 2016 John Wiley & Sons, Ltd.

Second rank direction cosine spherical tensor operators and the nuclear electric quadrupole hyperfine structure Hamiltonian of rotating molecules

NASA Astrophysics Data System (ADS)

di Lauro, C.

2018-03-01

Transformations of vector or tensor properties from a space-fixed to a molecule-fixed axis system are often required in the study of rotating molecules. Spherical components λμ,ν of a first rank irreducible tensor can be obtained from the direction cosines between the two axis systems, and a second rank tensor with spherical components λμ,ν(2) can be built from the direct product λ × λ. It is shown that the treatment of the interaction between molecular rotation and the electric quadrupole of a nucleus is greatly simplified, if the coefficients in the axis-system transformation of the gradient of the electric field of the outer charges at the coupled nucleus are arranged as spherical components λμ,ν(2). Then the reduced matrix elements of the field gradient operators in a symmetric top eigenfunction basis, including their dependence on the molecule-fixed z-angular momentum component k, can be determined from the knowledge of those of λ(2) . The hyperfine structure Hamiltonian Hq is expressed as the sum of terms characterized each by a value of the molecule-fixed index ν, whose matrix elements obey the rule Δk = ν. Some of these terms may vanish because of molecular symmetry, and the specific cases of linear and symmetric top molecules, orthorhombic molecules, and molecules with symmetry lower than orthorhombic are considered. Each ν-term consists of a contraction of the rotational tensor λ(2) and the nuclear quadrupole tensor in the space-fixed frame, and its matrix elements in the rotation-nuclear spin coupled representation can be determined by the standard spherical tensor methods.

Local interaction simulation approach to modelling nonclassical, nonlinear elastic behavior in solids.

PubMed

Scalerandi, Marco; Agostini, Valentina; Delsanto, Pier Paolo; Van Den Abeele, Koen; Johnson, Paul A

2003-06-01

Recent studies show that a broad category of materials share "nonclassical" nonlinear elastic behavior much different from "classical" (Landau-type) nonlinearity. Manifestations of "nonclassical" nonlinearity include stress-strain hysteresis and discrete memory in quasistatic experiments, and specific dependencies of the harmonic amplitudes with respect to the drive amplitude in dynamic wave experiments, which are remarkably different from those predicted by the classical theory. These materials have in common soft "bond" elements, where the elastic nonlinearity originates, contained in hard matter (e.g., a rock sample). The bond system normally comprises a small fraction of the total material volume, and can be localized (e.g., a crack in a solid) or distributed, as in a rock. In this paper a model is presented in which the soft elements are treated as hysteretic or reversible elastic units connected in a one-dimensional lattice to elastic elements (grains), which make up the hard matrix. Calculations are performed in the framework of the local interaction simulation approach (LISA). Experimental observations are well predicted by the model, which is now ready both for basic investigations about the physical origins of nonlinear elasticity and for applications to material damage diagnostics.

Computationally efficient modeling and simulation of large scale systems

NASA Technical Reports Server (NTRS)

Jain, Jitesh (Inventor); Cauley, Stephen F. (Inventor); Li, Hong (Inventor); Koh, Cheng-Kok (Inventor); Balakrishnan, Venkataramanan (Inventor)

2010-01-01

A method of simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof. A matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure are obtained where the element values for each matrix include inductance L and inverse capacitance P. An adjacency matrix A associated with the interconnect structure is obtained. Numerical integration is used to solve first and second equations, each including as a factor the product of the inverse matrix X.sup.1 and at least one other matrix, with first equation including X.sup.1Y, X.sup.1A, and X.sup.1P, and the second equation including X.sup.1A and X.sup.1P.

Electrothermal atomisation atomic absorption conditions and matrix modifications for determining antimony, arsenic, bismuth, cadmium, gallium, gold, indium, lead, molybdenum, palladium, platinum, selenium, silver, tellurium, thallium and tin following back-extraction of organic aminohalide extracts

USGS Publications Warehouse

Clark, J.R.

1986-01-01

A multi-element organic-extraction and back-extraction procedure, that had been developed previously to eliminate matrix interferences in the determination of a large number of trace elements in complex materials such as geological samples, produced organic and aqueous solutions that were complex. Electrothermal atomisation atomic absorption conditions and matrix modifications have been developed for 13 of the extracted elements (Ag, As, Au, Bi, Cd, Ga, In, Pb, Sb, Se, Sn, Te and Tl) that enhance sensitivity, alleviate problems resulting from the complex solutions and produce acceptable precision. Platinum, Pd and Mo can be determined without matrix modification directly on the original unstripped extracts.

Excitation energies of particle-hole states in {sup 208}Pb and the surface delta interaction

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

Heusler, A., E-mail: A.Heusler@mpi-hd.mpg.de; Jolos, R. V., E-mail: Jolos@theor.jinr.ru; Brentano, P. von, E-mail: Brentano@ikp.uni-koeln.de

2013-07-15

The schematic shell model without residual interaction (SSM) assumes the same excitation energy for all spins in each particle-hole configuration multiplet. In {sup 208}Pb, more than forty states are known to contain almost the full strength of a single particle-hole configuration. The experimental excitation energy for a state with a certain spin differs from the energy predicted by the SSM by -0.2 to +0.6 MeV. The multiplet splitting is calculated with the surface delta interaction; it corresponds to the diagonal matrix element of the residual interaction in the SSM. For states containing more than 90% strength of a certain configurationmore » and for the centroid of several completely observed configurations, the calculated multiplet splitting often approximates the experimental excitation energy within 30 keV. The strong mixing within some pairs of states containing the full strengths of two configurations is explained.« less

Vision though afocal instruments: generalized magnification and eye-instrument interaction

NASA Astrophysics Data System (ADS)

Harris, William F.; Evans, Tanya

2018-04-01

In Gaussian optics all observers experience the same magnification, the instrument's angular magnification, when viewing distant objects though a telescope or other afocal instruments. However, analysis in linear optics shows that this is not necessarily so in the presence of astigmatism. Because astigmatism may distort and rotate images it is appropriate to work with generalized angular magnification represented by a 2 × 2 matrix. An expression is derived for the generalized magnification for an arbitrary eye looking through an arbitrary afocal instrument. With afocal instruments containing astigmatic refracting elements not all eyes experience the same generalized magnification; there is interaction between eye and instrument. Eye-instrument interaction may change as the instrument is rotated about its longitudinal axis, there being no interaction in particular orientations. A simple numerical example is given. For sake of completeness, expressions for generalized magnification are also presented in the case of instruments that are not afocal and objects that are not distant.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Wang, Wenzhong (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor); Poudel, Bed (Inventor); Kumar, Shankar (Inventor)

2009-01-01

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

DOEpatents

Ren, Zhifeng [Newton, MA; Chen, Gang [Carlisle, MA; Poudel, Bed [West Newton, MA; Kumar, Shankar [Newton, MA; Wang, Wenzhong [Beijing, CN; Dresselhaus, Mildred [Arlington, MA

2009-09-08

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Similarity-transformed chiral NN + 3N interactions for the ab initio description of 12C and 16O.

PubMed

Roth, Robert; Langhammer, Joachim; Calci, Angelo; Binder, Sven; Navrátil, Petr

2011-08-12

We present first ab initio no-core shell model (NCSM) calculations using similarity renormalization group (SRG) transformed chiral two-nucleon (NN) plus three-nucleon (3N) interactions for nuclei throughout the p-shell, particularly (12)C and (16)O. By introducing an adaptive importance truncation for the NCSM model space and an efficient JT-coupling scheme for the 3N matrix elements, we are able to surpass previous NCSM studies including 3N interactions. We present ground and excited states in (12)C and (16)O for model spaces up to N(max) = 12 including full 3N interactions. We analyze the contributions of induced and initial 3N interactions and probe induced 4N terms through the sensitivity of the energies on the SRG flow parameter. Unlike for light p-shell nuclei, SRG-induced 4N contributions originating from the long-range two-pion terms of the chiral 3N interaction are sizable in (12)C and (16)O.

Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set

NASA Astrophysics Data System (ADS)

Oberhofer, Harald; Blumberger, Jochen

2010-12-01

We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q-) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ( {< {| {H_ab } |^2 } > } )^{1/2} = 6.7 {mH}, is significantly higher than the value obtained for the minimum energy structure, | {H_ab } | = 3.8 {mH}. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q- in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

Multiscale strain analysis of tissue equivalents using a custom-designed biaxial testing device.

PubMed

Bell, B J; Nauman, E; Voytik-Harbin, S L

2012-03-21

Mechanical signals transferred between a cell and its extracellular matrix play an important role in regulating fundamental cell behavior. To further define the complex mechanical interactions between cells and matrix from a multiscale perspective, a biaxial testing device was designed and built. Finite element analysis was used to optimize the cruciform specimen geometry so that stresses within the central region were concentrated and homogenous while minimizing shear and grip effects. This system was used to apply an equibiaxial loading and unloading regimen to fibroblast-seeded tissue equivalents. Digital image correlation and spot tracking were used to calculate three-dimensional strains and associated strain transfer ratios at macro (construct), meso, matrix (collagen fibril), cell (mitochondria), and nuclear levels. At meso and matrix levels, strains in the 1- and 2-direction were statistically similar throughout the loading-unloading cycle. Interestingly, a significant amplification of cellular and nuclear strains was observed in the direction perpendicular to the cell axis. Findings indicate that strain transfer is dependent upon local anisotropies generated by the cell-matrix force balance. Such multiscale approaches to tissue mechanics will assist in advancement of modern biomechanical theories as well as development and optimization of preconditioning regimens for functional engineered tissue constructs. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Diffusion in silicate melts: III. Empirical models for multicomponent diffusion

NASA Astrophysics Data System (ADS)

Yan, Liang; Richter, Frank M.; Chamberlin, Laurinda

1997-12-01

Empirical models for multicomponent diffusion in an isotropic fluid were derived by splitting the component's dispersion velocity into two parts: (a) an intrinsic velocity which is proportional to each component's electrochemical potential gradient and independent of reference frame and (b) a net interaction velocity which is both model and reference frame dependent. Simple molecules (e.g., M pO q) were chosen as endmember components. The interaction velocity is assumed to be either the same for each component (leading to a common relaxation velocity U) or proportional to a common interaction force ( F). U or F is constrained by requiring no local buildup in either volume or charge. The most general form of the model-derived diffusion matrix [ D] can be written as a product of a model-dependent kinetic matrix [ L] and a model independent thermodynamic matrix [ G], [ D] = [ L] · [ G]. The elements of [ G] are functions of derivatives of chemical potential with respect to concentration. The elements of [ L] are functions of concentration and partial molar volume of the endmember components, Cio and Vio, and self diffusivity Di, and charge number zi of individual diffusing species. When component n is taken as the dependent variable they can be written in a common form L ij = D jδ ij + C io[V noD n - V joD j)A i + (p nz nD n - p jz jD j)B i] where the functional forms of the scaling factors Ai and Bi depend on the model considered. The off-diagonal element Lij ( i ≠ j) is directly proportional to the concentration of component i, and thus negligible when i is a dilute component. The salient feature of kinetic interaction or relaxation is to slow down larger (volume or charge) and faster diffusing components and to speed up smaller (volume or charge) and slower moving species, in order to prevent local volume or charge buildup. Empirical models for multicomponent diffusion were tested in the ternary system CaOAl 2O 3SiO 2 at 1500°C and 1 GPa over a large range of melt compositions. Model-derived diffusion matrices calculated using measured self diffusivities (Ca, Al, Si, and O), partial molar volumes, and activities were compared with experimentally derived diffusion matrices at two melt compositions. Chemical diffusion profiles computed using the model-derived diffusion matrices, accounting for the compositional dependency of self diffusivities and activity coefficients, were also compared with the experimentally measured ones. Good agreement was found between the ionic common-force model derived diffusion profiles and the experimentally measured ones. Secondary misfits could result from either inadequacies of the model or inaccuracies in activity-composition relationship. The results show that both kinetic interactions and thermodynamic nonideality contribute significantly to the observed diffusive coupling in the molten CaOAl 2O 3SiO 2.

Molecular dynamics study of mechanical properties of carbon nanotube reinforced aluminum composites

NASA Astrophysics Data System (ADS)

Srivastava, Ashish Kumar; Mokhalingam, A.; Singh, Akhileshwar; Kumar, Dinesh

2016-05-01

Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for the interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young's modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young's modulus of the Al matrix up to 77 % as compared to pure Al.

High-Energy Anomaly in the Angle-Resolved Photoemission Spectra of Nd2-xCexCuO4: Evidence for a Matrix Element Effect

NASA Astrophysics Data System (ADS)

Rienks, E. D. L.; ńrrälä, M.; Lindroos, M.; Roth, F.; Tabis, W.; Yu, G.; Greven, M.; Fink, J.

2014-09-01

We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd2-xCexCuO4, x =0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone.

High-energy anomaly in the angle-resolved photoemission spectra of Nd(2-x)Ce(x)CuO₄: evidence for a matrix element effect.

PubMed

Rienks, E D L; Ärrälä, M; Lindroos, M; Roth, F; Tabis, W; Yu, G; Greven, M; Fink, J

2014-09-26

We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd(2-x)Ce(x)CuO₄, x=0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone.

Double-beta decay processes from lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Davoudi, Zohreh; Tiburzi, Brian; Wagman, Michael; Winter, Frank; Chang, Emmanuel; Detmold, William; Orginos, Kostas; Savage, Martin; Shanahan, Phiala; Nplqcd Collaboration

2017-09-01

While an observation of neutrinoless double-beta decay in upcoming experiments will establish that the neutrinos are Majorana particles, the underlying new physics responsible for this decay can only be constrained if the theoretical predictions of the rate are substantially refined. This talk demonstrates the roadmap in connecting the underlying high-scale theory to the corresponding nuclear matrix elements, focusing mainly on the nucleonic matrix elements in the simplest extension of Standard Model in which a light Majorana neutrino is mediating the process. The role of lattice QCD and effective field theory in this program, in particular, the prospect of a direct matching of the nn to pp amplitude to lattice QCD will be discussed. As a first step towards this goal, the results of the first lattice QCD calculation of the relevant matrix element for neutrinofull double-beta decay will be presented, albeit with unphysical quark masses, along with important lessons that could impact the calculations of nuclear matrix elements involved in double-beta decays of realistic nuclei.

Hydrophilic polyurethane matrix promotes chondrogenesis of mesenchymal stem cells.

PubMed

Nalluri, Sandeep M; Krishnan, G Rajesh; Cheah, Calvin; Arzumand, Ayesha; Yuan, Yuan; Richardson, Caley A; Yang, Shuying; Sarkar, Debanjan

2015-09-01

Segmental polyurethanes exhibit biphasic morphology and can control cell fate by providing distinct matrix guided signals to increase the chondrogenic potential of mesenchymal stem cells (MSCs). Polyethylene glycol (PEG) based hydrophilic polyurethanes can deliver differential signals to MSCs through their matrix phases where hard segments are cell-interactive domains and PEG based soft segments are minimally interactive with cells. These coordinated communications can modulate cell-matrix interactions to control cell shape and size for chondrogenesis. Biphasic character and hydrophilicity of polyurethanes with gel like architecture provide a synthetic matrix conducive for chondrogenesis of MSCs, as evidenced by deposition of cartilage-associated extracellular matrix. Compared to monophasic hydrogels, presence of cell interactive domains in hydrophilic polyurethanes gels can balance cell-cell and cell-matrix interactions. These results demonstrate the correlation between lineage commitment and the changes in cell shape, cell-matrix interaction, and cell-cell adhesion during chondrogenic differentiation which is regulated by polyurethane phase morphology, and thus, represent hydrophilic polyurethanes as promising synthetic matrices for cartilage regeneration. Copyright © 2015 Elsevier B.V. All rights reserved.

Finite-element time evolution operator for the anharmonic oscillator

NASA Technical Reports Server (NTRS)

Milton, Kimball A.

1995-01-01

The finite-element approach to lattice field theory is both highly accurate (relative errors approximately 1/N(exp 2), where N is the number of lattice points) and exactly unitary (in the sense that canonical commutation relations are exactly preserved at the lattice sites). In this talk I construct matrix elements for dynamical variables and for the time evolution operator for the anharmonic oscillator, for which the continuum Hamiltonian is H = p(exp 2)/2 + lambda q(exp 4)/4. Construction of such matrix elements does not require solving the implicit equations of motion. Low order approximations turn out to be extremely accurate. For example, the matrix element of the time evolution operator in the harmonic oscillator ground state gives a results for the anharmonic oscillator ground state energy accurate to better than 1 percent, while a two-state approximation reduces the error to less than 0.1 percent.

A new fast direct solver for the boundary element method

NASA Astrophysics Data System (ADS)

Huang, S.; Liu, Y. J.

2017-09-01

A new fast direct linear equation solver for the boundary element method (BEM) is presented in this paper. The idea of the new fast direct solver stems from the concept of the hierarchical off-diagonal low-rank matrix. The hierarchical off-diagonal low-rank matrix can be decomposed into the multiplication of several diagonal block matrices. The inverse of the hierarchical off-diagonal low-rank matrix can be calculated efficiently with the Sherman-Morrison-Woodbury formula. In this paper, a more general and efficient approach to approximate the coefficient matrix of the BEM with the hierarchical off-diagonal low-rank matrix is proposed. Compared to the current fast direct solver based on the hierarchical off-diagonal low-rank matrix, the proposed method is suitable for solving general 3-D boundary element models. Several numerical examples of 3-D potential problems with the total number of unknowns up to above 200,000 are presented. The results show that the new fast direct solver can be applied to solve large 3-D BEM models accurately and with better efficiency compared with the conventional BEM.

Transfer matrix calculation for ion optical elements using real fields

NASA Astrophysics Data System (ADS)

Mishra, P. M.; Blaum, K.; George, S.; Grieser, M.; Wolf, A.

2018-03-01

With the increasing importance of ion storage rings and traps in low energy physics experiments, an efficient transport of ion species from the ion source area to the experimental setup becomes essential. Some available, powerful software packages rely on transfer matrix calculations in order to compute the ion trajectory through the ion-optical beamline systems of high complexity. With analytical approaches, so far the transfer matrices are documented only for a few ideal ion optical elements. Here we describe an approach (using beam tracking calculations) to determine the transfer matrix for any individual electrostatic or magnetostatic ion optical element. We verify the procedure by considering the well-known cases and then apply it to derive the transfer matrix of a 90-degree electrostatic quadrupole deflector including its realistic geometry and fringe fields. A transfer line consisting of a quadrupole deflector and a quadrupole doublet is considered, where the results from the standard first order transfer matrix based ion optical simulation program implementing the derived transfer matrix is compared with the real field beam tracking simulations.

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.

Rolling Element Bearing Stiffness Matrix Determination (Presentation)

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

Guo, Y.; Parker, R.

2014-01-01

Current theoretical bearing models differ in their stiffness estimates because of different model assumptions. In this study, a finite element/contact mechanics model is developed for rolling element bearings with the focus of obtaining accurate bearing stiffness for a wide range of bearing types and parameters. A combined surface integral and finite element method is used to solve for the contact mechanics between the rolling elements and races. This model captures the time-dependent characteristics of the bearing contact due to the orbital motion of the rolling elements. A numerical method is developed to determine the full bearing stiffness matrix corresponding tomore » two radial, one axial, and two angular coordinates; the rotation about the shaft axis is free by design. This proposed stiffness determination method is validated against experiments in the literature and compared to existing analytical models and widely used advanced computational methods. The fully-populated stiffness matrix demonstrates the coupling between bearing radial, axial, and tilting bearing deflections.« less

Numerical investigations on the effect of slenderness ratio of matrix elements in cryogenic chill down process

NASA Astrophysics Data System (ADS)

Reby Roy, K. E.; Mohammed, Jesna; Abhiroop, V. M.; Thekkethil, S. R.

2017-02-01

Cryogenic fluids have many applications in space, medicine, preservation etc. The chill-down of cryogenic fluid transfer line is a complicated phenomenon occurring in most of the cryogenic systems. The cryogenic fluid transfer line, which is initially at room temperature, has to be cooled to the temperature of the cryogen as fast as possible. When the cryogenic fluid at liquid state passes along the line, transient heat transfer between the cryogen and the transfer line causes voracious evaporation of the liquid. This paper makes a contribution to the two-phase flow along a rectangular flow passage consisting of an array of elliptically shaped matrix elements. A simplified 2D model is considered and the problem is solved using ANSYS FLUENT. The present analysis aims to study the influence of the slenderness ratio of matrix elements on the heat transfer rate and chill down time. For a comparative study, matrix elements of slenderness ratios 5 and 10 are considered. Liquid nitrogen at 74K flows through the matrix. The material of the transfer line is assumed to be aluminium which is initially at room temperature. The influence of Reynolds numbers from 800 to 3000 on chill-down is also investigated.

Efficient conjugate gradient algorithms for computation of the manipulator forward dynamics

NASA Technical Reports Server (NTRS)

Fijany, Amir; Scheid, Robert E.

1989-01-01

The applicability of conjugate gradient algorithms for computation of the manipulator forward dynamics is investigated. The redundancies in the previously proposed conjugate gradient algorithm are analyzed. A new version is developed which, by avoiding these redundancies, achieves a significantly greater efficiency. A preconditioned conjugate gradient algorithm is also presented. A diagonal matrix whose elements are the diagonal elements of the inertia matrix is proposed as the preconditioner. In order to increase the computational efficiency, an algorithm is developed which exploits the synergism between the computation of the diagonal elements of the inertia matrix and that required by the conjugate gradient algorithm.

Matrix elements for type 1 unitary irreducible representations of the Lie superalgebra gl(m|n)

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

Gould, Mark D.; Isaac, Phillip S.; Werry, Jason L.

Using our recent results on eigenvalues of invariants associated to the Lie superalgebra gl(m|n), we use characteristic identities to derive explicit matrix element formulae for all gl(m|n) generators, particularly non-elementary generators, on finite dimensional type 1 unitary irreducible representations. We compare our results with existing works that deal with only subsets of the class of type 1 unitary representations, all of which only present explicit matrix elements for elementary generators. Our work therefore provides an important extension to existing methods, and thus highlights the strength of our techniques which exploit the characteristic identities.

Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

NASA Astrophysics Data System (ADS)

Alexander, Steven; Coldwell, R. L.

2015-03-01

The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

Collision for Li++He System. I. Potential Curves and Non-Adiabatic Coupling Matrix Elements

NASA Astrophysics Data System (ADS)

Yoshida, Junichi; O-Ohata, Kiyosi

1984-02-01

The potential curves and the non-adiabatic coupling matrix elements for the Li++He collision system were computed. The SCF molecular orbitals were constructed with the CGTO atomic bases centered on each nucleus and the center of mass of two nuclei. The SCF and CI calculations were done at various internuclear distances in the range of 0.1˜25.0 a.u. The potential energies and the wavefunctions were calculated with good approximation over whole internuclear distance. The non-adiabatic coupling matrix elements were calculated with the tentative method in which the ETF are approximately taken into account.

Emerging interactions between matrix components during biofilm development.

PubMed

Payne, David E; Boles, Blaise R

2016-02-01

Bacterial cells are most often found in the form of multicellular aggregates commonly referred to as biofilms. Biofilms offer their member cells several benefits, such as resistance to killing by antimicrobials and predation. During biofilm formation there is a production of extracellular substances that, upon assembly, constitute an extracellular matrix. The ability to generate a matrix encasing the microbial cells is a common feature of biofilms, but there is diversity in matrix composition and in interaction between matrix components. The different components of bacterial biofilm extracellular matrixes, known as matrix interactions, and resulting implications are discussed in this review.

A coupled/uncoupled deformation and fatigue damage algorithm utilizing the finite element method

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.

1994-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum based fatigue damage model for unidirectional metal matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress which fully couples the fatigue damage calculations with the finite element deformation solution. An axisymmetric stress analysis was performed on a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. The composite core behavior was represented using Hill's anisotropic continuum based plasticity model, and similarly, the matrix cladding was represented by an isotropic plasticity model. Results are presented in the form of S-N curves and damage distribution plots.

Comparison between Adaptive and Uniform Discontinuous Galerkin Simulations in Dry 2D Bubble Experiments

DTIC Science & Technology

2012-11-08

ψk with the mass matrix Mik = ∫ Ωe ψiψkdΩ; for the sake of simplicity, we did not write the dependence on x of the basis functions although it should...polynomial order N throughout all the elements Ωe in the domain Ω = ⋃Ne e =1 Ωe and if we insist that the elements have straight edges, then the matrix M−1...constant within each element of our grid but we allow µlim to change between different elements. The total viscosity parameter for each element e is

NUCLEAR REACTOR FUEL ELEMENTS AND METHOD OF PREPARATION

DOEpatents

Kingston, W.E.; Kopelman, B.; Hausner, H.H.

1963-07-01

A fuel element consisting of uranium nitride and uranium carbide in the form of discrete particles in a solid coherent matrix of a metal such as steel, beryllium, uranium, or zirconium and clad with a metal such as steel, aluminum, zirconium, or beryllium is described. The element is made by mixing powdered uranium nitride and uranium carbide with powdered matrix metal, then compacting and sintering the mixture. (AEC)

Features of quark and lepton mixing from differential geometry of curves on surfaces

NASA Astrophysics Data System (ADS)

Bordes, José; Hong-Mo, Chan; Pfaudler, Jakov; Sheung Tsun, Tsou

1998-09-01

It is noted that the Cabibbo-Kobayashi-Moskawa (CKM) matrix elements for both quarks and leptons as conceived in the dualized standard model (DSM) can be interpreted as direction cosines obtained by moving the Darboux trihedron (a 3-frame) along a trajectory on a sphere traced out through changing energy scales by a 3-vector factorized from the mass matrix. From the Darboux analogues of the well-known Serret-Frenet formulas for space curves, it is seen that the corner elements (Vub,Vtd for quarks, and Ue3,Uτ1 for leptons) are associated with the (geodesic) torsion, while the other off-diagonal elements (Vus,Vcd and Vcb,Vts for quarks, and Ue2,Uμ1 and Uμ3,Uτ2 for leptons) with the (respectively, geodesic and normal) curvatures of the trajectory. From this it follows that (i) the corner elements in both matrices are much smaller than the other elements, and (ii) the Uμ3,Uτ2 elements for the lepton CKM matrix are much larger than their counterparts in the quark matrix. Both these conclusions are strongly borne out by experiment, for quarks in hadron decays and for leptons in neutrino oscillations, and by previous explicit calculations within the DSM scheme.

A 3/D finite element approach for metal matrix composites based on micromechanical models

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

Svobodnik, A.J.; Boehm, H.J.; Rammerstorfer, F.G.

Based on analytical considerations by Dvorak and Bahel-El-Din, a 3/D finite element material law has been developed for the elastic-plastic analysis of unidirectional fiber-reinforced metal matrix composites. The material law described in this paper has been implemented in the finite element code ABAQUS via the user subroutine UMAT. A constitutive law is described under the assumption that the fibers are linear-elastic and the matrix is of a von Mises-type with a Prager-Ziegler kinematic hardening rule. The uniaxial effective stress-strain relationship of the matrix in the plastic range is approximated by a Ramberg-Osgood law, a linear hardening rule or a nonhardeningmore » rule. Initial yield surface of the matrix material and for the fiber reinforced composite are compared to show the effect of reinforcement. Implementation of this material law in a finite element program is shown. Furthermore, the efficiency of substepping schemes and stress corrections for the numerical integration of the elastic-plastic stress-strain relations for anisotropic materials are investigated. The results of uniaxial monotonic tests of a boron/aluminum composite are compared to some finite element analyses based on micromechanical considerations. Furthermore a complete 3/D analysis of a tensile test specimen made of a silicon-carbide/aluminum MMC and the analysis of an MMC inlet inserted in a homogenous material are shown. 12 refs.« less

Polarization-interference Jones-matrix mapping of biological crystal networks

NASA Astrophysics Data System (ADS)

Ushenko, O. G.; Dubolazov, O. V.; Pidkamin, L. Y.; Sidor, M. I.; Pavlyukovich, N.; Pavlyukovich, O.

2018-01-01

The paper consists of two parts. The first part presents short theoretical basics of the method of Jones-matrix mapping with the help of reference wave. It was provided experimentally measured coordinate distributions of modulus of Jones-matrix elements of polycrystalline film of bile. It was defined the values and ranges of changing of statistic moments, which characterize such distributions. The second part presents the data of statistic analysis of the distributions of matrix elements of polycrystalline film of urine of donors and patients with albuminuria. It was defined the objective criteria of differentiation of albuminuria.

TransCut: interactive rendering of translucent cutouts.

PubMed

Li, Dongping; Sun, Xin; Ren, Zhong; Lin, Stephen; Tong, Yiying; Guo, Baining; Zhou, Kun

2013-03-01

We present TransCut, a technique for interactive rendering of translucent objects undergoing fracturing and cutting operations. As the object is fractured or cut open, the user can directly examine and intuitively understand the complex translucent interior, as well as edit material properties through painting on cross sections and recombining the broken pieces—all with immediate and realistic visual feedback. This new mode of interaction with translucent volumes is made possible with two technical contributions. The first is a novel solver for the diffusion equation (DE) over a tetrahedral mesh that produces high-quality results comparable to the state-of-art finite element method (FEM) of Arbree et al. but at substantially higher speeds. This accuracy and efficiency is obtained by computing the discrete divergences of the diffusion equation and constructing the DE matrix using analytic formulas derived for linear finite elements. The second contribution is a multiresolution algorithm to significantly accelerate our DE solver while adapting to the frequent changes in topological structure of dynamic objects. The entire multiresolution DE solver is highly parallel and easily implemented on the GPU. We believe TransCut provides a novel visual effect for heterogeneous translucent objects undergoing fracturing and cutting operations.

The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory

PubMed Central

Bosbach, Wolfram A.

2015-01-01

Background The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. Objectives and Motivation In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. Materials and Methods The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. Results and Conclusions The obtained material stiffness isn’t a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials. PMID:26569603

Structure of p-shell nuclei using three-nucleon interactions evolved with the similarity renormalization group

DOE PAGES

Jurgenson, E. D.; Maris, P.; Furnstahl, R. J.; ...

2013-05-13

The similarity renormalization group (SRG) is used to soften interactions for ab initio nuclear structure calculations by decoupling low- and high-energy Hamiltonian matrix elements. The substantial contribution of both initial and SRG-induced three-nucleon forces requires their consistent evolution in a three-particle basis space before applying them to larger nuclei. While, in principle, the evolved Hamiltonians are unitarily equivalent, in practice the need for basis truncation introduces deviations, which must be monitored. Here we present benchmark no-core full configuration calculations with SRG-evolved interactions in p-shell nuclei over a wide range of softening. As a result, these calculations are used to assessmore » convergence properties, extrapolation techniques, and the dependence of energies, including four-body contributions, on the SRG resolution scale.« less

On the Singularity in the Estimation of the Quaternion-of-Rotation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Thienel, Julie K.

2003-01-01

It has been claimed in the archival literature that the covariance matrix of a Kalman filter, which is designed to estimate the quaternion-of-rotation, is necessarily rank deficient because the normality constraint of the quaternion produces dependence between the quaternion elements. In reality, though, this phenomenon does not occur. The covariance matrix is not singular, and the filter is well behaved. Several simple examples are presented that demonstrate the regularity of the covariance matrix. First, estimation cases are presented where a relationship exists between the estimated variables, and yet the covariance matrix is not singular. Then the particular problem of quaternion estimation is analyzed. It is shown that the discrepancy stems from the fact that a functional relationship exists between the elements of the true quaternion but not between its estimated elements.

Simplified equation for Young's modulus of CNT reinforced concrete

NASA Astrophysics Data System (ADS)

Chandran, RameshBabu; Gifty Honeyta A, Maria

2017-12-01

This research investigation focuses on finite element modeling of carbon nanotube (CNT) reinforced concrete matrix for three grades of concrete namely M40, M60 and M120. Representative volume element (RVE) was adopted and one-eighth model depicting the CNT reinforced concrete matrix was simulated using FEA software ANSYS17.2. Adopting random orientation of CNTs, with nine fibre volume fractions from 0.1% to 0.9%, finite element modeling simulations replicated exactly the CNT reinforced concrete matrix. Upon evaluations of the model, the longitudinal and transverse Young's modulus of elasticity of the CNT reinforced concrete was arrived. The graphical plots between various fibre volume fractions and the concrete grade revealed simplified equation for estimating the young's modulus. It also exploited the fact that the concrete grade does not have significant impact in CNT reinforced concrete matrix.

Relativistic calculations of atomic properties

NASA Astrophysics Data System (ADS)

Kaur, Jasmeet; Sahoo, B. K.; Arora, Bindiya

2017-04-01

Singly charged ions are engaging candidates in many areas of Physics. They are especially important in astrophysics for evaluating the radiative properties of stellar objects, in optical frequency standards and for fundamental physics studies such as searches for permanent electric dipole moments and atomic parity violation. Interpretation of these experiments often requires a knowledge of their transition wavelengths and electric dipole amplitudes. In this work, we discuss the calculation of various properties of alkaline earth ions. The relativistic all-order SD method in which all single and double excitations of the Dirac-Fock wave function are included, is used to calculate these atomic properties. We use this method for evaluation of electric dipole matrix elements of alkaline earth ions. Combination of these matrix elements with experimental energies allow to obtain the polarizabilities of ground and excited states of ions. We discuss the applications of estimated polarizabiities as a function of imaginary frequencies in the calculations of long-range atom-ion interactions. We have also located the magic wavelengths for nS1 / 2 - nD3 / 2 , 5 / 2 transitions of alkaline earth ions. These calculated properties will be highly valuable to atomic and astrophysics community. UGC-BSR Grant No. F.7-273/2009/BSR.

Chapter 4. Cytomechanics of hair basics of the mechanical stability.

PubMed

Popescu, Crisan; Höcker, Hartwig

2009-01-01

Hair is a complex "cornified" multicellular tissue composed of cuticle and cortex cells mechanically acting as a whole. The cuticle cells overlap and cortex cells interdigitate, all cells being composed of different morphological elements and separated by the cell membrane complex (CMC). The CMC and the morphological elements of the cortex cells, the macrofibrils, composed of microfibrils or intermediate filaments (IFs), and the intermacrofibrillar and intermicrofibrillar cement or the amorphous matrix material determine the mechanical properties of hair. The IFs consist of alpha-keratin molecules being arranged in a sophisticated way of two parallel monomers and antiparallel and shifted dimers rationalized by the amino acid composition and sequence. The mechanical properties of hair result from mechanical interlocking effects, hydrophobic effects, hydrogen bridges, Coulombic interactions, and (covalent) isodipeptide and, in particular, disulfide bridges on a molecular level. The mechanical models applied to hair are based on a simple two-component system, the microfibril/matrix structure. An important regime of the stress-strain curve is the transition of the molecules of the microfibrils from the alpha-helical to the beta-sheet structure. Due to the longitudinal orientation of the IF molecules the longitudinal swelling of the fibers in water is negligible, the radial swelling, however, is substantial.

Coil-to-coil physiological noise correlations and their impact on fMRI time-series SNR

PubMed Central

Triantafyllou, C.; Polimeni, J. R.; Keil, B.; Wald, L. L.

2017-01-01

Purpose Physiological nuisance fluctuations (“physiological noise”) are a major contribution to the time-series Signal to Noise Ratio (tSNR) of functional imaging. While thermal noise correlations between array coil elements have a well-characterized effect on the image Signal to Noise Ratio (SNR0), the element-to-element covariance matrix of the time-series fluctuations has not yet been analyzed. We examine this effect with a goal of ultimately improving the combination of multichannel array data. Theory and Methods We extend the theoretical relationship between tSNR and SNR0 to include a time-series noise covariance matrix Ψt, distinct from the thermal noise covariance matrix Ψ0, and compare its structure to Ψ0 and the signal coupling matrix SSH formed from the signal intensity vectors S. Results Inclusion of the measured time-series noise covariance matrix into the model relating tSNR and SNR0 improves the fit of experimental multichannel data and is shown to be distinct from Ψ0 or SSH. Conclusion Time-series noise covariances in array coils are found to differ from Ψ0 and more surprisingly, from the signal coupling matrix SSH. Correct characterization of the time-series noise has implications for the analysis of time-series data and for improving the coil element combination process. PMID:26756964

ICAN/PART: Particulate composite analyzer, user's manual and verification studies

NASA Technical Reports Server (NTRS)

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

1996-01-01

A methodology for predicting the equivalent properties and constituent microstresses for particulate matrix composites, based on the micromechanics approach, is developed. These equations are integrated into a computer code developed to predict the equivalent properties and microstresses of fiber reinforced polymer matrix composites to form a new computer code, ICAN/PART. Details of the flowchart, input and output for ICAN/PART are described, along with examples of the input and output. Only the differences between ICAN/PART and the original ICAN code are described in detail, and the user is assumed to be familiar with the structure and usage of the original ICAN code. Detailed verification studies, utilizing dim dimensional finite element and boundary element analyses, are conducted in order to verify that the micromechanics methodology accurately models the mechanics of particulate matrix composites. ne equivalent properties computed by ICAN/PART fall within bounds established by the finite element and boundary element results. Furthermore, constituent microstresses computed by ICAN/PART agree in average sense with results computed using the finite element method. The verification studies indicate that the micromechanics programmed into ICAN/PART do indeed accurately model the mechanics of particulate matrix composites.

Correction to Neutrino Mass Square Difference in the Co-Bimaximal Mixings due to Quantum Gravity

NASA Astrophysics Data System (ADS)

Koranga, Bipin Singh; Narayan, Mohan

2017-11-01

We consider non-renormalizable interaction term as a perturbation of the neutrino mass matrix. We assume that the neutrino masses and mixing arise through physics at a scale intermediate between Planck scale and the electroweak breaking scale. We also assume that, just above the electroweak breaking scale, neutrino masses are nearly degenerate and their mixing is Co-bimaximal mixing by assumming mixing angle θ _{13}≠ 0=10°,θ _{23}={π/4}, tanθ _{12}2= {1-3sinθ _{13}2}/{2}=34° and Dirac phase δ =± π/2. Quantum gravity (Planck scale effects) lead to an effective S U(2) L × U(1) invariant dimension-5 Lagrangian involving neutrino and Higgs fields. On symmetry breaking, this operator gives rise to correction to the above masses and mixing. The gravitational interaction M X = M p l , we find that for degenerate neutrino mass spectrum, the considered perturbation term change the {Δ }_{21}^' } by 12% and {Δ }_{31}^' } mass square difference is unchanged above GUT scale. The nature of gravitational interaction demands that the element of this perturbation matrix should be independent of flavor indices. In this paper, we study the quantum gravity effects on neutrino mass square difference, namely modified dispersion relation for neutrino mass square differences.

Type-III and IV interacting Weyl points

NASA Astrophysics Data System (ADS)

Nissinen, J.; Volovik, G. E.

2017-04-01

3+1-dimensional Weyl fermions in interacting systems are described by effective quasi-relativistic Green's functions parametrized by a 16-element matrix e α μ in an expansion around the Weyl point. The matrix e α μ can be naturally identified as an effective tetrad field for the fermions. The correspondence between the tetrad field and an effective quasi-relativistic metric gμν governing the Weyl fermions allows for the possibility to simulate different classes of metric fields emerging in general relativity in interacting Weyl semimetals. According to this correspondence, there can be four types of Weyl fermions, depending on the signs of the components g 00 and g 00 of the effective metric. In addition to the conventional type-I fermions with a tilted Weyl cone and type-II fermions with an overtilted Weyl cone for g 00 > 0 and, respectively, g 00 > 0 or g 00 < 0, we find additional "type-III" and "type-IV" Weyl fermions with instabilities (complex frequencies) for g 00 < 0 and g 00 > 0 or g 00 < 0, respectively. While the type-I and type-II Weyl points allow us to simulate the black hole event horizon at an interface where g 00 changes sign, the type-III Weyl point leads to effective spacetimes with closed timelike curves.

Dynamical polarizability of atoms in arbitrary light fields: general theory and application to cesium

NASA Astrophysics Data System (ADS)

Le Kien, Fam; Schneeweiss, Philipp; Rauschenbeutel, Arno

2013-05-01

We present a systematic derivation of the dynamical polarizability and the ac Stark shift of the ground and excited states of atoms interacting with a far-off-resonance light field of arbitrary polarization. We calculate the scalar, vector, and tensor polarizabilities of atomic cesium using resonance wavelengths and reduced matrix elements for a large number of transitions. We analyze the properties of the fictitious magnetic field produced by the vector polarizability in conjunction with the ellipticity of the polarization of the light field.

Distance dependence in photo-induced intramolecular electron transfer

NASA Astrophysics Data System (ADS)

Larsson, Sven; Volosov, Andrey

1986-09-01

The distance dependence of the rate of photo-induced electron transfer reactions is studied. A quantum mechanical method CNDO/S is applied to a series of molecules recently investigated by Hush et al. experimentally. The calculations show a large interaction through the saturated bridge which connects the two chromophores. The electronic matrix element HAB decreases a factor 10 in about 4 Å. There is also a decrease of the rate due to less exothermicity for the longer molecule. The results are in fair agreement with the experimental results.

Implementation of a finite-amplitude method in a relativistic meson-exchange model

NASA Astrophysics Data System (ADS)

Sun, Xuwei; Lu, Dinghui

2017-08-01

The finite-amplitude method is a feasible numerical approach to large scale random phase approximation calculations. It avoids the storage and calculation of residual interaction elements as well as the diagonalization of the RPA matrix, which will be prohibitive when the configuration space is huge. In this work we finished the implementation of a finite-amplitude method in a relativistic meson exchange mean field model with axial symmetry. The direct variation approach makes our FAM scheme capable of being extended to the multipole excitation case.

Extracellular Matrix Signaling from the Cellular Membrane Skeleton to the Nuclear Skeleton: A Model of Gene Regulation

PubMed Central

Lelièvre, Sophie; Weaver, Valerie M.; Bissell, Mina J.

2010-01-01

It is well established that cells must interact with their microenvironment and that such interaction is crucial for coordinated function and homeostasis. However, how cells receive and integrate external signals leading to gene regulation is far from understood. It is now appreciated that two classes of cooperative signals are implicated: a soluble class including hormones and growth factors and a class of insoluble signals emanating from the extracellular matrix (ECM) directly through contact with the cell surface. Using 3-dimensional culture systems and transgenic mice, we have been able to identify some of the elements of this ECM-signaling pathway responsible for gene regulation in rodent mammary gland differentiation and involution. Our major observations are 1) the requirement for a laminin-rich basement membrane; 2) the existence of a cooperative signaling pathway between basement membrane and the lactogenic hormone prolactin (PRL); 3) the importance of β1-integrins and bHLH transcription factor(s) and the presence of DNA response elements (exemplified by BCE-1, located on a milk protein gene, β-casein); and 4) the induction of mammary epithelial cell programmed cell death following degradation of basement membrane. We hypothesize that this cooperative signaling between ECM and PRL may be achieved through integrin- and laminin-directed restructuring of the cytoskeleton leading to profound changes in nuclear architecture and transcription factor localization. We postulate that the latter changes allow the prolactin signal to activate transcription of the β-casein gene. To further understand the molecular mechanisms underlying ECM and hormonal cooperative signaling, we are currently investigating ECM regulation of a “solid-state” signaling pathway including ECM fiber proteins, plasma membrane receptors, cytoskeleton, nuclear matrix and chromatin. We further postulate that disruption of such a pathway may be implicated in cell disorders including transformation and carcinogenesis. PMID:8701089

Candidate Cell and Matrix Interaction Domains on the Collagen Fibril, the Predominant Protein of Vertebrates*S⃞

PubMed Central

Sweeney, Shawn M.; Orgel, Joseph P.; Fertala, Andrzej; McAuliffe, Jon D.; Turner, Kevin R.; Di Lullo, Gloria A.; Chen, Steven; Antipova, Olga; Perumal, Shiamalee; Ala-Kokko, Leena; Forlino, Antonella; Cabral, Wayne A.; Barnes, Aileen M.; Marini, Joan C.; Antonio, James D. San

2008-01-01

Type I collagen, the predominant protein of vertebrates, polymerizes with type III and V collagens and non-collagenous molecules into large cable-like fibrils, yet how the fibril interacts with cells and other binding partners remains poorly understood. To help reveal insights into the collagen structure-function relationship, a data base was assembled including hundreds of type I collagen ligand binding sites and mutations on a two-dimensional model of the fibril. Visual examination of the distribution of functional sites, and statistical analysis of mutation distributions on the fibril suggest it is organized into two domains. The “cell interaction domain” is proposed to regulate dynamic aspects of collagen biology, including integrin-mediated cell interactions and fibril remodeling. The “matrix interaction domain” may assume a structural role, mediating collagen cross-linking, proteoglycan interactions, and tissue mineralization. Molecular modeling was used to superimpose the positions of functional sites and mutations from the two-dimensional fibril map onto a three-dimensional x-ray diffraction structure of the collagen microfibril in situ, indicating the existence of domains in the native fibril. Sequence searches revealed that major fibril domain elements are conserved in type I collagens through evolution and in the type II/XI collagen fibril predominant in cartilage. Moreover, the fibril domain model provides potential insights into the genotype-phenotype relationship for several classes of human connective tissue diseases, mechanisms of integrin clustering by fibrils, the polarity of fibril assembly, heterotypic fibril function, and connective tissue pathology in diabetes and aging. PMID:18487200

Candidate Cell and Matrix Interaction Domains on the Collagen Fibril, the Predominant Protein of Vertebrates

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

Sweeney, Shawn M.; Orgel, Joseph P.; Fertala, Andrzej

Type I collagen, the predominant protein of vertebrates, polymerizes with type III and V collagens and non-collagenous molecules into large cable-like fibrils, yet how the fibril interacts with cells and other binding partners remains poorly understood. To help reveal insights into the collagen structure-function relationship, a data base was assembled including hundreds of type I collagen ligand binding sites and mutations on a two-dimensional model of the fibril. Visual examination of the distribution of functional sites, and statistical analysis of mutation distributions on the fibril suggest it is organized into two domains. The 'cell interaction domain' is proposed to regulatemore » dynamic aspects of collagen biology, including integrin-mediated cell interactions and fibril remodeling. The 'matrix interaction domain' may assume a structural role, mediating collagen cross-linking, proteoglycan interactions, and tissue mineralization. Molecular modeling was used to superimpose the positions of functional sites and mutations from the two-dimensional fibril map onto a three-dimensional x-ray diffraction structure of the collagen microfibril in situ, indicating the existence of domains in the native fibril. Sequence searches revealed that major fibril domain elements are conserved in type I collagens through evolution and in the type II/XI collagen fibril predominant in cartilage. Moreover, the fibril domain model provides potential insights into the genotype-phenotype relationship for several classes of human connective tissue diseases, mechanisms of integrin clustering by fibrils, the polarity of fibril assembly, heterotypic fibril function, and connective tissue pathology in diabetes and aging.« less

Scattering Matrix for Typical Urban Anthropogenic Origin Cement Dust and Discrimination of Representative Atmospheric Particulates

NASA Astrophysics Data System (ADS)

Liu, Jia; Zhang, Yongming; Zhang, Qixing; Wang, Jinjun

2018-03-01

The complete scattering matrix for cement dust was measured as a function of scattering angle from 5° to 160° at a wavelength of 532 nm, as a representative of mineral dust of anthropogenic origin in urban areas. Other related characteristics of cement dust, such as particle size distribution, chemical composition, refractive index, and micromorphology, were also analyzed. For this objective, a newly improved apparatus was built and calibrated using water droplets. Measurements of water droplets were in good agreement with Lorenz-Mie calculations. To facilitate the direct applicability of measurements for cement dust in radiative transfer calculation, the synthetic scattering matrix was computed and defined over the full scattering angle range from 0° to 180°. The scattering matrices for cement dust and typical natural mineral dusts were found to be similar in trends and angular behaviors. Angular distributions of all matrix elements were confined to rather limited domains. To promote the application of light-scattering matrix in atmospheric observation and remote sensing, discrimination methods for various atmospheric particulates (cement dust, soot, smolder smoke, and water droplets) based on the angular distributions of their scattering matrix elements are discussed. The ratio -F12/F11 proved to be the most effective discrimination method when a single matrix element is employed; aerosol identification can be achieved based on -F12/F11 values at 90° and 160°. Meanwhile, the combinations of -F12/F11 with F22/F11 (or (F11 - F22)/(F11 + F22)) or -F12/F11 with F44/F11 at 160° can be used when multiple matrix elements at the same scattering angle are selected.

Conservation of connectivity of model-space effective interactions under a class of similarity transformation.

PubMed

Duan, Chang-Kui; Gong, Yungui; Dong, Hui-Ning; Reid, Michael F

2004-09-15

Effective interaction operators usually act on a restricted model space and give the same energies (for Hamiltonian) and matrix elements (for transition operators, etc.) as those of the original operators between the corresponding true eigenstates. Various types of effective operators are possible. Those well defined effective operators have been shown to be related to each other by similarity transformation. Some of the effective operators have been shown to have connected-diagram expansions. It is shown in this paper that under a class of very general similarity transformations, the connectivity is conserved. The similarity transformation between Hermitian and non-Hermitian Rayleigh-Schrodinger perturbative effective operators is one of such transformations and hence the connectivity can be deducted from each other.

Modeling donor/acceptor interactions: Combined roles of theory and computation

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

Newton, M.D.

2000-03-05

An extended superexchange model for electron transfer (ET) matrix elements (H{sub DA}) has been formulated as a superposition of McConnell-type pathways and implemented by combined use of configuration interaction wave functions (obtained using the INDO/s model of Zerner and co-workers) and the generalized Muliken-Hush formulation of charge-localized diabatic states. Applications are made for et (and hold transfer) in several donor/bridge/acceptor radical anion (and cation) systems, (DBA){sup {+-}}, allowing detailed comparison with experimental H{sub DA} estimates. For the case of oligo phenylene ethynylene (OPE) bridges, the role of {pi} and {sigma} electronic manifolds for different distributions of phenylene torsion angles ismore » analyzed in detail.« less

Charge Resolution of the Silicon Matrix of the ATIC Experiment

NASA Technical Reports Server (NTRS)

Zatsepin, V. I.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Batkov, K. E.; Case, G.; Christl, M.; Ganel, O.; Fazely, A. R.; Ganel, O.;

Simplified microstrip discontinuity modeling using the transmission line matrix method interfaced to microwave CAD

NASA Astrophysics Data System (ADS)

Thompson, James H.; Apel, Thomas R.

1990-07-01

A technique for modeling microstrip discontinuities is presented which is derived from the transmission line matrix method of solving three-dimensional electromagnetic problems. In this technique the microstrip patch under investigation is divided into an integer number of square and half-square (triangle) subsections. An equivalent lumped-element model is calculated for each subsection. These individual models are then interconnected as dictated by the geometry of the patch. The matrix of lumped elements is then solved using either of two microwave CAD software interfaces with each port properly defined. Closed-form expressions for the lumped-element representation of the individual subsections is presented and experimentally verified through the X-band frequency range. A model demonstrating the use of symmetry and block construction of a circuit element is discussed, along with computer program development and CAD software interface.

Progress on a generalized coordinates tensor product finite element 3DPNS algorithm for subsonic

NASA Technical Reports Server (NTRS)

Baker, A. J.; Orzechowski, J. A.

1983-01-01

A generalized coordinates form of the penalty finite element algorithm for the 3-dimensional parabolic Navier-Stokes equations for turbulent subsonic flows was derived. This algorithm formulation requires only three distinct hypermatrices and is applicable using any boundary fitted coordinate transformation procedure. The tensor matrix product approximation to the Jacobian of the Newton linear algebra matrix statement was also derived. Tne Newton algorithm was restructured to replace large sparse matrix solution procedures with grid sweeping using alpha-block tridiagonal matrices, where alpha equals the number of dependent variables. Numerical experiments were conducted and the resultant data gives guidance on potentially preferred tensor product constructions for the penalty finite element 3DPNS algorithm.

Discoveries far from the lamppost with matrix elements and ranking

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

Debnath, Dipsikha; Gainer, James S.; Matchev, Konstantin T.

2015-04-01

The prevalence of null results in searches for new physics at the LHC motivates the effort to make these searches as model-independent as possible. We describe procedures for adapting the Matrix Element Method for situations where the signal hypothesis is not known a priori. We also present general and intuitive approaches for performing analyses and presenting results, which involve the flattening of background distributions using likelihood information. The first flattening method involves ranking events by background matrix element, the second involves quantile binning with respect to likelihood (and other) variables, and the third method involves reweighting histograms by the inversemore » of the background distribution.« less

Integrated optic vector-matrix multiplier

DOEpatents

Watts, Michael R [Albuquerque, NM

2011-09-27

A vector-matrix multiplier is disclosed which uses N different wavelengths of light that are modulated with amplitudes representing elements of an N.times.1 vector and combined to form an input wavelength-division multiplexed (WDM) light stream. The input WDM light stream is split into N streamlets from which each wavelength of the light is individually coupled out and modulated for a second time using an input signal representing elements of an M.times.N matrix, and is then coupled into an output waveguide for each streamlet to form an output WDM light stream which is detected to generate a product of the vector and matrix. The vector-matrix multiplier can be formed as an integrated optical circuit using either waveguide amplitude modulators or ring resonator amplitude modulators.

Characterizing species interactions to understand press perturbations: What is the community matrix?

USGS Publications Warehouse

Novak, Mark; Yeakel, Justin D.; Noble, Andrew E.; Doak, Daniel F.; Emmerson, Mark; Estes, James A.; Jacob, Ute; Tinker, M. Tim; Wootton, J. Timothy

2016-01-01

The community matrix is among ecology's most important mathematical abstractions, formally encapsulating the interconnected network of effects that species have on one another's populations. Despite its importance, the term `community matrix' has been applied to matrices having differing interpretations. This has hindered the application of theory for understanding community structure and perturbation responses, particularly in the contexts of ecosystem-based management and conservation. Here we clarify the correspondence and distinctions between the Interaction matrix, the Alpha matrix and the Jacobian matrix, terms which are frequently used interchangeably and have numerous synonyms, including the term Community matrix. We illustrate how these matrices correspond to different ways of characterizing interaction strengths, how they permit insights regarding different types of press perturbations of species growth rates or abundances, and how these are related by a simple scaling relationship. Connections to additional interaction strength characterizations encapsulated by the Beta matrix, the Gamma matrix, and the Removal matrix are also discussed. Our synthesis highlights the empirical challenges that remain in using these mathematical tools to understand actual communities.

Determining Diagonal Branches in Mine Ventilation Networks

NASA Astrophysics Data System (ADS)

Krach, Andrzej

2014-12-01

The present paper discusses determining diagonal branches in a mine ventilation network by means of a method based on the relationship A⊗ PT(k, l) = M, which states that the nodal-branch incidence matrix A, modulo-2 multiplied by the transposed path matrix PT(k, l ) from node no. k to node no. l, yields the matrix M where all the elements in rows k and l - corresponding to the start and the end node - are 1, and where the elements in the remaining rows are 0, exclusively. If a row of the matrix M is to contain only "0" elements, the following condition has to be fulfilled: after multiplying the elements of a row of the matrix A by the elements of a column of the matrix PT(k, l), i.e. by the elements of a proper row of the matrix P(k, l ), the result row must display only "0" elements or an even number of "1" entries, as only such a number of "1" entries yields 0 when modulo-2 added - and since the rows of the matrix A correspond to the graph nodes, and the path nodes level is 2 (apart from the nodes k and l, whose level is 1), then the number of "1" elements in a row has to be 0 or 2. If, in turn, the rows k and l of the matrix M are to contain only "1" elements, the following condition has to be fulfilled: after multiplying the elements of the row k or l of the matrix A by the elements of a column of the matrix PT(k, l), the result row must display an uneven number of "1" entries, as only such a number of "1" entries yields 1 when modulo-2 added - and since the rows of the matrix A correspond to the graph nodes, and the level of the i and j path nodes is 1, then the number of "1" elements in a row has to be 1. The process of determining diagonal branches by means of this method was demonstrated using the example of a simple ventilation network with two upcast shafts and one downcast shaft. W artykule przedstawiono metodę wyznaczania bocznic przekątnych w sieci wentylacyjnej kopalni metodą bazującą na zależności A⊗PT(k, l) = M, która podaje, że macierz incydencji węzłowo bocznicowej A pomnożona modulo 2 przez transponowaną macierz ścieżek PT(k, l) od węzła nr k do węzła nr l daje w wyniku macierz M o takich własnościach że ma same jedynki w wierszach k i l, odpowiadającym węzłom początkowemu i końcowemu i same zera w pozostałych wierszach. Warunkiem na to, aby w wierszu macierzy M były same zera jest aby po pomnożeniu elementów wiersza macierzy A przez elementy kolumny macierzy PT(k, l), czyli przez elementy odpowiedniego wiersza macierzy P(k, l), w wierszu wynikowym były same zera lub parzysta liczba jedynek, ponieważ tylko taka liczba jedynek zsumowana modulo 2 daje w wyniku 0, a ponieważ wiersze macierzy A odpowiadają węzłom grafu, a węzły ścieżki są stopnia 2 (oprócz węzłów k i l, które są stopnia 1), to liczba jedynek w wierszu musi być równa 0 lub 2. Natomiast warunkiem na to, aby w wierszach k i l macierzy M były same jedynki jest aby po pomnożeniu elementów wiersza k lub l macierzy A przez elementy kolumny macierzy PT(k, l) w wierszu wynikowym była nieparzysta liczba jedynek, ponieważ tylko taka liczba jedynek zsumowana modulo 2 daje w wyniku 1, a ponieważ wiersze macierzy A odpowiadają węzłom grafu, a węzły k i j ścieżki są stopnia 1, to liczba jedynek w wierszu musi być równa 1. Wyznaczanie bocznic przekątnych tą metodą pokazano na przykładzie prostej sieci wentylacyjnej z dwoma szybami wydechowymi i jednym wdechowym.

Fast calculation of the sensitivity matrix in magnetic induction tomography by tetrahedral edge finite elements and the reciprocity theorem.

PubMed

Hollaus, K; Magele, C; Merwa, R; Scharfetter, H

2004-02-01

Magnetic induction tomography of biological tissue is used to reconstruct the changes in the complex conductivity distribution by measuring the perturbation of an alternating primary magnetic field. To facilitate the sensitivity analysis and the solution of the inverse problem a fast calculation of the sensitivity matrix, i.e. the Jacobian matrix, which maps the changes of the conductivity distribution onto the changes of the voltage induced in a receiver coil, is needed. The use of finite differences to determine the entries of the sensitivity matrix does not represent a feasible solution because of the high computational costs of the basic eddy current problem. Therefore, the reciprocity theorem was exploited. The basic eddy current problem was simulated by the finite element method using symmetric tetrahedral edge elements of second order. To test the method various simulations were carried out and discussed.

Application of SOJA and InforMatrix in practice: interactive web and workshop tools.

PubMed

Brenninkmeijer, Rob; Janknegt, Robert

2007-10-01

System of Objectified Judgement Analysis (SOJA) and InforMatrix are decision-matrix techniques designed to support a rational selection of drugs. Both SOJA and InforMatrix can be considered as strategic tools in the practical implementation of rational pharmacotherapy. In order to apply the matrix techniques to drug selection, strategic navigation through essential information (with the aim of reaching consensus in pharmacotherapy) is required. The consensus has to be reached in an interactive, communicative, collegial manner, within a professional environment. This environment is realised in the form of interactive applications in workshops and on the internet. Such interactive applications are illustrated and discussed in this article.

25 CFR Appendix A to Subpart C - IRR High Priority Project Scoring Matrix

Code of Federal Regulations, 2010 CFR

2010-04-01

...—IRR High Priority Project Scoring Matrix Score 10 5 3 1 0 Accident and fatality rate for candidate route 1 Severe X Moderate Minimal No accidents. Years since last IRR construction project completed... elements Addresses 1 element. 1 National Highway Traffic Safety Board standards. 2 Total funds requested...

Some Factor Analytic Approximations to Latent Class Structure.

ERIC Educational Resources Information Center

Dziuban, Charles D.; Denton, William T.

Three procedures, alpha, image, and uniqueness rescaling, were applied to a joint occurrence probability matrix. That matrix was the basis of a well-known latent class structure. The values of the recurring subscript elements were varied as follows: Case 1 - The known elements were input; Case 2 - The upper bounds to the recurring subscript…

Neutrinoless double-β decay of 48Ca in the shell model: Closure versus nonclosure approximation

NASA Astrophysics Data System (ADS)

Sen'kov, R. A.; Horoi, M.

2013-12-01

Neutrinoless double-β decay (0νββ) is a unique process that could reveal physics beyond the Standard Model. Essential ingredients in the analysis of 0νββ rates are the associated nuclear matrix elements. Most of the approaches used to calculate these matrix elements rely on the closure approximation. Here we analyze the light neutrino-exchange matrix elements of 48Ca 0νββ decay and test the closure approximation in a shell-model approach. We calculate the 0νββ nuclear matrix elements for 48Ca using both the closure approximation and a nonclosure approach, and we estimate the uncertainties associated with the closure approximation. We demonstrate that the nonclosure approach has excellent convergence properties which allow us to avoid unmanageable computational cost. Combining the nonclosure and closure approaches we propose a new method of calculation for 0νββ decay rates which can be applied to the 0νββ decay rates of heavy nuclei, such as 76Ge or 82Se.

Neutrinoless double beta decay and chiral SU(3)

DOE PAGES

Cirigliano, Vincenzo; Dekens, Wouter Gerard; Graesser, Michael Lawrence; ...

2017-04-14

TeV-scale lepton number violation can affect neutrinoless double beta decay through dimension-9 ΔL=ΔI=2 operators involving two electrons and four quarks. Since the dominant effects within a nucleus are expected to arise from pion exchange, the π -→π +ee matrix elements of the dimension-9 operators are a key hadronic input. Here in this letter we provide estimates for the π -→π + matrix elements of all Lorentz scalar ΔI=2 four-quark operators relevant to the study of TeV-scale lepton number violation. The analysis is based on chiral SU(3) symmetry, which relates the π -→π + matrix elements of the ΔI=2 operators to themore » $K$ 0→$$\\bar{K}$$ 0 and K→ππ matrix elements of their ΔS=2 and ΔS=1 chiral partners, for which lattice QCD input is available. The inclusion of next-to-leading order chiral loop corrections to all symmetry relations used in the analysis makes our results robust at the 30% level or better, depending on the operator.« less

A computer code for calculations in the algebraic collective model of the atomic nucleus

NASA Astrophysics Data System (ADS)

Welsh, T. A.; Rowe, D. J.

2016-03-01

A Maple code is presented for algebraic collective model (ACM) calculations. The ACM is an algebraic version of the Bohr model of the atomic nucleus, in which all required matrix elements are derived by exploiting the model's SU(1 , 1) × SO(5) dynamical group. This paper reviews the mathematical formulation of the ACM, and serves as a manual for the code. The code enables a wide range of model Hamiltonians to be analysed. This range includes essentially all Hamiltonians that are rational functions of the model's quadrupole moments qˆM and are at most quadratic in the corresponding conjugate momenta πˆN (- 2 ≤ M , N ≤ 2). The code makes use of expressions for matrix elements derived elsewhere and newly derived matrix elements of the operators [ π ˆ ⊗ q ˆ ⊗ π ˆ ] 0 and [ π ˆ ⊗ π ˆ ] LM. The code is made efficient by use of an analytical expression for the needed SO(5)-reduced matrix elements, and use of SO(5) ⊃ SO(3) Clebsch-Gordan coefficients obtained from precomputed data files provided with the code.

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.

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

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

MOON for neutrino-less {beta}{beta} decays and {beta}{beta} nuclear matrix elements

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

Ejiri, H.

2009-11-09

The MOON project aims at spectroscopic 0v{beta}{beta} studies with the v-mass sensitivity of 100-30 meV by measuring two beta rays from {sup 100}Mo and/or {sup 82}Se. The detector is a compact super-module of multi-layer PL scintillator plates. R and D works made by the pro to-type MOON-1 and the small PL plate show the possible energy resolution of around {sigma}{approx}2.2%, as required for the mass sensitivity. Nuclear matrix elements M{sup 2v} for 2v{beta}{beta} are shown to be given by the sum {sigma}{sub L}M{sub k} of the 2v{beta}{beta} matrix elements M{sub k} through intermediate quasi-particle states in the Fermi-surface, where Mimore » is obtained experimentally by using the GT(J{sup {pi}} = 1{sup +}) matrix elements of M{sub i}(k) and M{sub f}(k) for the successive single-{beta} transitions through the k-th intermediate state.« less

0 ν β β -decay nuclear matrix element for light and heavy neutrino mass mechanisms from deformed quasiparticle random-phase approximation calculations for 76Ge, 82Se, 130Te, 136Xe, and 150Nd with isospin restoration

NASA Astrophysics Data System (ADS)

Fang, Dong-Liang; Faessler, Amand; Šimkovic, Fedor

2018-04-01

In this paper, with restored isospin symmetry, we evaluated the neutrinoless double-β -decay nuclear matrix elements for 76Ge, 82Se, 130Te, 136Xe, and 150Nd for both the light and heavy neutrino mass mechanisms using the deformed quasiparticle random-phase approximation approach with realistic forces. We give detailed decompositions of the nuclear matrix elements over different intermediate states and nucleon pairs, and discuss how these decompositions are affected by the model space truncations. Compared to the spherical calculations, our results show reductions from 30 % to about 60 % of the nuclear matrix elements for the calculated isotopes mainly due to the presence of the BCS overlap factor between the initial and final ground states. The comparison between different nucleon-nucleon (NN) forces with corresponding short-range correlations shows that the choice of the NN force gives roughly 20 % deviations for the light exchange neutrino mechanism and much larger deviations for the heavy neutrino exchange mechanism.

Nonlinear Legendre Spectral Finite Elements for Wind Turbine Blade Dynamics: Preprint

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

Wang, Q.; Sprague, M. A.; Jonkman, J.

2014-01-01

This paper presents a numerical implementation and examination of new wind turbine blade finite element model based on Geometrically Exact Beam Theory (GEBT) and a high-order spectral finite element method. The displacement-based GEBT is presented, which includes the coupling effects that exist in composite structures and geometric nonlinearity. Legendre spectral finite elements (LSFEs) are high-order finite elements with nodes located at the Gauss-Legendre-Lobatto points. LSFEs can be an order of magnitude more efficient that low-order finite elements for a given accuracy level. Interpolation of the three-dimensional rotation, a major technical barrier in large-deformation simulation, is discussed in the context ofmore » LSFEs. It is shown, by numerical example, that the high-order LSFEs, where weak forms are evaluated with nodal quadrature, do not suffer from a drawback that exists in low-order finite elements where the tangent-stiffness matrix is calculated at the Gauss points. Finally, the new LSFE code is implemented in the new FAST Modularization Framework for dynamic simulation of highly flexible composite-material wind turbine blades. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples showing validation and LSFE performance will be provided in the final paper.« less

Two modulator generalized ellipsometer for complete mueller matrix measurement

DOEpatents

Jellison, Jr., Gerald E.; Modine, Frank A.

1999-01-01

A two-modulator generalized ellipsometer (2-MGE) comprising two polarizer-photoelastic modulator (PEM) pairs, an optical light source, an optical detection system, and associated data processing and control electronics, where the PEMs are free-running. The input light passes through the first polarizer-PEM pair, reflects off the sample surface or passes through the sample, passes through the second PEM-polarizer pair, and is detected. Each PEM is free running and operates at a different resonant frequency, e.g., 50 and 60 kHz. The resulting time-dependent waveform of the light intensity is a complicated function of time, and depends upon the exact operating frequency and phase of each PEM, the sample, and the azimuthal angles of the polarizer-PEM pairs, but can be resolved into a dc component and eight periodic components. In one embodiment, the waveform is analyzed using a new spectral analysis technique that is similar to Fourier analysis to determine eight sample Mueller matrix elements (normalized to the m.sub.00 Mueller matrix element). The other seven normalized elements of the general 4.times.4 Mueller matrix can be determined by changing the azimuthal angles of the PEM-polarizer pairs with respect to the plane of incidence. Since this instrument can measure all elements of the sample Mueller matrix, it is much more powerful than standard ellipsometers.

Assessment of a hybrid finite element-transfer matrix model for flat structures with homogeneous acoustic treatments.

PubMed

Alimonti, Luca; Atalla, Noureddine; Berry, Alain; Sgard, Franck

2014-05-01

Modeling complex vibroacoustic systems including poroelastic materials using finite element based methods can be unfeasible for practical applications. For this reason, analytical approaches such as the transfer matrix method are often preferred to obtain a quick estimation of the vibroacoustic parameters. However, the strong assumptions inherent within the transfer matrix method lead to a lack of accuracy in the description of the geometry of the system. As a result, the transfer matrix method is inherently limited to the high frequency range. Nowadays, hybrid substructuring procedures have become quite popular. Indeed, different modeling techniques are typically sought to describe complex vibroacoustic systems over the widest possible frequency range. As a result, the flexibility and accuracy of the finite element method and the efficiency of the transfer matrix method could be coupled in a hybrid technique to obtain a reduction of the computational burden. In this work, a hybrid methodology is proposed. The performances of the method in predicting the vibroacoutic indicators of flat structures with attached homogeneous acoustic treatments are assessed. The results prove that, under certain conditions, the hybrid model allows for a reduction of the computational effort while preserving enough accuracy with respect to the full finite element solution.

SYMBMAT: Symbolic computation of quantum transition matrix elements

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.

2012-08-01

We have developed a set of Mathematica notebooks to compute symbolically quantum transition matrices relevant for atomic ionization processes. The utilization of a symbolic language allows us to obtain analytical expressions for the transition matrix elements required in charged-particle and laser induced ionization of atoms. Additionally, by using a few simple commands, it is possible to export these symbolic expressions to standard programming languages, such as Fortran or C, for the subsequent computation of differential cross sections or other observables. One of the main drawbacks in the calculation of transition matrices is the tedious algebraic work required when initial states other than the simple hydrogenic 1s state need to be considered. Using these notebooks the work is dramatically reduced and it is possible to generate exact expressions for a large set of bound states. We present explicit examples of atomic collisions (in First Born Approximation and Distorted Wave Theory) and laser-matter interactions (within the Dipole and Strong Field Approximations and different gauges) using both hydrogenic wavefunctions and Slater-Type Orbitals with arbitrary nlm quantum numbers as initial states. Catalogue identifier: AEMI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 71 628 No. of bytes in distributed program, including test data, etc.: 444 195 Distribution format: tar.gz Programming language: Mathematica Computer: Single machines using Linux or Windows (with cores with any clock speed, cache memory and bits in a word) Operating system: Any OS that supports Mathematica. The notebooks have been tested under Windows and Linux and with versions 6.x, 7.x and 8.x Classification: 2.6 Nature of problem: The notebooks generate analytical expressions for quantum transition matrix elements required in diverse atomic processes: ionization by ion, electron, or photon impact and ionization within the framework of strong field physics. In charged-particle collisions approaches based on perturbation theory enjoy widespread utilization. Accordingly, we have chosen the First Born Approximation and Distorted Wave theories as examples. In light-matter interactions, the main ingredient for many types of calculations is the dipole transition matrix in its different formulations, i.e. length, velocity, and acceleration gauges. In all these cases the transitions of interest occur between a bound state and a continuum state which can be described in different ways. With the notebooks developed in the present work it is possible to calculate transition matrix elements analytically for any set of quantum numbers nlm of initial hydrogenic states or Slater-Type Orbitals and for plane waves or Coulomb waves as final continuum states. Solution method: The notebooks employ symbolic computation to generate analytical expressions for transition matrix elements used in both collision and light-matter interaction physics. fba_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the First Born Approximation (FBA). The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a plane wave (PW) or a Coulomb wave (CW). distorted_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in Distorted Wave (DW) theories. The transitions considered are from a (distorted) bound hydrogenic state with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the Strong Field Approximation (SFA)) or a CW (the Coulomb-Volkov Approximation (CVA)). dipoleVelocity_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). For the case of the CVA we only include the transition from the 1s state to a continuum state represented by a CW. fba_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the FBA. The transitions considered are from a Slater-Type Orbital (STO) with arbitrary quantum numbers nlm to a continuum state represented by a PW or a CW. distorted_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in DW theories. The transitions considered are from a (distorted) STO with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleVelocity_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). The symbolic expressions obtained within each notebook can be exported to standard programming languages such as Fortran or C using the Format.m package (see the text and Ref. Sofroniou (1993) [16] for details). Running time: Computational times vary according to the transition matrix selected and quantum numbers nlm of the initial state used. The typical running time is several minutes, but it will take longer for large values of nlm.

Optimization of Coil Element Configurations for a Matrix Gradient Coil.

PubMed

Kroboth, Stefan; Layton, Kelvin J; Jia, Feng; Littin, Sebastian; Yu, Huijun; Hennig, Jurgen; Zaitsev, Maxim

2018-01-01

Recently, matrix gradient coils (also termed multi-coils or multi-coil arrays) were introduced for imaging and B 0 shimming with 24, 48, and even 84 coil elements. However, in imaging applications, providing one amplifier per coil element is not always feasible due to high cost and technical complexity. In this simulation study, we show that an 84-channel matrix gradient coil (head insert for brain imaging) is able to create a wide variety of field shapes even if the number of amplifiers is reduced. An optimization algorithm was implemented that obtains groups of coil elements, such that a desired target field can be created by driving each group with an amplifier. This limits the number of amplifiers to the number of coil element groups. Simulated annealing is used due to the NP-hard combinatorial nature of the given problem. A spherical harmonic basis set up to the full third order within a sphere of 20-cm diameter in the center of the coil was investigated as target fields. We show that the median normalized least squares error for all target fields is below approximately 5% for 12 or more amplifiers. At the same time, the dissipated power stays within reasonable limits. With a relatively small set of amplifiers, switches can be used to sequentially generate spherical harmonics up to third order. The costs associated with a matrix gradient coil can be lowered, which increases the practical utility of matrix gradient coils.

A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

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

Freeman, John

A measurement of the top quark mass in tmore » $$\\bar{t}$$ → l + jets candidate events, obtained from p$$\\bar{p}$$ collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t$$\\bar{t}$$ production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb -1 data sample, using events with a high-p T lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find M meas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c 2.« less

Cellular reflectarray antenna and method of making same

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R (Inventor)

2011-01-01

A method of manufacturing a cellular reflectarray antenna arranged in an m by n matrix of radiating elements for communication with a satellite includes steps of determining a delay .phi.m,n for each of said m by n matrix of elements of said cellular reflectarray antenna using sub-steps of: determining the longitude and latitude of operation, determining elevation and azimuth angles of the reflectarray with respect to the satellite and converting theta.sub.0 (.theta..sub.0) and phi.sub.0 (.phi..sub.0), determining .DELTA..beta..sub.m,n, the pointing vector correction, for a given inter-element spacing and wavelength, determining .DELTA..phi..sub.m,n, the spherical wave front correction factor, for a given radius from the central element and/or from measured data from the feed horn; and, determining a delay .phi.m,n for each of said m by n matrix of elements as a function of .DELTA..beta..sub.m,n and .DELTA..phi..sub.m,n.

Cellular reflectarray antenna and method of making same

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R (Inventor)

2010-01-01

A method of manufacturing a cellular reflectarray antenna arranged in an m by n matrix of radiating elements for communication with a satellite includes steps of determining a delay .phi.m,n for each of said m by n matrix of elements of said cellular reflectarray antenna using sub-steps of: determining the longitude and latitude of operation, determining elevation and azimuth angles of the reflectarray with respect to the satellite and converting theta.sub.0 (.theta..sub.0) and phi.sub.0 (.phi..sub.0), determining .DELTA..beta..sub.m,n, the pointing vector correction, for a given inter-element spacing and wavelength, determining .DELTA..phi..sub.m,n, the spherical wave front correction factor, for a given radius from the central element and/or from measured data from the feed horn; and, determining a delay .phi.m,n for each of said m by n matrix of elements as a function of .DELTA..beta..sub.m,n and .DELTA..phi..sub.m,n..

Dispersoid reinforced alloy powder and method of making

DOEpatents

Anderson, Iver E; Rieken, Joel

2013-12-10

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with an introduced reactive species than does the alloying element and wherein one or more atomizing parameters is/are modified to controllably reduce the amount of the reactive species, such as oxygen, introduced into the atomized particles so as to reduce anneal times and improve reaction (conversion) to the desired strengthening dispersoids in the matrix. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies are made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.

Organic matrix-related mineralization of sea urchin spicules, spines, test and teeth.

PubMed

Veis, Arthur

2011-06-01

The camarodont echinoderms have five distinct mineralized skeletal elements: embryonic spicules, mature test, spines, lantern stereom and teeth. The spicules are transient structural elements whereas the spines, and test plates are permanent. The teeth grow continuously. The mineral is a high magnesium calcite, but the magnesium content is different in each type of skeletal element, varying from 5 to 40 mole% Mg. The organic matrix creates the spaces and environments for crystal initiation and growth. The detailed mechanisms of crystal regulation are not known, but acidic and phosphorylated matrix proteins may be of special importance. Biochemical studies, sequencing of the complete genome, and high-throughput proteomic analysis have not yet provided insight into the mechanisms of crystallization, calcite composition, and orientation applicable to all skeletal elements. The embryonic spicules are not representative of the mature skeletal elements. The next phase of research will have to focus on the specific localization of the proteins and individual biochemistries of each system with regard to mineral content and placement.

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

Bazavov, A.; Bernard, C.; Bouchard, C. M.

We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B 0- and B s-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where themore » second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |V td| = 8.00(34)(8)×10 -3, |V ts| = 39.0(1.2)(0.4)×10 -3, and |V td/V ts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

High Temperature Deformation Mechanism in Hierarchical and Single Precipitate Strengthened Ferritic Alloys by In Situ Neutron Diffraction Studies.

PubMed

Song, Gian; Sun, Zhiqian; Li, Lin; Clausen, Bjørn; Zhang, Shu Yan; Gao, Yanfei; Liaw, Peter K

2017-04-07

The ferritic Fe-Cr-Ni-Al-Ti alloys strengthened by hierarchical-Ni 2 TiAl/NiAl or single-Ni 2 TiAl precipitates have been developed and received great attentions due to their superior creep resistance, as compared to conventional ferritic steels. Although the significant improvement of the creep resistance is achieved in the hierarchical-precipitate-strengthened ferritic alloy, the in-depth understanding of its high-temperature deformation mechanisms is essential to further optimize the microstructure and mechanical properties, and advance the development of the creep resistant materials. In the present study, in-situ neutron diffraction has been used to investigate the evolution of elastic strain of constitutive phases and their interactions, such as load-transfer/load-relaxation behavior between the precipitate and matrix, during tensile deformation and stress relaxation at 973 K, which provide the key features in understanding the governing deformation mechanisms. Crystal-plasticity finite-element simulations were employed to qualitatively compare the experimental evolution of the elastic strain during tensile deformation at 973 K. It was found that the coherent elastic strain field in the matrix, created by the lattice misfit between the matrix and precipitate phases for the hierarchical-precipitate-strengthened ferritic alloy, is effective in reducing the diffusional relaxation along the interface between the precipitate and matrix phases, which leads to the strong load-transfer capability from the matrix to precipitate.

Mathematical Modeling of Cancer Invasion: The Role of Membrane-Bound Matrix Metalloproteinases

PubMed Central

Deakin, Niall E.; Chaplain, Mark A. J.

2013-01-01

One of the hallmarks of cancer growth and metastatic spread is the process of local invasion of the surrounding tissue. Cancer cells achieve protease-dependent invasion by the secretion of enzymes involved in proteolysis. These overly expressed proteolytic enzymes then proceed to degrade the host tissue allowing the cancer cells to disseminate throughout the microenvironment by active migration and interaction with components of the extracellular matrix (ECM) such as collagen. In this paper we develop a mathematical model of cancer invasion which consider the role of matrix metalloproteinases (MMPs). Specifically our model will focus on two distinct types of MMP, i.e., soluble, diffusible MMPs (e.g., MMP-2) and membrane-bound MMPs (e.g., MT1-MMP), and the roles each of these plays in cancer invasion. The implications of MMP-2 activation by MMP-14 and the tissue inhibitor of metalloproteinases-2 are considered alongside the effect the architecture of the matrix may have when applied to a model of cancer invasion. Elements of the ECM architecture investigated include pore size of the matrix, since in some highly dense collagen structures such as breast tissue, the cancer cells are unable to physically fit through a porous region, and the crosslinking of collagen fibers. In this scenario, cancer cells rely on membrane-bound MMPs to forge a path through which degradation by other MMPs and movement of cancer cells becomes possible. PMID:23565505

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

Mineo, H.; Kuo, J. L.; Niu, Y. L.

The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H{sub 2}O){sub 2} and (D{sub 2}O){sub 2}, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants weremore » calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H{sub 2}O){sub 2} ((D{sub 2}O){sub 2}). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.« less

Coil-to-coil physiological noise correlations and their impact on functional MRI time-series signal-to-noise ratio.

PubMed

Triantafyllou, Christina; Polimeni, Jonathan R; Keil, Boris; Wald, Lawrence L

2016-12-01

Physiological nuisance fluctuations ("physiological noise") are a major contribution to the time-series signal-to-noise ratio (tSNR) of functional imaging. While thermal noise correlations between array coil elements have a well-characterized effect on the image Signal to Noise Ratio (SNR 0 ), the element-to-element covariance matrix of the time-series fluctuations has not yet been analyzed. We examine this effect with a goal of ultimately improving the combination of multichannel array data. We extend the theoretical relationship between tSNR and SNR 0 to include a time-series noise covariance matrix Ψ t , distinct from the thermal noise covariance matrix Ψ 0 , and compare its structure to Ψ 0 and the signal coupling matrix SS H formed from the signal intensity vectors S. Inclusion of the measured time-series noise covariance matrix into the model relating tSNR and SNR 0 improves the fit of experimental multichannel data and is shown to be distinct from Ψ 0 or SS H . Time-series noise covariances in array coils are found to differ from Ψ 0 and more surprisingly, from the signal coupling matrix SS H . Correct characterization of the time-series noise has implications for the analysis of time-series data and for improving the coil element combination process. Magn Reson Med 76:1708-1719, 2016. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Testing Refinement Criteria in Adaptive Discontinuous Galerkin Simulations of Dry Atmospheric Convection

DTIC Science & Technology

2011-12-22

matrix Mik = ∫ Ωe ψiψkdΩ; for the sake of simplicity, we did not write the dependence on x of the basis functions although it should be understood that the...polynomial order N throughout all the elements Ωe in the domain Ω = ⋃Ne e =1 Ωe and if we insist that the elements have straight edges, then the matrix M−1...µlim to change between different elements. The total viscosity parameter for each element e is given by µe = max (µtc, µlim, e ) , (25) 7 where µtc is

Experimental and analytical analysis of stress-strain behavior in a (90/0 deg)2s, SiC/Ti-15-3 laminate

NASA Technical Reports Server (NTRS)

Lerch, Bradley A.; Melis, Matthew E.; Tong, Mike

1991-01-01

The nonlinear stress strain behavior of 90 degree/0 degree sub 2s, SiC/Ti-15-3 composite laminate was numerically investigated with a finite element, unit cell approach. Tensile stress-strain curves from room temperature experiments depicted three distinct regions of deformation, and these regions were predicted by finite element analysis. The first region of behavior, which was linear elastic, occurred at low applied stresses. As applied stresses increased, fiber/matrix debonding in the 90 degree plies caused a break in the stress-strain curve and initiated a second linear region. In this second region, matrix plasticity in the 90 degree plies developed. The third region, which was typified by nonlinear, stress-strain behavior occr red at high stresses. In this region, the onset of matrix plasticity in the 0 degree plies stiffened the laminate in the direction transverse to the applied load. Metallographic sections confirmed the existence of matrix plasticity in specific areas of the structure. Finite element analysis also predicted these locations of matrix slip.

High power x-ray welding of metal-matrix composites

DOEpatents

Rosenberg, Richard A.; Goeppner, George A.; Noonan, John R.; Farrell, William J.; Ma, Qing

1999-01-01

A method for joining metal-matrix composites (MMCs) by using high power x-rays as a volumetric heat source is provided. The method involves directing an x-ray to the weld line between two adjacent MMCs materials to create an irradiated region or melt zone. The x-rays have a power density greater than about 10.sup.4 watts/cm.sup.2 and provide the volumetric heat required to join the MMC materials. Importantly, the reinforcing material of the metal-matrix composites remains uniformly distributed in the melt zone, and the strength of the MMCs are not diminished. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys.

Wave bandgap formation and its evolution in two-dimensional phononic crystals composed of rubber matrix with periodic steel quarter-cylinders

NASA Astrophysics Data System (ADS)

Li, Peng; Wang, Guan; Luo, Dong; Cao, Xiaoshan

2018-02-01

The band structure of a two-dimensional phononic crystal, which is composed of four homogenous steel quarter-cylinders immersed in rubber matrix, is investigated and compared with the traditional steel/rubber crystal by the finite element method (FEM). It is revealed that the frequency can then be tuned by changing the distance between adjacent quarter-cylinders. When the distance is relatively small, the integrality of scatterers makes the inner region inside them almost motionless, so that they can be viewed as a whole at high-frequencies. In the case of relatively larger distance, the interaction between each quarter-cylinder and rubber will introduce some new bandgaps at relatively low-frequencies. Lastly, the point defect states induced by the four quarter-cylinders are revealed. These results will be helpful in fabricating devices, such as vibration insulators and acoustic/elastic filters, whose band frequencies can be manipulated artificially.

Single and double beta decays in the A=100, A=116 and A=128 triplets of isobars

NASA Astrophysics Data System (ADS)

Suhonen, J.; Civitarese, O.

2014-04-01

In this paper we analyze the ground-state-to-ground-state two-neutrino double beta (2νββ) decays and single EC and β- decays for the A=100 (100Mo-100Tc-100Ru), A=116 (116Cd-116In-116Sn) and A=128 (128Te-128I-128Xe) triplets of isobars. We use the proton-neutron quasiparticle random-phase approximation (pnQRPA) with realistic G-matrix-derived effective interactions in very large single-particle bases. The purpose is to access the effective value of the axial-vector coupling constant gA in the pnQRPA calculations. We show that the three triplets of isobars represent systems with different characteristics of orbital occupancies and cumulative 2νββ nuclear matrix elements. Our analysis points to a considerably quenched averaged effective value of ≈0.6±0.2 in the pnQRPA calculations.

Hydrothermal transformations in an aluminophosphate glass matrix containing simulators of high-level radioactive wastes

NASA Astrophysics Data System (ADS)

Yudintsev, S. V.; Mal'kovsky, V. I.; Mokhov, A. V.

2016-05-01

The interaction of aluminophosphate glass with water at 95°C for 35 days results in glass heterogenization and in the appearance of a gel layer and various phases. The leaching rate of elements is low owing to the formation of a protective layer on the glass surface. It is shown that over 80% of uranium leached from the glass matrix occurs as colloids below 450 nm in size characterized by high migration ability in the geological environment. To determine the composition of these colloids is a primary task for further studies. Water vapor is a crystallization factor for glasses. The conditions as such may appear even at early stages of glass storage because of the failure of seals on containers of high-level radioactive wastes. The examination of water resistance of crystallized matrices and determination of the fraction of radionuclide in colloids are also subjects for further studies.

Long term fine aerosol analysis by XRF and PIXE techniques in the city of Rijeka, Croatia

NASA Astrophysics Data System (ADS)

Ivošević, Tatjana; Orlić, Ivica; Radović, Iva Bogdanović

2015-11-01

The results of a long term, multi elemental XRF and PIXE analysis of fine aerosol pollution in the city of Rijeka, Croatia, are reported for the first time. The samples were collected during a seven months period (6th Aug 2013-28th Feb 2014) on thin stretched Teflon filters and analyzed by energy dispersive X-ray fluorescence (EDXRF) at the Laboratory for Elemental Micro-Analysis (LEMA), University of Rijeka and by Particle Induced X-ray Emission (PIXE) using 1.6 MeV protons at the Laboratory for Ion Beam Interactions (LIBI), Ruđer Bošković Institute, Zagreb. The newly developed micro-XRF system at LEMA provided results for 19 elements in the range from Si to Pb. The PIXE at the LIBI provided information for the same elements as well for the light elements such as Na, Mg and Al. Black carbon was determined with the Laser Integrated Plate Method (LIPM). The results were statistically evaluated by means of the positive matrix factorization (PMF). The seven major pollution sources were identified together with their relative contributions, these are: secondary sulfates, road traffic, smoke, road dust, sea spray, ship emissions and soil dust.

Pulmonary immunity and extracellular matrix interactions.

PubMed

O'Dwyer, David N; Gurczynski, Stephen J; Moore, Bethany B

2018-04-09

The lung harbors a complex immune system composed of both innate and adaptive immune cells. Recognition of infection and injury by receptors on lung innate immune cells is crucial for generation of antigen-specific responses by adaptive immune cells. The extracellular matrix of the lung, comprising the interstitium and basement membrane, plays a key role in the regulation of these immune systems. The matrix consists of several hundred assembled proteins that interact to form a bioactive scaffold. This template, modified by enzymes, acts to facilitate cell function and differentiation and changes dynamically with age and lung disease. Herein, we explore relationships between innate and adaptive immunity and the lung extracellular matrix. We discuss the interactions between extracellular matrix proteins, including glycosaminoglycans, with prominent effects on innate immune signaling effectors such as toll-like receptors. We describe the relationship of extracellular matrix proteins with adaptive immunity and leukocyte migration to sites of injury within the lung. Further study of these interactions will lead to greater knowledge of the role of matrix biology in lung immunity. The development of novel therapies for acute and chronic lung disease is dependent on a comprehensive understanding of these complex matrix-immunity interactions. Copyright © 2017 International Society of Matrix Biology. Published by Elsevier B.V. All rights reserved.

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions.

PubMed

Harris, Frank E

2016-05-28

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance rij. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.

Battery element and method for making same

NASA Technical Reports Server (NTRS)

Clough, Thomas J. (Inventor); Pinsky, Naum (Inventor)

1989-01-01

In a method for producing a battery element useful as at least a positive plate in a lead-acid battery, the element comprising a fluid impervious, electrically conductive matrix having mutually opposing first and second surfaces and positive active electrode material associated with the first surface of the matrix, the improvement which comprises: conditioning the first surface to enhance the association of the positive active electrode material and the first surface; and applying and associating the positive active electrode material to the first surface.

Activated phosphors having matrices of yttrium-transition metal compound

DOEpatents

De Kalb, E.L.; Fassel, V.A.

1975-07-01

A method is described for preparing a phosphor composition containing a lanthanide activator element with a host matrix having a transition element as a major component. The host matrix is composed of certain rare earth phosphates or vanadates such as YPO$sub 4$ with a portion of the rare earth replaced with one or more of the transition elements. On x-ray or other electromagnetic excitation, trace lanthanide impurities or additives within the phosphor are spectrometrically determined from their characteristic luminescence. (auth)

Adinkras from ordered quartets of BC4 Coxeter group elements and regarding 1,358,954,496 matrix elements of the Gadget

NASA Astrophysics Data System (ADS)

Gates, S. James; Guyton, Forrest; Harmalkar, Siddhartha; Kessler, David S.; Korotkikh, Vadim; Meszaros, Victor A.

2017-06-01

We examine values of the Adinkra Holoraumy-induced Gadget representation space metric over all possible four-color, four-open node, and four-closed node adinkras. Of the 1,358,954,496 gadget matrix elements, only 226,492,416 are non-vanishing and take on one of three values: -1/3, 1/3, or 1 and thus a subspace isomorphic to a description of a body-centered tetrahedral molecule emerges.

The New Multi-HAzard and MulTi-RIsK Assessment MethodS for Europe (MATRIX) Project - An overview of its major findings

NASA Astrophysics Data System (ADS)

Fleming, Kevin; Zschau, Jochen; Gasparini, Paolo

2014-05-01

Recent major natural disasters, such as the 2011 Tōhoku earthquake, tsunami and subsequent Fukushima nuclear accident, have raised awareness of the frequent and potentially far-reaching interconnections between natural hazards. Such interactions occur at the hazard level, where an initial hazard may trigger other events (e.g., an earthquake triggering a tsunami) or several events may occur concurrently (or nearly so), e.g., severe weather around the same time as an earthquake. Interactions also occur at the vulnerability level, where the initial event may make the affected community more susceptible to the negative consequences of another event (e.g., an earthquake weakens buildings, which are then damaged further by windstorms). There is also a temporal element involved, where changes in exposure may alter the total risk to a given area. In short, there is the likelihood that the total risk estimated when considering multiple hazard and risks and their interactions is greater than the sum of their individual parts. It is with these issues in mind that the European Commission, under their FP7 program, supported the New Multi-HAzard and MulTi-RIsK Assessment MethodS for Europe or MATRIX project (10.2010 to 12.2013). MATRIX set out to tackle multiple natural hazards (i.e., those of concern to Europe, namely earthquakes, landslides, volcanos, tsunamis, wild fires, storms and fluvial and coastal flooding) and risks within a common theoretical framework. The MATRIX work plan proceeded from an assessment of single-type risk methodologies (including how uncertainties should be treated), cascade effects within a multi-hazard environment, time-dependent vulnerability, decision making and support for multi-hazard mitigation and adaption, and an assessment of how the multi-hazard and risk viewpoint may be integrated into current decision making and risk mitigation programs, considering the existing single-hazard and risk focus. Three test sites were considered during the project: Naples, Cologne, and the French West Indies. In addition, a software platform, the MATRIX-Common IT sYstem (MATRIX-CITY), was developed to allow the evaluation of characteristic multi-hazard and risk scenarios in comparison to single-type analyses. This presentation therefore outlines the more significant outcomes of the project, in particular those dealing with the harmonization of single-type hazards, cascade event analysis, time-dependent vulnerability changes and the response of the disaster management community to the MATRIX point of view.

An efficient implementation of a high-order filter for a cubed-sphere spectral element model

NASA Astrophysics Data System (ADS)

Kang, Hyun-Gyu; Cheong, Hyeong-Bin

2017-03-01

A parallel-scalable, isotropic, scale-selective spatial filter was developed for the cubed-sphere spectral element model on the sphere. The filter equation is a high-order elliptic (Helmholtz) equation based on the spherical Laplacian operator, which is transformed into cubed-sphere local coordinates. The Laplacian operator is discretized on the computational domain, i.e., on each cell, by the spectral element method with Gauss-Lobatto Lagrange interpolating polynomials (GLLIPs) as the orthogonal basis functions. On the global domain, the discrete filter equation yielded a linear system represented by a highly sparse matrix. The density of this matrix increases quadratically (linearly) with the order of GLLIP (order of the filter), and the linear system is solved in only O (Ng) operations, where Ng is the total number of grid points. The solution, obtained by a row reduction method, demonstrated the typical accuracy and convergence rate of the cubed-sphere spectral element method. To achieve computational efficiency on parallel computers, the linear system was treated by an inverse matrix method (a sparse matrix-vector multiplication). The density of the inverse matrix was lowered to only a few times of the original sparse matrix without degrading the accuracy of the solution. For better computational efficiency, a local-domain high-order filter was introduced: The filter equation is applied to multiple cells, and then the central cell was only used to reconstruct the filtered field. The parallel efficiency of applying the inverse matrix method to the global- and local-domain filter was evaluated by the scalability on a distributed-memory parallel computer. The scale-selective performance of the filter was demonstrated on Earth topography. The usefulness of the filter as a hyper-viscosity for the vorticity equation was also demonstrated.

Local delamination in laminates with angle ply matrix cracks. Part 1: Tension tests and stress analysis

NASA Technical Reports Server (NTRS)

Obrien, T. Kevin; Hooper, S. J.

1991-01-01

Quasi-static tension tests were conducted on AS4/3501-6 graphite epoxy laminates. Dye penetrant enhanced x-radiography was used to document the onset of matrix cracking and the onset of local delaminations at the intersection of the matrix cracks and the free edge. Edge micrographs taken after the onset of damage were used to verify the location of the matrix cracks and local delamination through the laminate thickness. A quasi-3D finite element analysis was conducted to calculate the stresses responsible for matrix cracking in the off-axis plies. Laminated plate theory indicated that the transverse normal stresses were compressive. However, the finite element analysis yielded tensile transverse normal stresses near the free edge. Matrix cracks formed in the off-axis plies near the free edge where in-plane transverse stresses were tensile and had their greatest magnitude. The influence of the matrix crack on interlaminar stresses is also discussed.

Three-dimensional finite element modeling of pericellular matrix and cell mechanics in the nucleus pulposus of the intervertebral disk based on in situ morphology.

PubMed

Cao, Li; Guilak, Farshid; Setton, Lori A

2011-02-01

Nucleus pulposus (NP) cells of the intervertebral disk (IVD) have unique morphological characteristics and biologic responses to mechanical stimuli that may regulate maintenance and health of the IVD. NP cells reside as single cell, paired or multiple cells in a contiguous pericellular matrix (PCM), whose structure and properties may significantly influence cell and extracellular matrix mechanics. In this study, a computational model was developed to predict the stress-strain, fluid pressure and flow fields for cells and their surrounding PCM in the NP using three-dimensional (3D) finite element models based on the in situ morphology of cell-PCM regions of the mature rat NP, measured using confocal microscopy. Three-dimensional geometries of the extracellular matrix and representative cell-matrix units were used to construct 3D finite element models of the structures as isotropic and biphasic materials. In response to compressive strain of the extracellular matrix, NP cells and PCM regions were predicted to experience volumetric strains that were 1.9-3.7 and 1.4-2.1 times greater than the extracellular matrix, respectively. Volumetric and deviatoric strain concentrations were generally found at the cell/PCM interface, while von Mises stress concentrations were associated with the PCM/extracellular matrix interface. Cell-matrix units containing greater cell numbers were associated with higher peak cell strains and lower rates of fluid pressurization upon loading. These studies provide new model predictions for micromechanics of NP cells that can contribute to an understanding of mechanotransduction in the IVD and its changes with aging and degeneration.

Clinopyroxene-melt element partitioning during interaction between trachybasaltic magma and siliceous crust: Clues from quartzite enclaves at Mt. Etna volcano

NASA Astrophysics Data System (ADS)

Mollo, S.; Blundy, J. D.; Giacomoni, P.; Nazzari, M.; Scarlato, P.; Coltorti, M.; Langone, A.; Andronico, D.

2017-07-01

A peculiar characteristic of the paroxysmal sequence that occurred on March 16, 2013 at the New South East Crater of Mt. Etna volcano (eastern Sicily, Italy) was the eruption of siliceous crustal xenoliths representative of the sedimentary basement beneath the volcanic edifice. These xenoliths are quartzites that occur as subspherical bombs enclosed in a thin trachybasaltic lava envelope. At the quartzite-magma interface a reaction corona develops due to the interaction between the Etnean trachybasaltic magma and the partially melted quartzite. Three distinct domains are observed: (i) the trachybasaltic lava itself (Zone 1), including Al-rich clinopyroxene phenocrysts dispersed in a matrix glass, (ii) the hybrid melt (Zone 2), developing at the quartzite-magma interface and feeding the growth of newly-formed Al-poor clinopyroxenes, and (iii) the partially melted quartzite (Zone 3), producing abundant siliceous melt. These features makes it possible to quantify the effect of magma contamination by siliceous crust in terms of clinopyroxene-melt element partitioning. Major and trace element partition coefficients have been calculated using the compositions of clinopyroxene rims and glasses next to the crystal surface. Zone 1 and Zone 2 partition coefficients correspond to, respectively, the chemical analyses of Al-rich phenocrysts and matrix glasses, and the chemical analyses of newly-formed Al-poor crystals and hybrid glasses. For clinopyroxenes from both the hybrid layer and the lava flow expected relationships are observed between the partition coefficient, the valence of the element, and the ionic radius. However, with respect to Zone 1 partition coefficients, values of Zone 2 partition coefficients show a net decrease for transition metals (TE), high-field strength elements (HFSE) and rare earth elements including yttrium (REE + Y), and an increase for large ion lithophile elements (LILE). This variation is associated with coupled substitutions on the M1, M2 and T sites of the type M1(Al, Fe3 +) + TAl = M2(Mg, Fe2 +) + TSi. The different incorporation of trace elements into clinopyroxenes of hybrid origin is controlled by cation substitution reactions reflecting local charge-balance requirements. According to the lattice strain theory, simultaneous cation exchanges across the M1, M2, and T sites have profound effects on REE + Y and HFSE partitioning. Conversely, both temperature and melt composition have only a minor effect when the thermal path of magma is restricted to 70 °C and the value of non-bridging oxygens per tetrahedral cations (NBO/T) shifts moderately from 0.31 to 0.43. As a consequence, Zone 2 partition coefficients for REE + Y and HFSE diverge significantly from those derived for Zone 1, accounting for limited cation incorporation into the newly-formed clinopyroxenes at the quartzite-magma interface.

Sensitivity of corneal biomechanical and optical behavior to material parameters using design of experiments method.

PubMed

Xu, Mengchen; Lerner, Amy L; Funkenbusch, Paul D; Richhariya, Ashutosh; Yoon, Geunyoung

2018-02-01

The optical performance of the human cornea under intraocular pressure (IOP) is the result of complex material properties and their interactions. The measurement of the numerous material parameters that define this material behavior may be key in the refinement of patient-specific models. The goal of this study was to investigate the relative contribution of these parameters to the biomechanical and optical responses of human cornea predicted by a widely accepted anisotropic hyperelastic finite element model, with regional variations in the alignment of fibers. Design of experiments methods were used to quantify the relative importance of material properties including matrix stiffness, fiber stiffness, fiber nonlinearity and fiber dispersion under physiological IOP. Our sensitivity results showed that corneal apical displacement was influenced nearly evenly by matrix stiffness, fiber stiffness and nonlinearity. However, the variations in corneal optical aberrations (refractive power and spherical aberration) were primarily dependent on the value of the matrix stiffness. The optical aberrations predicted by variations in this material parameter were sufficiently large to predict clinically important changes in retinal image quality. Therefore, well-characterized individual variations in matrix stiffness could be critical in cornea modeling in order to reliably predict optical behavior under different IOPs or after corneal surgery.

Matrix decompositions of two-dimensional nuclear magnetic resonance spectra.

PubMed

Havel, T F; Najfeld, I; Yang, J X

1994-08-16

Two-dimensional NMR spectra are rectangular arrays of real numbers, which are commonly regarded as digitized images to be analyzed visually. If one treats them instead as mathematical matrices, linear algebra techniques can also be used to extract valuable information from them. This matrix approach is greatly facilitated by means of a physically significant decomposition of these spectra into a product of matrices--namely, S = PAPT. Here, P denotes a matrix whose columns contain the digitized contours of each individual peak or multiple in the one-dimensional spectrum, PT is its transpose, and A is an interaction matrix specific to the experiment in question. The practical applications of this decomposition are considered in detail for two important types of two-dimensional NMR spectra, double quantum-filtered correlated spectroscopy and nuclear Overhauser effect spectroscopy, both in the weak-coupling approximation. The elements of A are the signed intensities of the cross-peaks in a double quantum-filtered correlated spectrum, or the integrated cross-peak intensities in the case of a nuclear Overhauser effect spectrum. This decomposition not only permits these spectra to be efficiently simulated but also permits the corresponding inverse problems to be given an elegant mathematical formulation to which standard numerical methods are applicable. Finally, the extension of this decomposition to the case of strong coupling is given.

Matrix decompositions of two-dimensional nuclear magnetic resonance spectra.

PubMed Central

Havel, T F; Najfeld, I; Yang, J X

1994-01-01

Two-dimensional NMR spectra are rectangular arrays of real numbers, which are commonly regarded as digitized images to be analyzed visually. If one treats them instead as mathematical matrices, linear algebra techniques can also be used to extract valuable information from them. This matrix approach is greatly facilitated by means of a physically significant decomposition of these spectra into a product of matrices--namely, S = PAPT. Here, P denotes a matrix whose columns contain the digitized contours of each individual peak or multiple in the one-dimensional spectrum, PT is its transpose, and A is an interaction matrix specific to the experiment in question. The practical applications of this decomposition are considered in detail for two important types of two-dimensional NMR spectra, double quantum-filtered correlated spectroscopy and nuclear Overhauser effect spectroscopy, both in the weak-coupling approximation. The elements of A are the signed intensities of the cross-peaks in a double quantum-filtered correlated spectrum, or the integrated cross-peak intensities in the case of a nuclear Overhauser effect spectrum. This decomposition not only permits these spectra to be efficiently simulated but also permits the corresponding inverse problems to be given an elegant mathematical formulation to which standard numerical methods are applicable. Finally, the extension of this decomposition to the case of strong coupling is given. PMID:8058742

The occurrence and behavior of radium in saline formation water of the U.S. Gulf Coast region.

USGS Publications Warehouse

Kraemer, T.F.; Reid, D.F.

1984-01-01

Ra was measured in deep saline formation waters produced from a variety of US Gulf Coast subsurface environments, including oil and gas reservoirs, and water-producing geopressured aquifers. A strong positive correlation was found between formation-water salinity and Ra activity, resulting from the interaction of formation water with aquifer matrix. Ra isotopes enter the fluid phase after being produced by the decay of parent elements U and Th on and within the solid matrix. The processes believed to be primarily responsible for transfering Ra from matrix to formation water are chemical leaching and alpha -particle recoil. Factors controlling the observed salinity-Ra relationship may be one or a combination of the following: 1) ion exchange; 2) increased solubility of matrix silica surrounding Ra atoms, coupled with a salinity-controlled rate of re-equilibration of silica between solution and quartz grains; and 3) the equilibration of Ra in solution with detrital baryte within the aquifer. No difference was found in the brine-Ra relation in water produced from oil or gas wells and water produced from wells penetrating only water-bearing aquifers, although the relation was more highly correlated for water-bearing aquifers than hydrocarbon-containing reservoirs.-P.Br.

The occurrence and behavior of radium in saline formation water of the U.S. Gulf Coast region

USGS Publications Warehouse

Kraemer, T.F.; Reid, D.F.

1984-01-01

Radium has been measured in deep saline formation waters produced from a variety of U.S. Gulf Coast subsurface environments, including oil reservoirs, gas reservoirs and water-producing geopressured aquifers. A strong positive correlation has been found between formation-water salinity and Ra activity, resulting from the interaction of formation water with aquifer matrix. Ra isotopes enter the fluid phase after being produced by the decay of parent elements U and Th, which are located at sites on and within the solid matrix. Processes that are belived to be primarily responsible for transferring Ra from matrix to formation water are chemical leaching and alpha-particle recoil. Factors controlling the observed salinity-Ra relationship may be one or a combination of the following factors: (a) ion exchange; (b) increased solubility of matrix silica surrounding Ra atoms, coupled with a salinity-controlled rate of reequilibration of silica between solution and quartz grains; and (c) the equilibration of Ra in solution with detrial barite within the aquifer. No difference was found in the brine-Ra relation in water produced from oil or gas wells and water produced from wells penetrating only water-bearing aquifers, although the relation was more highly correlated for water-bearing aquifers than hydrocarbon-containing reservoirs. ?? 1984.

Asymptotic states and the definition of the S-matrix in quantum gravity

NASA Astrophysics Data System (ADS)

Wiesendanger, C.

2013-04-01

Viewing gravitational energy-momentum p_G^\\mu as equal by observation, but different in essence from inertial energy-momentum p_I^\\mu naturally leads to the gauge theory of volume-preserving diffeomorphisms of an inner Minkowski space M4. The generalized asymptotic free scalar, Dirac and gauge fields in that theory are canonically quantized, the Fock spaces of stationary states are constructed and the gravitational limit—mapping the gravitational energy-momentum onto the inertial energy-momentum to account for their observed equality—is introduced. Next the S-matrix in quantum gravity is defined as the gravitational limit of the transition amplitudes of asymptotic in- to out-states in the gauge theory of volume-preserving diffeomorphisms. The so-defined S-matrix relates in- and out-states of observable particles carrying gravitational equal to inertial energy-momentum. Finally, generalized Lehmann-Symanzik-Zimmermann reduction formulae for scalar, Dirac and gauge fields are established which allow us to express S-matrix elements as the gravitational limit of truncated Fourier-transformed vacuum expectation values of time-ordered products of field operators of the interacting theory. Together with the generating functional of the latter established in Wiesendanger (2011 arXiv:1103.1012) any transition amplitude can in principle be computed consistently to any order in perturbative quantum gravity.

Discrete Element Framework for Modelling Extracellular Matrix, Deformable Cells and Subcellular Components

PubMed Central

Gardiner, Bruce S.; Wong, Kelvin K. L.; Joldes, Grand R.; Rich, Addison J.; Tan, Chin Wee; Burgess, Antony W.; Smith, David W.

2015-01-01

This paper presents a framework for modelling biological tissues based on discrete particles. Cell components (e.g. cell membranes, cell cytoskeleton, cell nucleus) and extracellular matrix (e.g. collagen) are represented using collections of particles. Simple particle to particle interaction laws are used to simulate and control complex physical interaction types (e.g. cell-cell adhesion via cadherins, integrin basement membrane attachment, cytoskeletal mechanical properties). Particles may be given the capacity to change their properties and behaviours in response to changes in the cellular microenvironment (e.g., in response to cell-cell signalling or mechanical loadings). Each particle is in effect an ‘agent’, meaning that the agent can sense local environmental information and respond according to pre-determined or stochastic events. The behaviour of the proposed framework is exemplified through several biological problems of ongoing interest. These examples illustrate how the modelling framework allows enormous flexibility for representing the mechanical behaviour of different tissues, and we argue this is a more intuitive approach than perhaps offered by traditional continuum methods. Because of this flexibility, we believe the discrete modelling framework provides an avenue for biologists and bioengineers to explore the behaviour of tissue systems in a computational laboratory. PMID:26452000

Dynamic Manipulation of Hydrogels to Control Cell Behavior: A Review

PubMed Central

Vats, Kanika

2013-01-01

For many tissue engineering applications and studies to understand how materials fundamentally affect cellular functions, it is important to have the ability to synthesize biomaterials that can mimic elements of native cell–extracellular matrix interactions. Hydrogels possess many properties that are desirable for studying cell behavior. For example, hydrogels are biocompatible and can be biochemically and mechanically altered by exploiting the presentation of cell adhesive epitopes or by changing hydrogel crosslinking density. To establish physical and biochemical tunability, hydrogels can be engineered to alter their properties upon interaction with external driving forces such as pH, temperature, electric current, as well as exposure to cytocompatible irradiation. Additionally, hydrogels can be engineered to respond to enzymes secreted by cells, such as matrix metalloproteinases and hyaluronidases. This review details different strategies and mechanisms by which biomaterials, specifically hydrogels, can be manipulated dynamically to affect cell behavior. By employing the appropriate combination of stimuli and hydrogel composition and architecture, cell behavior such as adhesion, migration, proliferation, and differentiation can be controlled in real time. This three-dimensional control in cell behavior can help create programmable cell niches that can be useful for fundamental cell studies and in a variety of tissue engineering applications. PMID:23541134

Discrete Element Framework for Modelling Extracellular Matrix, Deformable Cells and Subcellular Components.

PubMed

Gardiner, Bruce S; Wong, Kelvin K L; Joldes, Grand R; Rich, Addison J; Tan, Chin Wee; Burgess, Antony W; Smith, David W

2015-10-01

This paper presents a framework for modelling biological tissues based on discrete particles. Cell components (e.g. cell membranes, cell cytoskeleton, cell nucleus) and extracellular matrix (e.g. collagen) are represented using collections of particles. Simple particle to particle interaction laws are used to simulate and control complex physical interaction types (e.g. cell-cell adhesion via cadherins, integrin basement membrane attachment, cytoskeletal mechanical properties). Particles may be given the capacity to change their properties and behaviours in response to changes in the cellular microenvironment (e.g., in response to cell-cell signalling or mechanical loadings). Each particle is in effect an 'agent', meaning that the agent can sense local environmental information and respond according to pre-determined or stochastic events. The behaviour of the proposed framework is exemplified through several biological problems of ongoing interest. These examples illustrate how the modelling framework allows enormous flexibility for representing the mechanical behaviour of different tissues, and we argue this is a more intuitive approach than perhaps offered by traditional continuum methods. Because of this flexibility, we believe the discrete modelling framework provides an avenue for biologists and bioengineers to explore the behaviour of tissue systems in a computational laboratory.

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

NASA Technical Reports Server (NTRS)

Dill, D.; Starace, A. F.; Manson, S. T.

1974-01-01

The photoelectron asymmetry parameter beta in LS-coupling is obtained as an expansion into contributions from alternative angular momentum transfers j sub t. The physical significance of this expansion of beta is shown to be that: (1) the electric dipole interaction transfers to the atom a charcteristic single angular momentum j sub t = sub o, where sub o is the photoelectron's initial orbital momentum; and (2) angular momentum transfers indicate the presence of anisotropic interaction of the outgoing photoelectron with the residual ion. For open shell atoms the photoelectron-ion interaction is generally anisotropic; photoelectron phase shifts and electric dipole matrix elements depend on both the multiplet term of the residual ion and the total orbital momentum of the ion-photoelectron final state channel. Consequently beta depends on the term levels of the residual ion and contains contributions from all allowed values of j sub t. Numerical calculations of the asymmetry parameters and partial cross sections for photoionization of atomic sulfur are presented.

A micromechanics model for bread dough

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

Mohammed, M. A. P; Tarleton, E.; Charalambides, M. N.

The mechanical behaviour of dough and gluten was studied in an effort to investigate whether bread dough can be treated as a two phase (starch and gluten) composite material. The dough and gluten show rate dependent behaviour under tension, compression and shear tests, and non-linear unloading-reloading curves under cyclic compression tests. There is evidence from cryo-Scanning Electron Microscopy (SEM) that damage in the form of debonding between starch and gluten occurs when the sample is stretched. A composite finite element model was developed using starch as filler and gluten as matrix. The interaction between the starch and gluten was modelledmore » as cohesive contact. The finite element analysis predictions agree with trends seen in experimental test data on dough and gluten, further evidence that debonding of starch and gluten is a possible damage mechanism in dough.« less

A micromechanics model for bread dough

NASA Astrophysics Data System (ADS)

Mohammed, M. A. P.; Tarleton, E.; Charalambides, M. N.; Williams, J. G.

2015-01-01

The mechanical behaviour of dough and gluten was studied in an effort to investigate whether bread dough can be treated as a two phase (starch and gluten) composite material. The dough and gluten show rate dependent behaviour under tension, compression and shear tests, and non-linear unloading-reloading curves under cyclic compression tests. There is evidence from cryo-Scanning Electron Microscopy (SEM) that damage in the form of debonding between starch and gluten occurs when the sample is stretched. A composite finite element model was developed using starch as filler and gluten as matrix. The interaction between the starch and gluten was modelled as cohesive contact. The finite element analysis predictions agree with trends seen in experimental test data on dough and gluten, further evidence that debonding of starch and gluten is a possible damage mechanism in dough.

A continuum mechanics-based musculo-mechanical model for esophageal transport

NASA Astrophysics Data System (ADS)

Kou, Wenjun; Griffith, Boyce E.; Pandolfino, John E.; Kahrilas, Peter J.; Patankar, Neelesh A.

2017-11-01

In this work, we extend our previous esophageal transport model using an immersed boundary (IB) method with discrete fiber-based structural model, to one using a continuum mechanics-based model that is approximated based on finite elements (IB-FE). To deal with the leakage of flow when the Lagrangian mesh becomes coarser than the fluid mesh, we employ adaptive interaction quadrature points to deal with Lagrangian-Eulerian interaction equations based on a previous work (Griffith and Luo [1]). In particular, we introduce a new anisotropic adaptive interaction quadrature rule. The new rule permits us to vary the interaction quadrature points not only at each time-step and element but also at different orientations per element. This helps to avoid the leakage issue without sacrificing the computational efficiency and accuracy in dealing with the interaction equations. For the material model, we extend our previous fiber-based model to a continuum-based model. We present formulations for general fiber-reinforced material models in the IB-FE framework. The new material model can handle non-linear elasticity and fiber-matrix interactions, and thus permits us to consider more realistic material behavior of biological tissues. To validate our method, we first study a case in which a three-dimensional short tube is dilated. Results on the pressure-displacement relationship and the stress distribution matches very well with those obtained from the implicit FE method. We remark that in our IB-FE case, the three-dimensional tube undergoes a very large deformation and the Lagrangian mesh-size becomes about 6 times of Eulerian mesh-size in the circumferential orientation. To validate the performance of the method in handling fiber-matrix material models, we perform a second study on dilating a long fiber-reinforced tube. Errors are small when we compare numerical solutions with analytical solutions. The technique is then applied to the problem of esophageal transport. We use two fiber-reinforced models for the esophageal tissue: a bi-linear model and an exponential model. We present three cases on esophageal transport that differ in the material model and the muscle fiber architecture. The overall transport features are consistent with those observed from the previous model. We remark that the continuum-based model can handle more realistic and complicated material behavior. This is demonstrated in our third case where a spatially varying fiber architecture is included based on experimental study. We find that this unique muscle fiber architecture could generate a so-called pressure transition zone, which is a luminal pressure pattern that is of clinical interest. This suggests an important role of muscle fiber architecture in esophageal transport.

Anisotropic ray trace

NASA Astrophysics Data System (ADS)

Lam, Wai Sze Tiffany

Optical components made of anisotropic materials, such as crystal polarizers and crystal waveplates, are widely used in many complex optical system, such as display systems, microlithography, biomedical imaging and many other optical systems, and induce more complex aberrations than optical components made of isotropic materials. The goal of this dissertation is to accurately simulate the performance of optical systems with anisotropic materials using polarization ray trace. This work extends the polarization ray tracing calculus to incorporate ray tracing through anisotropic materials, including uniaxial, biaxial and optically active materials. The 3D polarization ray tracing calculus is an invaluable tool for analyzing polarization properties of an optical system. The 3x3 polarization ray tracing P matrix developed for anisotropic ray trace assists tracking the 3D polarization transformations along a ray path with series of surfaces in an optical system. To better represent the anisotropic light-matter interactions, the definition of the P matrix is generalized to incorporate not only the polarization change at a refraction/reflection interface, but also the induced optical phase accumulation as light propagates through the anisotropic medium. This enables realistic modeling of crystalline polarization elements, such as crystal waveplates and crystal polarizers. The wavefront and polarization aberrations of these anisotropic components are more complex than those of isotropic optical components and can be evaluated from the resultant P matrix for each eigen-wavefront as well as for the overall image. One incident ray refracting or reflecting into an anisotropic medium produces two eigenpolarizations or eigenmodes propagating in different directions. The associated ray parameters of these modes necessary for the anisotropic ray trace are described in Chapter 2. The algorithms to calculate the P matrix from these ray parameters are described in Chapter 3 for anisotropic ray tracing. x. Chapter 4 presents the data reduction of the P matrix of a crystal waveplate. The diattenuation is embedded in the singular values of P. The retardance is divided into two parts: (A) The physical retardance induced by OPLs and surface interactions, and (B) the geometrical transformation induced by geometry of a ray path, which is calculated by the geometrical transform Q matrix. The Q matrix of an anisotropic intercept is derived from the generalization of s- and p-bases at the anisotropic intercept; the p basis is not confined to the plane of incidence due to the anisotropic refraction or reflection. Chapter 5 shows how the multiple P matrices associated with the eigenmodes resulting from propagation through multiple anisotropic surfaces can be combined into one P matrix when the multiple modes interfere in their overlapping regions. The resultant P matrix contains diattenuation induced at each surface interaction as well as the retardance due to ray propagation and total internal reflections. The polarization aberrations of crystal waveplates and crystal polarizers are studied in Chapter 6 and Chapter 7. A wavefront simulated by a grid of rays is traced through the anisotropic system and the resultant grid of rays is analyzed. The analysis is complicated by the ray doubling effects and the partially overlapping eigen-wavefronts propagating in various directions. The wavefront and polarization aberrations of each eigenmode can be evaluated from the electric field distributions. The overall polarization at the plane of interest or the image quality at the image plane are affected by each of these eigen-wavefronts. Isotropic materials become anisotropic due to stress, strain, or applied electric or magnetic fields. In Chapter 8, the P matrix for anisotropic materials is extended to ray tracing in stress birefringent materials which are treated as spatially varying anisotropic materials. Such simulations can predict the spatial retardance variation throughout the stressed optical component and its effects on the point spread function and modulation transfer function for different incident polarizations. The anisotropic extension of the P matrix also applies to other anisotropic optical components, such as anisotropic diffractive optical elements and anisotropic thin films. It systematically keeps track of polarization transformation in 3D global Cartesian coordinates of a ray propagating through series of anisotropic and isotropic optical components with arbitrary orientations. The polarization ray tracing calculus with this generalized P matrix provides a powerful tool for optical ray trace and allows comprehensive analysis of complex optical system. (Abstract shortened by UMI.).

Analytical and finite element performance evaluation of embedded piezoelectric sensors in polyethylene

NASA Astrophysics Data System (ADS)

Safaei, Mohsen; Anton, Steven R.

2017-04-01

A common application of piezoelectric transducers is to obtain operational data from working structures and dynamic components. Collected data can then be used to evaluate dynamic characterization of the system, perform structural health monitoring, or implement various other assessments. In some applications, piezoelectric transducers are bonded inside the host structure to satisfy system requirements; for example, piezoelectric transducers can be embedded inside the biopolymers of total joint replacements to evaluate the functionality of the artificial joint. The interactions between the piezoelectric device (inhomogeneity) and the surrounding polymer matrix determine the mechanical behavior of the matrix and the electromechanical behavior of the sensor. In this work, an analytical approach is employed to evaluate the electromechanical performance of 2-D plane strain piezoelectric elements of both circular and rectangular-shape inhomogeneities. These piezoelectric elements are embedded inside medical grade ultra-high molecular weight (UHMW) polyethylene, a material commonly used for bearing surfaces of joint replacements, such as total knee replacements (TKRs). Using the famous Eshelby inhomogeneity solution, the stress and electric field inside the circular (elliptical) inhomogeneity is obtained by decoupling the solution into purely elastic and dielectric systems of equations. For rectangular (non-elliptical) inhomogeneities, an approximation method based on the boundary integral function is utilized and the same decoupling method is employed. In order to validate the analytical result, a finite element analysis is performed for both the circular and rectangular inhomogeneities and the error for each case is calculated. For elliptical geometry, the error is less than 1% for stress and electric fields inside and outside the piezoelectric inhomogeneity, whereas, the error for non-elliptical geometry is obtained as 11% and 7% for stress and electric field inside the inhomogeneity, respectively.

Effective field theory in the harmonic oscillator basis

DOE PAGES

Binder, S.; Ekström, Jan A.; Hagen, Gaute; ...

2016-04-25

In this paper, we develop interactions from chiral effective field theory (EFT) that are tailored to the harmonic oscillator basis. As a consequence, ultraviolet convergence with respect to the model space is implemented by construction and infrared convergence can be achieved by enlarging the model space for the kinetic energy. In oscillator EFT, matrix elements of EFTs formulated for continuous momenta are evaluated at the discrete momenta that stem from the diagonalization of the kinetic energy in the finite oscillator space. By fitting to realistic phase shifts and deuteron data we construct an effective interaction from chiral EFT at next-to-leadingmore » order. Finally, many-body coupled-cluster calculations of nuclei up to 132Sn converge fast for the ground-state energies and radii in feasible model spaces.« less

Constraints on the phase gamma and new physics from B --> kpi decays

PubMed

He; Hsueh; Shi

2000-01-03

Recent results from CLEO on B-->Kpi indicate that the phase gamma may be substantially different from that obtained from other fit to the KM matrix elements in the standard model. We show that gamma extracted using B-->Kpi,pipi is sensitive to new physics occurring at loop level. It provides a powerful method to probe new physics in electroweak penguin interactions. Using effects due to anomalous gauge couplings as an example, we show that within the allowed ranges for these couplings information about gamma obtained from B-->Kpi,pipi can be very different from the standard model prediction.

ATIC Experiment: Elemental Spectra from the Flight in 2000

NASA Technical Reports Server (NTRS)

Ahn, H. S.; Adams, J. H.; Bashindzhagyan, G.; Batkov, K. E.; Chang, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunasingha, R. M.; Guzik, T. G.

2003-01-01

The Advanced Thin Ionization Calorimeter (ATIC) had successful Long Duration Balloon flights from McMurdo, Antarctica in both 2000 and 2002. The instrument consists of a silicon matrix charge detector, a 0.75 nuclear interaction length graphite target, 3 scintillator strip hodoscopes, and an 18 radiation length thick BGO calorimeter to measure the cosmic ray composition and energy spectra from approximately 30 GeV to near 100 TeV. In this paper, we present preliminary results from the first flight, which was a test flight that lasted for 16 days, starting on 12/28/00.

Thouless energy and multifractality across the many-body localization transition

NASA Astrophysics Data System (ADS)

Serbyn, Maksym; Papić, Z.; Abanin, Dmitry A.

2017-09-01

Thermal and many-body localized phases are separated by a dynamical phase transition of a new kind. We analyze the distribution of off-diagonal matrix elements of local operators across this transition in two different models of disordered spin chains. We show that the behavior of matrix elements can be used to characterize the breakdown of thermalization and to extract the many-body Thouless energy. We find that upon increasing the disorder strength the system enters a critical region around the many-body localization transition. The properties of the system in this region are: (i) the Thouless energy becomes smaller than the level spacing, (ii) the matrix elements show critical dependence on the energy difference, and (iii) the matrix elements, viewed as amplitudes of a fictitious wave function, exhibit strong multifractality. This critical region decreases with the system size, which we interpret as evidence for a diverging correlation length at the many-body localization transition. Our findings show that the correlation length becomes larger than the accessible system sizes in a broad range of disorder strength values and shed light on the critical behavior near the many-body localization transition.

An efficient basis set representation for calculating electrons in molecules

DOE PAGES

Jones, Jeremiah R.; Rouet, Francois -Henry; Lawler, Keith V.; ...

2016-04-27

The method of McCurdy, Baertschy, and Rescigno, is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. Themore » calculation of contracted two-electron matrix elements among orbitals requires only O( Nlog (N)) multiplication operations, not O( N 4), where N is the number of basis functions; N = n 3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He +, H + 2), 2- (H 2, He), 10- (CH 4), and 56-electron (C 8H 8) systems.« less

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

Bouchard, Chris; Chang, Chia Cheng; Kurth, Thorsten

In this paper, the Feynman-Hellmann theorem can be derived from the long Euclidean-time limit of correlation functions determined with functional derivatives of the partition function. Using this insight, we fully develop an improved method for computing matrix elements of external currents utilizing only two-point correlation functions. Our method applies to matrix elements of any external bilinear current, including nonzero momentum transfer, flavor-changing, and two or more current insertion matrix elements. The ability to identify and control all the systematic uncertainties in the analysis of the correlation functions stems from the unique time dependence of the ground-state matrix elements and the fact that all excited states and contact terms are Euclidean-time dependent. We demonstrate the utility of our method with a calculation of the nucleon axial charge using gradient-flowed domain-wall valence quarks on themore » $$N_f=2+1+1$$ MILC highly improved staggered quark ensemble with lattice spacing and pion mass of approximately 0.15 fm and 310 MeV respectively. We show full control over excited-state systematics with the new method and obtain a value of $$g_A = 1.213(26)$$ with a quark-mass-dependent renormalization coefficient.« less

The Method of Unitary Clothing Transformations in the Theory of Nucleon-Nucleon Scattering

NASA Astrophysics Data System (ADS)

Dubovyk, I.; Shebeko, O.

2010-12-01

The clothing procedure, put forward in quantum field theory (QFT) by Greenberg and Schweber, is applied for the description of nucleon-nucleon ( N- N) scattering. We consider pseudoscalar ( π and η), vector ( ρ and ω) and scalar ( δ and σ) meson fields interacting with 1/2 spin ( N and {bar{N}}) fermion ones via the Yukawa-type couplings to introduce trial interactions between “bare” particles. The subsequent unitary clothing transformations are found to express the total Hamiltonian through new interaction operators that refer to particles with physical (observable) properties, the so-called clothed particles. In this work, we are focused upon the Hermitian and energy-independent operators for the clothed nucleons, being built up in the second order in the coupling constants. The corresponding analytic expressions in momentum space are compared with the separate meson contributions to the one-boson-exchange potentials in the meson theory of nuclear forces. In order to evaluate the T matrix of the N- N scattering we have used an equivalence theorem that enables us to operate in the clothed particle representation (CPR) instead of the bare particle representation with its large amount of virtual processes. We have derived the Lippmann-Schwinger type equation for the CPR elements of the T-matrix for a given collision energy in the two-nucleon sector of the Hilbert space {mathcal{H}} of hadronic states.

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.

A high-accuracy optical linear algebra processor for finite element applications

NASA Technical Reports Server (NTRS)

Casasent, D.; Taylor, B. K.

1984-01-01

Optical linear processors are computationally efficient computers for solving matrix-matrix and matrix-vector oriented problems. Optical system errors limit their dynamic range to 30-40 dB, which limits their accuray to 9-12 bits. Large problems, such as the finite element problem in structural mechanics (with tens or hundreds of thousands of variables) which can exploit the speed of optical processors, require the 32 bit accuracy obtainable from digital machines. To obtain this required 32 bit accuracy with an optical processor, the data can be digitally encoded, thereby reducing the dynamic range requirements of the optical system (i.e., decreasing the effect of optical errors on the data) while providing increased accuracy. This report describes a new digitally encoded optical linear algebra processor architecture for solving finite element and banded matrix-vector problems. A linear static plate bending case study is described which quantities the processor requirements. Multiplication by digital convolution is explained, and the digitally encoded optical processor architecture is advanced.

Finite Element Model for Failure Study of Two-Dimensional Triaxially Braided Composite

NASA Technical Reports Server (NTRS)

Li, Xuetao; Binienda, Wieslaw K.; Goldberg, Robert K.

2010-01-01

A new three-dimensional finite element model of two-dimensional triaxially braided composites is presented in this paper. This meso-scale modeling technique is used to examine and predict the deformation and damage observed in tests of straight sided specimens. A unit cell based approach is used to take into account the braiding architecture as well as the mechanical properties of the fiber tows, the matrix and the fiber tow-matrix interface. A 0 deg / plus or minus 60 deg. braiding configuration has been investigated by conducting static finite element analyses. Failure initiation and progressive degradation has been simulated in the fiber tows by use of the Hashin failure criteria and a damage evolution law. The fiber tow-matrix interface was modeled by using a cohesive zone approach to capture any fiber-matrix debonding. By comparing the analytical results to those obtained experimentally, the applicability of the developed model was assessed and the failure process was investigated.

Multi-Target Angle Tracking Algorithm for Bistatic MIMO Radar Based on the Elements of the Covariance Matrix

PubMed Central

Zhang, Zhengyan; Zhang, Jianyun; Zhou, Qingsong; Li, Xiaobo

2018-01-01

In this paper, we consider the problem of tracking the direction of arrivals (DOA) and the direction of departure (DOD) of multiple targets for bistatic multiple-input multiple-output (MIMO) radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD) algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar. PMID:29518957

Multi-Target Angle Tracking Algorithm for Bistatic Multiple-Input Multiple-Output (MIMO) Radar Based on the Elements of the Covariance Matrix.

PubMed

Zhang, Zhengyan; Zhang, Jianyun; Zhou, Qingsong; Li, Xiaobo

2018-03-07

In this paper, we consider the problem of tracking the direction of arrivals (DOA) and the direction of departure (DOD) of multiple targets for bistatic multiple-input multiple-output (MIMO) radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD) algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar.

A three-dimensional nonlinear Timoshenko beam based on the core-congruential formulation

NASA Technical Reports Server (NTRS)

Crivelli, Luis A.; Felippa, Carlos A.

1992-01-01

A three-dimensional, geometrically nonlinear two-node Timoshenkoo beam element based on the total Larangrian description is derived. The element behavior is assumed to be linear elastic, but no restrictions are placed on magnitude of finite rotations. The resulting element has twelve degrees of freedom: six translational components and six rotational-vector components. The formulation uses the Green-Lagrange strains and second Piola-Kirchhoff stresses as energy-conjugate variables and accounts for the bending-stretching and bending-torsional coupling effects without special provisions. The core-congruential formulation (CCF) is used to derived the discrete equations in a staged manner. Core equations involving the internal force vector and tangent stiffness matrix are developed at the particle level. A sequence of matrix transformations carries these equations to beam cross-sections and finally to the element nodal degrees of freedom. The choice of finite rotation measure is made in the next-to-last transformation stage, and the choice of over-the-element interpolation in the last one. The tangent stiffness matrix is found to retain symmetry if the rotational vector is chosen to measure finite rotations. An extensive set of numerical examples is presented to test and validate the present element.

Matrix remodeling between cells and cellular interactions with collagen bundle

NASA Astrophysics Data System (ADS)

Kim, Jihan; Sun, Bo

When cells are surrounded by complex environment, they continuously probe and interact with it by applying cellular traction forces. As cells apply traction forces, they can sense rigidity of their local environment and remodel the matrix microstructure simultaneously. Previous study shows that single human carcinoma cell (MDA-MB-231) remodeled its surrounding extracellular matrix (ECM) and the matrix remodeling was reversible. In this study we examined the matrix microstructure between cells and cellular interaction between them using quantitative confocal microscopy. The result shows that the matrix microstructure is the most significantly remodeled between cells consisting of aligned, and densified collagen fibers (collagen bundle)., the result shows that collagen bundle is irreversible and significantly change micromechanics of ECM around the bundle. We further examined cellular interaction with collagen bundle by analyzing dynamics of actin and talin formation along with the direction of bundle. Lastly, we analyzed dynamics of cellular protrusion and migrating direction of cells along the bundle.

Bond characteristics of steel fiber and deformed reinforcing steel bar embedded in steel fiber reinforced self-compacting concrete (SFRSCC)

NASA Astrophysics Data System (ADS)

Aslani, Farhad; Nejadi, Shami

2012-09-01

Steel fiber reinforced self-compacting concrete (SFRSCC) is a relatively new composite material which congregates the benefits of the self-compacting concrete (SCC) technology with the profits derived from the fiber addition to a brittle cementitious matrix. Steel fibers improve many of the properties of SCC elements including tensile strength, ductility, toughness, energy absorption capacity, fracture toughness and cracking. Although the available research regarding the influence of steel fibers on the properties of SFRSCC is limited, this paper investigates the bond characteristics between steel fiber and SCC firstly. Based on the available experimental results, the current analytical steel fiber pullout model (Dubey 1999) is modified by considering the different SCC properties and different fiber types (smooth, hooked) and inclination. In order to take into account the effect of fiber inclination in the pullout model, apparent shear strengths ( τ ( app)) and slip coefficient ( β) are incorporated to express the variation of pullout peak load and the augmentation of peak slip as the inclined angle increases. These variables are expressed as functions of the inclined angle ( ϕ). Furthurmore, steel-concrete composite floors, reinforced concrete floors supported by columns or walls and floors on an elastic foundations belong to the category of structural elements in which the conventional steel reinforcement can be partially replaced by the use of steel fibers. When discussing deformation capacity of structural elements or civil engineering structures manufactured using SFRSCC, one must be able to describe thoroughly both the behavior of the concrete matrix reinforced with steel fibers and the interaction between this composite matrix and discrete steel reinforcement of the conventional type. However, even though the knowledge on bond behavior is essential for evaluating the overall behavior of structural components containing reinforcement and steel fibers, information is hardly available in this area. In this study, bond characteristics of deformed reinforcing steel bars embedded in SFRSCC is investigated secondly.

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

On the Singularity in the Estimation of the Quaternion-of-Rotation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Thienel, Julie K.; Bauer, Frank (Technical Monitor)

2002-01-01

It has been claimed in the archival literature that the covariance matrix of a Kalman filter, which is designed to estimate the quaternion-of-rotation, is necessarily rank, deficient because the normality constraint of the quaternion produces dependence between the quaternion elements. In reality, though, this phenomenon does not occur. The covariance matrix is not singular, and the filter is well behaved. Several simple examples are presented th at demonstrate the regularity of the covariance matrix. First, a Kalman filter is designed to estimate variables subject to a functional relationship. Then the particular problem of quaternion estimation is analyzed. It is shown that the discrepancy stems from the fact that the functional relationship exists between the elements of the quaternion but not between its estimate elements.

Short-distance matrix elements for $D$-meson mixing for 2+1 lattice QCD

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

Chang, Chia Cheng

2015-01-01

We study the short-distance hadronic matrix elements for D-meson mixing with partially quenched N f = 2+1 lattice QCD. We use a large set of the MIMD Lattice Computation Collaboration's gauge configurations with a 2 tadpole-improved staggered sea quarks and tadpole-improved Lüscher-Weisz gluons. We use the a 2 tadpole-improved action for valence light quarks and the Sheikoleslami-Wohlert action with the Fermilab interpretation for the valence charm quark. Our calculation covers the complete set of five operators needed to constrain new physics models for D-meson mixing. We match our matrix elements to the MS-NDR scheme evaluated at 3 GeV. We reportmore » values for the Beneke-Buchalla-Greub-Lenz-Nierste choice of evanescent operators.« less

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

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

Harris, Frank E., E-mail: harris@qtp.ufl.edu

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance r{sub ij}. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validatedmore » by showing that they yield correct results for a large number of integrals published by other investigators.« less

Approximate method of variational Bayesian matrix factorization/completion with sparse prior

NASA Astrophysics Data System (ADS)

Kawasumi, Ryota; Takeda, Koujin

2018-05-01

We derive the analytical expression of a matrix factorization/completion solution by the variational Bayes method, under the assumption that the observed matrix is originally the product of low-rank, dense and sparse matrices with additive noise. We assume the prior of a sparse matrix is a Laplace distribution by taking matrix sparsity into consideration. Then we use several approximations for the derivation of a matrix factorization/completion solution. By our solution, we also numerically evaluate the performance of a sparse matrix reconstruction in matrix factorization, and completion of a missing matrix element in matrix completion.

Measuring nuclear reaction cross sections to extract information on neutrinoless double beta decay

NASA Astrophysics Data System (ADS)

Cavallaro, M.; Cappuzzello, F.; Agodi, C.; Acosta, L.; Auerbach, N.; Bellone, J.; Bijker, R.; Bonanno, D.; Bongiovanni, D.; Borello-Lewin, T.; Boztosun, I.; Branchina, V.; Bussa, M. P.; Calabrese, S.; Calabretta, L.; Calanna, A.; Calvo, D.; Carbone, D.; Chávez Lomelí, E. R.; Coban, A.; Colonna, M.; D'Agostino, G.; De Geronimo, G.; Delaunay, F.; Deshmukh, N.; de Faria, P. N.; Ferraresi, C.; Ferreira, J. L.; Finocchiaro, P.; Fisichella, M.; Foti, A.; Gallo, G.; Garcia, U.; Giraudo, G.; Greco, V.; Hacisalihoglu, A.; Kotila, J.; Iazzi, F.; Introzzi, R.; Lanzalone, G.; Lavagno, A.; La Via, F.; Lay, J. A.; Lenske, H.; Linares, R.; Litrico, G.; Longhitano, F.; Lo Presti, D.; Lubian, J.; Medina, N.; Mendes, D. R.; Muoio, A.; Oliveira, J. R. B.; Pakou, A.; Pandola, L.; Petrascu, H.; Pinna, F.; Reito, S.; Rifuggiato, D.; Rodrigues, M. R. D.; Russo, A. D.; Russo, G.; Santagati, G.; Santopinto, E.; Sgouros, O.; Solakci, S. O.; Souliotis, G.; Soukeras, V.; Spatafora, A.; Torresi, D.; Tudisco, S.; Vsevolodovna, R. I. M.; Wheadon, R. J.; Yildirin, A.; Zagatto, V. A. B.

2018-02-01

Neutrinoless double beta decay (0vββ) is considered the best potential resource to access the absolute neutrino mass scale. Moreover, if observed, it will signal that neutrinos are their own anti-particles (Majorana particles). Presently, this physics case is one of the most important research “beyond Standard Model” and might guide the way towards a Grand Unified Theory of fundamental interactions. Since the 0vββ decay process involves nuclei, its analysis necessarily implies nuclear structure issues. In the NURE project, supported by a Starting Grant of the European Research Council (ERC), nuclear reactions of double charge-exchange (DCE) are used as a tool to extract information on the 0vββ Nuclear Matrix Elements. In DCE reactions and ββ decay indeed the initial and final nuclear states are the same and the transition operators have similar structure. Thus the measurement of the DCE absolute cross-sections can give crucial information on ββ matrix elements. In a wider view, the NUMEN international collaboration plans a major upgrade of the INFN-LNS facilities in the next years in order to increase the experimental production of nuclei of at least two orders of magnitude, thus making feasible a systematic study of all the cases of interest as candidates for 0vββ.

Stochastic theory of photon flow in homogeneous and heterogeneous anisotropic biological and artificial material

NASA Astrophysics Data System (ADS)

Miller, Steven D.

1995-05-01

Standard Monte Carlo methods used in photon diffusion score absorbed photons or statistical weight deposited within voxels comprising a mesh. An alternative approach to a stochastic description is considered for rapid surface flux calculations and finite medias. Matrix elements are assigned to a spatial lattice whose function is to score vector intersections of scattered photons making transitions into either the forward or back solid angle half spaces. These complete matrix elements can be related to the directional fluxes within the lattice space. This model differentiates between ballistic, quasi-ballistic, and highly diffuse photon contributions, and effectively models the subsurface generation of a scattered light flux from a ballistic source. The connection between a path integral and diffusion is illustrated. Flux perturbations can be effectively illustrated for tissue-tumor-tissue and for 3 layer systems with strong absorption in one or more layers. For conditions where the diffusion theory has difficulties such as strong absorption, highly collimated sources, small finite volumes, and subsurface regions, the computation time of the algorithm is rapid with good accuracy and compliments other description of photon diffusion. The model has the potential to do computations relevant to photodynamic therapy (PDT) and analysis of laser beam interaction with tissues.

Geometric control of capillary architecture via cell-matrix mechanical interactions.

PubMed

Sun, Jian; Jamilpour, Nima; Wang, Fei-Yue; Wong, Pak Kin

2014-03-01

Capillary morphogenesis is a multistage, multicellular activity that plays a pivotal role in various developmental and pathological situations. In-depth understanding of the regulatory mechanism along with the capability of controlling the morphogenic process will have direct implications on tissue engineering and therapeutic angiogenesis. Extensive research has been devoted to elucidate the biochemical factors that regulate capillary morphogenesis. The roles of geometric confinement and cell-matrix mechanical interactions on the capillary architecture, nevertheless, remain largely unknown. Here, we show geometric control of endothelial network topology by creating physical confinements with microfabricated fences and wells. Decreasing the thickness of the matrix also results in comparable modulation of the network architecture, supporting the boundary effect is mediated mechanically. The regulatory role of cell-matrix mechanical interaction on the network topology is further supported by alternating the matrix stiffness by a cell-inert PEG-dextran hydrogel. Furthermore, reducing the cell traction force with a Rho-associated protein kinase inhibitor diminishes the boundary effect. Computational biomechanical analysis delineates the relationship between geometric confinement and cell-matrix mechanical interaction. Collectively, these results reveal a mechanoregulation scheme of endothelial cells to regulate the capillary network architecture via cell-matrix mechanical interactions. Copyright © 2014 Elsevier Ltd. All rights reserved.

Semi-automatic sparse preconditioners for high-order finite element methods on non-uniform meshes

NASA Astrophysics Data System (ADS)

Austin, Travis M.; Brezina, Marian; Jamroz, Ben; Jhurani, Chetan; Manteuffel, Thomas A.; Ruge, John

2012-05-01

High-order finite elements often have a higher accuracy per degree of freedom than the classical low-order finite elements. However, in the context of implicit time-stepping methods, high-order finite elements present challenges to the construction of efficient simulations due to the high cost of inverting the denser finite element matrix. There are many cases where simulations are limited by the memory required to store the matrix and/or the algorithmic components of the linear solver. We are particularly interested in preconditioned Krylov methods for linear systems generated by discretization of elliptic partial differential equations with high-order finite elements. Using a preconditioner like Algebraic Multigrid can be costly in terms of memory due to the need to store matrix information at the various levels. We present a novel method for defining a preconditioner for systems generated by high-order finite elements that is based on a much sparser system than the original high-order finite element system. We investigate the performance for non-uniform meshes on a cube and a cubed sphere mesh, showing that the sparser preconditioner is more efficient and uses significantly less memory. Finally, we explore new methods to construct the sparse preconditioner and examine their effectiveness for non-uniform meshes. We compare results to a direct use of Algebraic Multigrid as a preconditioner and to a two-level additive Schwarz method.

Quantitative tissue polarimetry using polar decomposition of 3 x 3 Mueller matrix

NASA Astrophysics Data System (ADS)

Swami, M. K.; Manhas, S.; Buddhiwant, P.; Ghosh, N.; Uppal, A.; Gupta, P. K.

2007-05-01

Polarization properties of any optical system are completely described by a sixteen-element (4 x 4) matrix called Mueller matrix, which transform the Stokes vector describing the polarization properties of incident light to the stokes vector of scattered light. Measurement of all the elements of the matrix requires a minimum of sixteen measurements involving both linear and circularly polarized light. However, for many diagnostic applications, it would be useful if all the polarization parameters of the medium (depolarization (Δ), differential attenuation of two orthogonal polarizations, that is, diattenuation (d), and differential phase retardance of two orthogonal polarizations, i.e., retardance (δ )) can be quantified with linear polarization measurements alone. In this paper we show that for a turbid medium, like biological tissue, where the depolarization of linearly polarized light arises primarily due to the randomization of the field vector's direction by multiple scattering, the polarization parameters of the medium can be obtained from the nine Mueller matrix elements involving linear polarization measurements only. Use of the approach for measurement of polarization parameters (Δ, d and δ) of normal and malignant (squamous cell carcinoma) tissues resected from human oral cavity are presented.

Reflection K-matrices for a nineteen vertex model with Uq [ osp (2 | 2) (2) ] symmetry

NASA Astrophysics Data System (ADS)

Vieira, R. S.; Lima Santos, A.

2017-09-01

We derive the solutions of the boundary Yang-Baxter equation associated with a supersymmetric nineteen vertex model constructed from the three-dimensional representation of the twisted quantum affine Lie superalgebra Uq [ osp (2 | 2) (2) ]. We found three classes of solutions. The type I solution is characterized by three boundary free-parameters and all elements of the corresponding reflection K-matrix are different from zero. In the type II solution, the reflection K-matrix is even (every element of the K-matrix with an odd parity is null) and it has only one boundary free-parameter. Finally, the type III solution corresponds to a diagonal reflection K-matrix with two boundary free-parameters.

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

NASA Astrophysics Data System (ADS)

Bubin, Sergiy; Adamowicz, Ludwik

2006-06-01

In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.

PubMed

Bubin, Sergiy; Adamowicz, Ludwik

2006-06-14

In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

Random matrix ensembles for many-body quantum systems

NASA Astrophysics Data System (ADS)

Vyas, Manan; Seligman, Thomas H.

2018-04-01

Classical random matrix ensembles were originally introduced in physics to approximate quantum many-particle nuclear interactions. However, there exists a plethora of quantum systems whose dynamics is explained in terms of few-particle (predom-inantly two-particle) interactions. The random matrix models incorporating the few-particle nature of interactions are known as embedded random matrix ensembles. In the present paper, we provide a brief overview of these two ensembles and illustrate how the embedded ensembles can be successfully used to study decoherence of a qubit interacting with an environment, both for fermionic and bosonic embedded ensembles. Numerical calculations show the dependence of decoherence on the nature of the environment.

A consumer`s guide to lattice QCD results

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

DeGrand, T.

1994-12-01

The author presents an overview of recent lattice QCD results on hadron spectroscopy and matrix elements. Case studies include light quark spectroscopy, the determination of {alpha}{sub s} from heavy quark spectroscopy, the D-meson decay constant, a calculation of the Isgur-Wise function, and some examples of the (lack of) effect of sea quarks on matrix elements. The review is intended for the nonexpert.

Matrix elements of explicitly correlated Gaussian basis functions with arbitrary angular momentum

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

Joyce, Tennesse; Varga, Kálmán

2016-05-14

A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with arbitrary angular momentum is presented. The calculations are checked on several excited states of three and four electron systems. The presented formalism can be used as unified framework for high accuracy calculations of properties of small atoms and molecules.

Matrix Management in DoD: An Annotated Bibliography

DTIC Science & Technology

1984-04-01

ADDRESS 10 PROGRAM ELEMENT. PROJECT, TASK AREA & WORK UNIT NUMBERS ACSC/EDCC, MAXWELL AFB AL 36112 1 1. CONTROLLING OFFICE NAME AND ADDRESS 12 ...completes their message that matrix orga- nization is the likely format of the multiprogram Program Office. 12 The text’s discussion of matrix is...manager, and functional specialist are of vital importance to the effective operation of the matrix .... Matrix management will not achieve its

The local matrix distribution and the functional development of tissue engineered cartilage, a finite element study.

PubMed

Sengers, B G; Van Donkelaar, C C; Oomens, C W J; Baaijens, F P T

2004-12-01

Assessment of the functionality of tissue engineered cartilage constructs is hampered by the lack of correlation between global measurements of extra cellular matrix constituents and the global mechanical properties. Based on patterns of matrix deposition around individual cells, it has been hypothesized previously, that mechanical functionality arises when contact occurs between zones of matrix associated with individual cells. The objective of this study is to determine whether the local distribution of newly synthesized extracellular matrix components contributes to the evolution of the mechanical properties of tissue engineered cartilage constructs. A computational homogenization approach was adopted, based on the concept of a periodic representative volume element. Local transport and immobilization of newly synthesized matrix components were described. Mechanical properties were taken dependent on the local matrix concentration and subsequently the global aggregate modulus and hydraulic permeability were derived. The transport parameters were varied to assess the effect of the evolving matrix distribution during culture. The results indicate that the overall stiffness and permeability are to a large extent insensitive to differences in local matrix distribution. This emphasizes the need for caution in the visual interpretation of tissue functionality from histology and underlines the importance of complementary measurements of the matrix's intrinsic molecular organization.

An efficient approach to CI: General matrix element formulas for spin-coupled particle-hole excitations

NASA Astrophysics Data System (ADS)

Tavan, Paul; Schulten, Klaus

1980-03-01

A new, efficient algorithm for the evaluation of the matrix elements of the CI Hamiltonian in the basis of spin-coupled ν-fold excitations (over orthonormal orbitals) is developed for even electron systems. For this purpose we construct an orthonormal, spin-adapted CI basis in the framework of second quantization. As a prerequisite, spin and space parts of the fermion operators have to be separated; this makes it possible to introduce the representation theory of the permutation group. The ν-fold excitation operators are Serber spin-coupled products of particle-hole excitations. This construction is also designed for CI calculations from multireference (open-shell) states. The 2N-electron Hamiltonian is expanded in terms of spin-coupled particle-hole operators which map any ν-fold excitation on ν-, and ν±1-, and ν±2-fold excitations. For the calculation of the CI matrix this leaves one with only the evaluation of overlap matrix elements between spin-coupled excitations. This leads to a set of ten general matrix element formulas which contain Serber representation matrices of the permutation group Sν×Sν as parameters. Because of the Serber structure of the CI basis these group-theoretical parameters are kept to a minimum such that they can be stored readily in the central memory of a computer for ν?4 and even for higher excitations. As the computational effort required to obtain the CI matrix elements from the general formulas is very small, the algorithm presented appears to constitute for even electron systems a promising alternative to existing CI methods for multiply excited configurations, e.g., the unitary group approach. Our method makes possible the adaptation of spatial symmetries and the selection of any subset of configurations. The algorithm has been implemented in a computer program and tested extensively for ν?4 and singlet ground and excited states.

Performance evaluation of matrix gradient coils.

PubMed

Jia, Feng; Schultz, Gerrit; Testud, Frederik; Welz, Anna Masako; Weber, Hans; Littin, Sebastian; Yu, Huijun; Hennig, Jürgen; Zaitsev, Maxim

2016-02-01

In this paper, we present a new performance measure of a matrix coil (also known as multi-coil) from the perspective of efficient, local, non-linear encoding without explicitly considering target encoding fields. An optimization problem based on a joint optimization for the non-linear encoding fields is formulated. Based on the derived objective function, a figure of merit of a matrix coil is defined, which is a generalization of a previously known resistive figure of merit for traditional gradient coils. A cylindrical matrix coil design with a high number of elements is used to illustrate the proposed performance measure. The results are analyzed to reveal novel features of matrix coil designs, which allowed us to optimize coil parameters, such as number of coil elements. A comparison to a scaled, existing multi-coil is also provided to demonstrate the use of the proposed performance parameter. The assessment of a matrix gradient coil profits from using a single performance parameter that takes the local encoding performance of the coil into account in relation to the dissipated power.

Axisymmetric micromechanics of elastic-perfectly plastic fibrous composites under uniaxial tension loading

NASA Technical Reports Server (NTRS)

Lee, Jong-Won; Allen, David H.

1993-01-01

The uniaxial response of a continuous fiber elastic-perfectly plastic composite is modeled herein as a two-element composite cylinder. An axisymmetric analytical micromechanics solution is obtained for the rate-independent elastic-plastic response of the two-element composite cylinder subjected to tensile loading in the fiber direction for the case wherein the core fiber is assumed to be a transversely isotropic elastic-plastic material obeying the Tsai-Hill yield criterion, with yielding simulating fiber failure. The matrix is assumed to be an isotropic elastic-plastic material obeying the Tresca yield criterion. It is found that there are three different circumstances that depend on the fiber and matrix properties: fiber yield, followed by matrix yielding; complete matrix yield, followed by fiber yielding; and partial matrix yield, followed by fiber yielding, followed by complete matrix yield. The order in which these phenomena occur is shown to have a pronounced effect on the predicted uniaxial effective composite response.

GR@PPA 2.8: Initial-state jet matching for weak-boson production processes at hadron collisions

NASA Astrophysics Data System (ADS)

Odaka, Shigeru; Kurihara, Yoshimasa

2012-04-01

The initial-state jet matching method introduced in our previous studies has been applied to the event generation of single W and Z production processes and diboson (WW, WZ and ZZ) production processes at hadron collisions in the framework of the GR@PPA event generator. The generated events reproduce the transverse momentum spectra of weak bosons continuously in the entire kinematical region. The matrix elements (ME) for hard interactions are still at the tree level. As in previous versions, the decays of weak bosons are included in the matrix elements. Therefore, spin correlations and phase-space effects in the decay of weak bosons are exact at the tree level. The program package includes custom-made parton shower programs as well as ME-based hard interaction generators in order to achieve self-consistent jet matching. The generated events can be passed to general-purpose event generators to make the simulation proceed down to the hadron level. Catalogue identifier: ADRH_v3_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADRH_v3_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.: 112 146 No. of bytes in distributed program, including test data, etc.: 596 667 Distribution format: tar.gz Programming language: Fortran; with some included libraries coded in C and C++ Computer: All Operating system: Any UNIX-like system RAM: 1.6 Mega bytes at minimum Classification: 11.2 Catalogue identifier of previous version: ADRH_v2_0 Journal reference of previous version: Comput. Phys. Comm. 175 (2006) 665 External routines: Bash and Perl for the setup, and CERNLIB, ROOT, LHAPDF, PYTHIA according to the user's choice. Does the new version supersede the previous version?: No, this version supports only a part of the processes included in the previous versions. Nature of problem: We need to combine those processes including 0 jet and 1 jet in the matrix elements using an appropriate matching method, in order to simulate weak-boson production processes in the entire kinematical region. Solution method: The leading logarithmic components to be included in parton distribution functions and parton showers are subtracted from 1-jet matrix elements. Custom-made parton shower programs are provided to ensure satisfactory performance of the matching method. Reasons for new version: An initial-state jet matching method has been implemented. Summary of revisions: Weak-boson production processes associated with 0 jet and 1 jet can be consistently merged using the matching method. Restrictions: The built-in parton showers are not compatible with the PYTHIA new PS and the HERWIG PS. Unusual features: A large number of particles may be produced by the parton showers and passed to general-purpose event generators. Running time: About 10 min for initialization plus 25 s for every 1k-event generation for W production in the LHC condition, on a 3.0-GHz Intel Xeon processor with the default setting.

High temperature deformation mechanism in hierarchical and single precipitate strengthened ferritic alloys by in situ neutron diffraction studies

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

Song, Gian; Sun, Zhiqian; Li, Lin

Here, the ferritic Fe-Cr-Ni-Al-Ti alloys strengthened by hierarchical-Ni 2TiAl/NiAl or single-Ni 2TiAl precipitates have been developed and received great attentions due to their superior creep resistance, as compared to conventional ferritic steels. Although the significant improvement of the creep resistance is achieved in the hierarchical-precipitate-strengthened ferritic alloy, the in-depth understanding of its high-temperature deformation mechanisms is essential to further optimize the microstructure and mechanical properties, and advance the development of the creep resistant materials. In the present study, in-situ neutron diffraction has been used to investigate the evolution of elastic strain of constitutive phases and their interactions, such as load-transfer/load-relaxationmore » behavior between the precipitate and matrix, during tensile deformation and stress relaxation at 973 K, which provide the key features in understanding the governing deformation mechanisms. Crystal-plasticity finite-element simulations were employed to qualitatively compare the experimental evolution of the elastic strain during tensile deformation at 973 K. It was found that the coherent elastic strain field in the matrix, created by the lattice misfit between the matrix and precipitate phases for the hierarchical-precipitate-strengthened ferritic alloy, is effective in reducing the diffusional relaxation along the interface between the precipitate and matrix phases, which leads to the strong load-transfer capability from the matrix to precipitate.« less

High Temperature Deformation Mechanism in Hierarchical and Single Precipitate Strengthened Ferritic Alloys by In Situ Neutron Diffraction Studies

PubMed Central

Song, Gian; Sun, Zhiqian; Li, Lin; Clausen, Bjørn; Zhang, Shu Yan; Gao, Yanfei; Liaw, Peter K.

2017-01-01

The ferritic Fe-Cr-Ni-Al-Ti alloys strengthened by hierarchical-Ni2TiAl/NiAl or single-Ni2TiAl precipitates have been developed and received great attentions due to their superior creep resistance, as compared to conventional ferritic steels. Although the significant improvement of the creep resistance is achieved in the hierarchical-precipitate-strengthened ferritic alloy, the in-depth understanding of its high-temperature deformation mechanisms is essential to further optimize the microstructure and mechanical properties, and advance the development of the creep resistant materials. In the present study, in-situ neutron diffraction has been used to investigate the evolution of elastic strain of constitutive phases and their interactions, such as load-transfer/load-relaxation behavior between the precipitate and matrix, during tensile deformation and stress relaxation at 973 K, which provide the key features in understanding the governing deformation mechanisms. Crystal-plasticity finite-element simulations were employed to qualitatively compare the experimental evolution of the elastic strain during tensile deformation at 973 K. It was found that the coherent elastic strain field in the matrix, created by the lattice misfit between the matrix and precipitate phases for the hierarchical-precipitate-strengthened ferritic alloy, is effective in reducing the diffusional relaxation along the interface between the precipitate and matrix phases, which leads to the strong load-transfer capability from the matrix to precipitate. PMID:28387230

High temperature deformation mechanism in hierarchical and single precipitate strengthened ferritic alloys by in situ neutron diffraction studies

DOE PAGES

Song, Gian; Sun, Zhiqian; Li, Lin; ...

2017-04-07

Here, the ferritic Fe-Cr-Ni-Al-Ti alloys strengthened by hierarchical-Ni 2TiAl/NiAl or single-Ni 2TiAl precipitates have been developed and received great attentions due to their superior creep resistance, as compared to conventional ferritic steels. Although the significant improvement of the creep resistance is achieved in the hierarchical-precipitate-strengthened ferritic alloy, the in-depth understanding of its high-temperature deformation mechanisms is essential to further optimize the microstructure and mechanical properties, and advance the development of the creep resistant materials. In the present study, in-situ neutron diffraction has been used to investigate the evolution of elastic strain of constitutive phases and their interactions, such as load-transfer/load-relaxationmore » behavior between the precipitate and matrix, during tensile deformation and stress relaxation at 973 K, which provide the key features in understanding the governing deformation mechanisms. Crystal-plasticity finite-element simulations were employed to qualitatively compare the experimental evolution of the elastic strain during tensile deformation at 973 K. It was found that the coherent elastic strain field in the matrix, created by the lattice misfit between the matrix and precipitate phases for the hierarchical-precipitate-strengthened ferritic alloy, is effective in reducing the diffusional relaxation along the interface between the precipitate and matrix phases, which leads to the strong load-transfer capability from the matrix to precipitate.« less

EPS in Environmental Microbial Biofilms as Examined by Advanced Imaging Techniques

NASA Astrophysics Data System (ADS)

Neu, T. R.; Lawrence, J. R.

2006-12-01

Biofilm communities are highly structured associations of cellular and polymeric components which are involved in biogenic and geogenic environmental processes. Furthermore, biofilms are also important in medical (infection), industrial (biofouling) and technological (biofilm engineering) processes. The interfacial microbial communities in a specific habitat are highly dynamic and change according to the environmental parameters affecting not only the cellular but also the polymeric constituents of the system. Through their EPS biofilms interact with dissolved, colloidal and particulate compounds from the bulk water phase. For a long time the focus in biofilm research was on the cellular constituents in biofilms and the polymer matrix in biofilms has been rather neglected. The polymer matrix is produced not only by different bacteria and archaea but also by eukaryotic micro-organisms such as algae and fungi. The mostly unidentified mixture of EPS compounds is responsible for many biofilm properties and is involved in biofilm functionality. The chemistry of the EPS matrix represents a mixture of polymers including polysaccharides, proteins, nucleic acids, neutral polymers, charged polymers, amphiphilic polymers and refractory microbial polymers. The analysis of the EPS may be done destructively by means of extraction and subsequent chemical analysis or in situ by means of specific probes in combination with advanced imaging. In the last 15 years laser scanning microscopy (LSM) has been established as an indispensable technique for studying microbial communities. LSM with 1-photon and 2-photon excitation in combination with fluorescence techniques allows 3-dimensional investigation of fully hydrated, living biofilm systems. This approach is able to reveal data on biofilm structural features as well as biofilm processes and interactions. The fluorescent probes available allow the quantitative assessment of cellular as well as polymer distribution. For this purpose lectin-binding- analysis has been suggested as a suitable approach to image glycoconjugates within the polymer matrix of biofilm communities. More recently synchrotron radiation is increasingly recognized as a powerful tool for studying biological samples. Hard X-ray excitation can be used to map elemental composition whereas IR imaging allows examination of biological macromolecules. A further technique called soft X-ray scanning transmission microscopy (STXM) has the advantage of both techniques and may be employed to detect elements as well as biomolecules. Using the appropriate spectra, near edge X-ray absorption fine structure (NEXAFS) microscopy allows quantitative chemical mapping at 50 nm resolution. In this presentation the applicability of LSM and STXM will be demonstrated using several examples of different environmental biofilm systems. The techniques in combination provide a new view of complex microbial communities and their interaction with the environment. These advanced imaging techniques offer the possibility to study the spatial structure of cellular and polymeric compounds in biofilms as well as biofilm microhabitats, biofilm functionality and biofilm processes.

Mueller matrix polarimetry for characterizing microstructural variation of nude mouse skin during tissue optical clearing.

PubMed

Chen, Dongsheng; Zeng, Nan; Xie, Qiaolin; He, Honghui; Tuchin, Valery V; Ma, Hui

2017-08-01

We investigate the polarization features corresponding to changes in the microstructure of nude mouse skin during immersion in a glycerol solution. By comparing the Mueller matrix imaging experiments and Monte Carlo simulations, we examine in detail how the Mueller matrix elements vary with the immersion time. The results indicate that the polarization features represented by Mueller matrix elements m22&m33&m44 and the absolute values of m34&m43 are sensitive to the immersion time. To gain a deeper insight on how the microstructures of the skin vary during the tissue optical clearing (TOC), we set up a sphere-cylinder birefringence model (SCBM) of the skin and carry on simulations corresponding to different TOC mechanisms. The good agreement between the experimental and simulated results confirm that Mueller matrix imaging combined with Monte Carlo simulation is potentially a powerful tool for revealing microscopic features of biological tissues.

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.

Determination of 18 kinds of trace impurities in the vanadium battery grade vanadyl sulfate by ICP-OES

NASA Astrophysics Data System (ADS)

Yong, Cheng

2018-03-01

The method that direct determination of 18 kinds of trace impurities in the vanadium battery grade vanadyl sulfate by inductively coupled plasma atomic emission spectrometry (ICP-OES) was established, and the detection range includes 0.001% ∼ 0.100% of Fe, Cr, Ni, Cu, Mn, Mo, Pb, As, Co, P, Ti, Zn and 0.005% ∼ 0.100% of K, Na, Ca, Mg, Si, Al. That the influence of the matrix effects, spectral interferences and background continuum superposition in the high concentrations of vanadium ions and sulfate coexistence system had been studied, and then the following conclusions were obtained: the sulfate at this concentration had no effect on the determination, but the matrix effects or continuous background superposition which were generated by high concentration of vanadium ions had negative interference on the determination of potassium and sodium, and it produced a positive interference on the determination of the iron and other impurity elements, so that the impacts of high vanadium matrix were eliminated by the matrix matching and combining synchronous background correction measures. Through the spectral interference test, the paper classification summarized the spectral interferences of vanadium matrix and between the impurity elements, and the analytical lines, the background correction regions and working parameters of the spectrometer were all optimized. The technical performance index of the analysis method is that the background equivalent concentration -0.0003%(Na)~0.0004%(Cu), the detection limit of the element is 0.0001%∼ 0.0003%, RSD<10% when the element content is in the range from 0.001% to 0.007%, RSD< 20% even if the element content is in the range from 0.0001% to 0.001% that is beyond the scope of the method of detection, recoveries is 91.0% ∼ 110.0%.

QRAP: A numerical code for projected (Q)uasiparticle (RA)ndom (P)hase approximation

NASA Astrophysics Data System (ADS)

Samana, A. R.; Krmpotić, F.; Bertulani, C. A.

2010-06-01

A computer code for quasiparticle random phase approximation - QRPA and projected quasiparticle random phase approximation - PQRPA models of nuclear structure is explained in details. The residual interaction is approximated by a simple δ-force. An important application of the code consists in evaluating nuclear matrix elements involved in neutrino-nucleus reactions. As an example, cross sections for 56Fe and 12C are calculated and the code output is explained. The application to other nuclei and the description of other nuclear and weak decay processes are also discussed. Program summaryTitle of program: QRAP ( Quasiparticle RAndom Phase approximation) Computers: The code has been created on a PC, but also runs on UNIX or LINUX machines Operating systems: WINDOWS or UNIX Program language used: Fortran-77 Memory required to execute with typical data: 16 Mbytes of RAM memory and 2 MB of hard disk space No. of lines in distributed program, including test data, etc.: ˜ 8000 No. of bytes in distributed program, including test data, etc.: ˜ 256 kB Distribution format: tar.gz Nature of physical problem: The program calculates neutrino- and antineutrino-nucleus cross sections as a function of the incident neutrino energy, and muon capture rates, using the QRPA or PQRPA as nuclear structure models. Method of solution: The QRPA, or PQRPA, equations are solved in a self-consistent way for even-even nuclei. The nuclear matrix elements for the neutrino-nucleus interaction are treated as the beta inverse reaction of odd-odd nuclei as function of the transfer momentum. Typical running time: ≈ 5 min on a 3 GHz processor for Data set 1.

Select-divide-and-conquer method for large-scale configuration interaction

NASA Astrophysics Data System (ADS)

Bunge, Carlos F.; Carbó-Dorca, Ramon

2006-07-01

A select-divide-and-conquer variational method to approximate configuration interaction (CI) is presented. Given an orthonormal set made up of occupied orbitals (Hartree-Fock or similar) and suitable correlation orbitals (natural or localized orbitals), a large N-electron target space S is split into subspaces S0,S1,S2,…,SR. S0, of dimension d0, contains all configurations K with attributes (energy contributions, etc.) above thresholds T0≡{T0egy,T0etc.}; the CI coefficients in S0 remain always free to vary. S1 accommodates Ks with attributes above T1⩽T0. An eigenproblem of dimension d0+d1 for S0+S1 is solved first, after which the last d1 rows and columns are contracted into a single row and column, thus freezing the last d1 CI coefficients hereinafter. The process is repeated with successive Sj(j ⩾2) chosen so that corresponding CI matrices fit random access memory (RAM). Davidson's eigensolver is used R times. The final energy eigenvalue (lowest or excited one) is always above the corresponding exact eigenvalue in S. Threshold values {Tj;j=0,1,2,…,R} regulate accuracy; for large-dimensional S, high accuracy requires S0+S1 to be solved outside RAM. From there on, however, usually a few Davidson iterations in RAM are needed for each step, so that Hamiltonian matrix-element evaluation becomes rate determining. One μhartree accuracy is achieved for an eigenproblem of order 24×106, involving 1.2×1012 nonzero matrix elements, and 8.4×109 Slater determinants.

Cell–material interactions on biphasic polyurethane matrix

PubMed Central

Dicesare, Patrick; Fox, Wade M.; Hill, Michael J.; Krishnan, G. Rajesh; Yang, Shuying; Sarkar, Debanjan

2013-01-01

Cell–matrix interaction is a key regulator for controlling stem cell fate in regenerative tissue engineering. These interactions are induced and controlled by the nanoscale features of extracellular matrix and are mimicked on synthetic matrices to control cell structure and functions. Recent studies have shown that nanostructured matrices can modulate stem cell behavior and exert specific role in tissue regeneration. In this study, we have demonstrated that nanostructured phase morphology of synthetic matrix can control adhesion, proliferation, organization and migration of human mesenchymal stem cells (MSCs). Nanostructured biodegradable polyurethanes (PU) with segmental composition exhibit biphasic morphology at nanoscale dimensions and can control cellular features of MSCs. Biodegradable PU with polyester soft segment and hard segment composed of aliphatic diisocyanates and dipeptide chain extender were designed to examine the effect polyurethane phase morphology. By altering the polyurethane composition, morphological architecture of PU was modulated and its effect was examined on MSC. Results show that MSCs can sense the nanoscale morphology of biphasic polyurethane matrix to exhibit distinct cellular features and, thus, signifies the relevance of matrix phase morphology. The role of nanostructured phases of a synthetic matrix in controlling cell–matrix interaction provides important insights for regulation of cell behavior on synthetic matrix and, therefore, is an important tool for engineering tissue regeneration. PMID:23255285

Violations of K-Conservation in 178Hf

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

Hayes, A. B.; Cline, D.; Wu, C. Y.

2006-03-13

Coulomb excitation of K{pi}=6+(t1/2=77 ns), 8-(t1/2=4.0 s) and 16+(t1/2=31 y) 178Hf isomers has led to the measurement of a set of E{lambda} matrix elements, coupling the isomer bands to the {gamma}- and ground state bands. The resulting matrix elements, derived using a coupled-channel semiclassical Coulomb excitation search code, have been used to probe the K-components in the wave functions and revealed the onset and saturation of K-mixing in low-K bands, whereas K-mixing is negligible in the high-K bands. The implications can be applied to other quadrupole-deformed nuclei. An upper limit on the Coulomb depopulation yield of the 16+ isomer wasmore » calculated based on the present set of matrix elements.« less

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.

Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules

NASA Astrophysics Data System (ADS)

Zhang, Linda Yu; Friesner, Richard A.; Murphy, Robert B.

1997-07-01

Using a diabatic state formalism and pseudospectral numerical methods, we have developed an efficient ab initio quantum chemical approach to the calculation of electron transfer matrix elements for large molecules. The theory is developed at the Hartree-Fock level and validated by comparison with results in the literature for small systems. As an example of the power of the method, we calculate the electronic coupling between two bacteriochlorophyll molecules in various intermolecular geometries. Only a single self-consistent field (SCF) calculation on each of the monomers is needed to generate coupling matrix elements for all of the molecular pairs. The largest calculations performed, utilizing 1778 basis functions, required ˜14 h on an IBM 390 workstation. This is considerably less cpu time than would be necessitated with a supermolecule adiabatic state calculation and a conventional electronic structure code.

A comparison between different finite elements for elastic and aero-elastic analyses.

PubMed

Mahran, Mohamed; ELsabbagh, Adel; Negm, Hani

2017-11-01

In the present paper, a comparison between five different shell finite elements, including the Linear Triangular Element, Linear Quadrilateral Element, Linear Quadrilateral Element based on deformation modes, 8-node Quadrilateral Element, and 9-Node Quadrilateral Element was presented. The shape functions and the element equations related to each element were presented through a detailed mathematical formulation. Additionally, the Jacobian matrix for the second order derivatives was simplified and used to derive each element's strain-displacement matrix in bending. The elements were compared using carefully selected elastic and aero-elastic bench mark problems, regarding the number of elements needed to reach convergence, the resulting accuracy, and the needed computation time. The best suitable element for elastic free vibration analysis was found to be the Linear Quadrilateral Element with deformation-based shape functions, whereas the most suitable element for stress analysis was the 8-Node Quadrilateral Element, and the most suitable element for aero-elastic analysis was the 9-Node Quadrilateral Element. Although the linear triangular element was the last choice for modal and stress analyses, it establishes more accurate results in aero-elastic analyses, however, with much longer computation time. Additionally, the nine-node quadrilateral element was found to be the best choice for laminated composite plates analysis.

Novel method of optical image registration in wide wavelength range using matrix of piezoelectric crystals

NASA Astrophysics Data System (ADS)

Pigarev, Aleksey V.; Bazarov, Timur O.; Fedorov, Vladimir V.; Ryabushkin, Oleg A.

2018-02-01

Most modern systems of the optical image registration are based on the matrices of photosensitive semiconductor heterostructures. However, measurement of radiation intensities up to several MW/cm2 -level using such detectors is a great challenge because semiconductor elements have low optical damage threshold. Reflecting or absorbing filters that can be used for attenuation of radiation intensity, as a rule, distort beam profile. Furthermore, semiconductor based devices have relatively narrow measurement wavelength bandwidth. We introduce a novel matrix method of optical image registration. This approach doesn't require any attenuation when measuring high radiation intensities. A sensitive element is the matrix made of thin transparent piezoelectric crystals that absorb just a small part of incident optical power. Each crystal element has its own set of intrinsic (acoustic) vibration modes. These modes can be exited due to the inverse piezoelectric effect when the external electric field is applied to the crystal sample providing that the field frequency corresponds to one of the vibration mode frequencies. Such piezoelectric resonances (PR) can be observed by measuring the radiofrequency response spectrum of the crystal placed between the capacitor plates. PR frequencies strongly depend on the crystal temperature. Temperature calibration of PR frequencies is conducted in the uniform heating conditions. In the case a crystal matrix is exposed to the laser radiation the incident power can be obtained separately for each crystal element by measuring its PR frequency kinetics providing that the optical absorption coefficient is known. The operating wavelength range of such sensor is restricted by the transmission bandwidth of the applied crystals. A plane matrix constituting of LiNbO3 crystals was assembled in order to demonstrate the possibility of application of the proposed approach. The crystal elements were placed between two electrodes forming a capacitor which was interconnected to the lock-in detection system. The radiofrequency response to the applied voltage from the generator was measured simultaneously for all elements.

From mantle peridotites to hybrid troctolites: Textural, structural and geochemical evolution during multi-stage melt-rock interaction history

NASA Astrophysics Data System (ADS)

Basch, V.; Rampone, E.; Crispini, L.; Ferrando, C.; Ildefonse, B.; Godard, M.

2017-12-01

Recent studies investigate the replacive formation of hybrid troctolites from mantle peridotites after multiple stages of melt-rock reactions. However, none of these studies are conducted in a field-controlled geological setting displaying the clear evolution from peridotite to dunite to troctolite. We investigated the Mt.Maggiore and Erro Tobbio ophiolitic peridotites. They both preserve structural and chemical records of two distinct melt-rock interaction stages, from a reactive melt percolation at spinel facies to plagioclase-bearing melt impregnation at shallower lithospheric depths. We performed EBSD and in situ geochemical analyses to document the textural, structural and geochemical variations of the olivine matrix during melt-rock interactions and the associated evolution from peridotite to dunite to troctolite. The olivine-saturated reactive melt percolation leads to the dissolution of mantle pyroxenes in peridotite, and to the formation of replacive dunite. At shallower level, melt impregnation leads to the crystallization of plagioclase in the dunite, and to the formation of hybrid troctolite. The latter is characterized by textural, structural and geochemical features acquired during dunitization and impregnation processes. We documented a textural evolution of the olivine matrix (decrease in grain area, tortuosity and aspect ratio) during impregnation, with a progressive corrosion of mantle olivines by a reactive melt. As a result, olivine in the hybrid troctolites occurs both as coarse deformed relicts and disrupted undeformed grains. During melt-rock interactions, the variation in olivine Crystallographic Preferred Orientation is related to the local melt/rock ratio involved in the percolation process. At high melt/rock ratio, a change from axial-[100] to axial-[010] is observed, with the disaggregation of the solid matrix. REE-enriched compositions are observed in olivine of dunites and troctolites. A geochemical modeling of melt-rock interactions (Plate Model) fits the observed evolution of modal composition with the measured trace element composition variability. The combined field, structural, and geochemical investigation of the evolution from a mantle protolith to the product of the reactions truly supports the hybrid origin of an olivine-rich troctolite.

Studies on transport phenomena in electrothermal vaporization sample introduction applied to inductively coupled plasma for optical emission and mass spectrometry

NASA Astrophysics Data System (ADS)

Kántor, T.; Maestre, S.; de Loos-Vollebregt, M. T. C.

2005-10-01

In the present work electrothermal vaporization (ETV) was used in both inductively coupled plasma mass spectrometry (ICP-MS) and optical emission spectrometry (OES) for sample introduction of solution samples. The effect of (Pd + Mg)-nitrate modifier and CaCl 2 matrix/modifier of variable amounts were studied on ETV-ICP-MS signals of Cr, Cu, Fe, Mn and Pb and on ETV-ICP-OES signals of Ag, Cd, Co, Cu, Fe, Ga, Mn and Zn. With the use of matrix-free standard solutions the analytical curves were bent to the signal axes (as expected from earlier studies), which was observed in the 20-800 pg mass range by ICP-MS and in the 1-50 ng mass range by ICP-OES detection. The degree of curvature was, however, different with the use of single element and multi-element standards. When applying the noted chemical modifiers (aerosol carriers) in microgram amounts, linear analytical curves were found in the nearly two orders of magnitude mass ranges. Changes of the CaCl 2 matrix concentration (loaded amount of 2-10 μg Ca) resulted in less than 5% changes in MS signals of 5 elements (each below 1 ng) and OES signals of 22 analytes (each below 15 ng). Exceptions were Pb (ICP-MS) and Cd (ICP-OES), where the sensitivity increase by Pd + Mg modifier was much larger compared to other elements studied. The general conclusions suggest that quantitative analysis with the use of ETV sample introduction requires matrix matching or matrix replacement by appropriate chemical modifier to the specific concentration ranges of analytes. This is a similar requirement to that claimed also by the most commonly used pneumatic nebulization of solutions, if samples with high matrix concentration are concerned.

Preparation and application of conducting polymer/Ag/clay composite nanoparticles formed by in situ UV-induced dispersion polymerization

PubMed Central

Zang, Limin; Qiu, Jianhui; Yang, Chao; Sakai, Eiichi

2016-01-01

In this work, composite nanoparticles containing polypyrrole, silver and attapulgite (PPy/Ag/ATP) were prepared via UV-induced dispersion polymerization of pyrrole using ATP clay as a templet and silver nitrate as photoinitiator. The effects of ATP concentration on morphology, structure and electrical conductivity were studied. The obtained composite nanoparticles with an interesting beads-on-a-string morphology can be obtained in a short time (10 min), which indicates the preparation method is facile and feasible. To explore the potential applications of the prepared PPy/Ag/ATP composite nanoparticles, they were served as multifunctional filler and blended with poly(butylene succinate) (PBS) matrix to prepare biodegradable composite material. The distribution of fillers in polymer matrix and the interfacial interaction between fillers and PBS were confirmed by scanning electron microscope, elemental mapping and dynamic mechanical analysis. The well dispersed fillers in PBS matrix impart outstanding antibacterial property to the biodegradable composite material as well as enhanced storage modulus due to Ag nanoparticles and ATP clay. The biodegradable composite material also possesses modest surface resistivity (106 ~ 109 Ω/◻). PMID:26839126

Core-shell hydrogel beads with extracellular matrix for tumor spheroid formation.

PubMed

Yu, L; Grist, S M; Nasseri, S S; Cheng, E; Hwang, Y-C E; Ni, C; Cheung, K C

2015-03-01

Creating multicellular tumor spheroids is critical for characterizing anticancer treatments since they may provide a better model of the tumor than conventional monolayer culture. Moreover, tumor cell interaction with the extracellular matrix can determine cell organization and behavior. In this work, a microfluidic system was used to form cell-laden core-shell beads which incorporate elements of the extracellular matrix and support the formation of multicellular spheroids. The bead core (comprising a mixture of alginate, collagen, and reconstituted basement membrane, with gelation by temperature control) and shell (comprising alginate hydrogel, with gelation by ionic crosslinking) were simultaneously formed through flow focusing using a cooled flow path into the microfluidic chip. During droplet gelation, the alginate acts as a fast-gelling shell which aids in preventing droplet coalescence and in maintaining spherical droplet geometry during the slower gelation of the collagen and reconstituted basement membrane components as the beads warm up. After droplet gelation, the encapsulated MCF-7 cells proliferated to form uniform spheroids when the beads contained all three components: alginate, collagen, and reconstituted basement membrane. The dose-dependent response of the MCF-7 cell tumor spheroids to two anticancer drugs, docetaxel and tamoxifen, was compared to conventional monolayer culture.

In silico study on the effects of matrix structure in controlled drug release

NASA Astrophysics Data System (ADS)

Villalobos, Rafael; Cordero, Salomón; Maria Vidales, Ana; Domínguez, Armando

2006-07-01

Purpose: To study the effects of drug concentration and spatial distribution of the medicament, in porous solid dosage forms, on the kinetics and total yield of drug release. Methods: Cubic networks are used as models of drug release systems. They were constructed by means of the dual site-bond model framework, which allows a substrate to have adequate geometrical and topological distribution of its pore elements. Drug particles can move inside the networks by following a random walk model with excluded volume interactions between the particles. The drug release time evolution for different drug concentration and different initial drug spatial distribution has been monitored. Results: The numerical results show that in all the studied cases, drug release presents an anomalous behavior, and the consequences of the matrix structural properties, i.e., drug spatial distribution and drug concentration, on the drug release profile have been quantified. Conclusions: The Weibull function provides a simple connection between the model parameters and the microstructure of the drug release device. A critical modeling of drug release from matrix-type delivery systems is important in order to understand the transport mechanisms that are implicated, and to predict the effect of the device design parameters on the release rate.

Preparation and application of conducting polymer/Ag/clay composite nanoparticles formed by in situ UV-induced dispersion polymerization.

PubMed

Zang, Limin; Qiu, Jianhui; Yang, Chao; Sakai, Eiichi

2016-02-03

In this work, composite nanoparticles containing polypyrrole, silver and attapulgite (PPy/Ag/ATP) were prepared via UV-induced dispersion polymerization of pyrrole using ATP clay as a templet and silver nitrate as photoinitiator. The effects of ATP concentration on morphology, structure and electrical conductivity were studied. The obtained composite nanoparticles with an interesting beads-on-a-string morphology can be obtained in a short time (10 min), which indicates the preparation method is facile and feasible. To explore the potential applications of the prepared PPy/Ag/ATP composite nanoparticles, they were served as multifunctional filler and blended with poly(butylene succinate) (PBS) matrix to prepare biodegradable composite material. The distribution of fillers in polymer matrix and the interfacial interaction between fillers and PBS were confirmed by scanning electron microscope, elemental mapping and dynamic mechanical analysis. The well dispersed fillers in PBS matrix impart outstanding antibacterial property to the biodegradable composite material as well as enhanced storage modulus due to Ag nanoparticles and ATP clay. The biodegradable composite material also possesses modest surface resistivity (10(6)~ 10(9) Ω/◻).

Experimental and numerical analysis of the constitutive equation of rubber composites reinforced with random ceramic particle

NASA Astrophysics Data System (ADS)

Luo, D. M.; Xie, Y.; Su, X. R.; Zhou, Y. L.

2018-01-01

Based on the four classical models of Mooney-Rivlin (M-R), Yeoh, Ogden and Neo-Hookean (N-H) model, a strain energy constitutive equation with large deformation for rubber composites reinforced with random ceramic particles is proposed from the angle of continuum mechanics theory in this paper. By decoupling the interaction between matrix and random particles, the strain energy of each phase is obtained to derive the explicit constitutive equation for rubber composites. The tests results of uni-axial tensile, pure shear and equal bi-axial tensile are simulated by the non-linear finite element method on the ANSYS platform. The results from finite element method are compared with those from experiment, and the material parameters are determined by fitting the results from different test conditions, and the influence of radius of random ceramic particles on the effective mechanical properties are analyzed.

Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme

NASA Astrophysics Data System (ADS)

Angeli, C.; Cimiraglia, R.

2005-02-01

Starting from a CAS-SCF calculation a sequence of contracted functions can be generated by applying strings of spin-traced replacement operators to the CAS-SCF solution. The laborious task of producing the Hamiltonian matrix elements between such functions can be substantially reduced making use of a computer algebra system. An implementation employing the MuPAD system is presented and illustrated.

Nanocrystal dispersed amorphous alloys

NASA Technical Reports Server (NTRS)

Perepezko, John H. (Inventor); Allen, Donald R. (Inventor); Foley, James C. (Inventor)

2001-01-01

Compositions and methods for obtaining nanocrystal dispersed amorphous alloys are described. A composition includes an amorphous matrix forming element (e.g., Al or Fe); at least one transition metal element; and at least one crystallizing agent that is insoluble in the resulting amorphous matrix. During devitrification, the crystallizing agent causes the formation of a high density nanocrystal dispersion. The compositions and methods provide advantages in that materials with superior properties are provided.

The Direct Effect of Toroidal Magnetic Fields on Stellar Oscillations: An Analytical Expression for the General Matrix Element

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

Kiefer, René; Schad, Ariane; Roth, Markus

2017-09-10

Where is the solar dynamo located and what is its modus operandi? These are still open questions in solar physics. Helio- and asteroseismology can help answer them by enabling us to study solar and stellar internal structures through global oscillations. The properties of solar and stellar acoustic modes are changing with the level of magnetic activity. However, until now, the inference on subsurface magnetic fields with seismic measures has been very limited. The aim of this paper is to develop a formalism to calculate the effect of large-scale toroidal magnetic fields on solar and stellar global oscillation eigenfunctions and eigenfrequencies.more » If the Lorentz force is added to the equilibrium equation of motion, stellar eigenmodes can couple. In quasi-degenerate perturbation theory, this coupling, also known as the direct effect, can be quantified by the general matrix element. We present the analytical expression of the matrix element for a superposition of subsurface zonal toroidal magnetic field configurations. The matrix element is important for forward calculations of perturbed solar and stellar eigenfunctions and frequency perturbations. The results presented here will help to ascertain solar and stellar large-scale subsurface magnetic fields, and their geometric configuration, strength, and change over the course of activity cycles.« less

Double-β decay matrix elements from lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Savage, Martin J.; Shanahan, Phiala E.; Nplqcd Collaboration

2017-09-01

A lattice quantum chromodynamics (LQCD) calculation of the nuclear matrix element relevant to the n n →p p e e ν¯eν¯e transition is described in detail, expanding on the results presented in Ref. [P. E. Shanahan et al., Phys. Rev. Lett. 119, 062003 (2017), 10.1103/PhysRevLett.119.062003]. This matrix element, which involves two insertions of the weak axial current, is an important input for phenomenological determinations of double-β decay rates of nuclei. From this exploratory study, performed using unphysical values of the quark masses, the long-distance deuteron-pole contribution to the matrix element is separated from shorter-distance hadronic contributions. This polarizability, which is only accessible in double-weak processes, cannot be constrained from single-β decay of nuclei, and is found to be smaller than the long-distance contributions in this calculation, but non-negligible. In this work, technical aspects of the LQCD calculations, and of the relevant formalism in the pionless effective field theory, are described. Further calculations of the isotensor axial polarizability, in particular near and at the physical values of the light-quark masses, are required for precise determinations of both two-neutrino and neutrinoless double-β decay rates in heavy nuclei.

The Direct Effect of Toroidal Magnetic Fields on Stellar Oscillations: An Analytical Expression for the General Matrix Element

NASA Astrophysics Data System (ADS)

Kiefer, René; Schad, Ariane; Roth, Markus

2017-09-01

Where is the solar dynamo located and what is its modus operandi? These are still open questions in solar physics. Helio- and asteroseismology can help answer them by enabling us to study solar and stellar internal structures through global oscillations. The properties of solar and stellar acoustic modes are changing with the level of magnetic activity. However, until now, the inference on subsurface magnetic fields with seismic measures has been very limited. The aim of this paper is to develop a formalism to calculate the effect of large-scale toroidal magnetic fields on solar and stellar global oscillation eigenfunctions and eigenfrequencies. If the Lorentz force is added to the equilibrium equation of motion, stellar eigenmodes can couple. In quasi-degenerate perturbation theory, this coupling, also known as the direct effect, can be quantified by the general matrix element. We present the analytical expression of the matrix element for a superposition of subsurface zonal toroidal magnetic field configurations. The matrix element is important for forward calculations of perturbed solar and stellar eigenfunctions and frequency perturbations. The results presented here will help to ascertain solar and stellar large-scale subsurface magnetic fields, and their geometric configuration, strength, and change over the course of activity cycles.

Modeling the formation of cell-matrix adhesions on a single 3D matrix fiber.

PubMed

Escribano, J; Sánchez, M T; García-Aznar, J M

2015-11-07

Cell-matrix adhesions are crucial in different biological processes like tissue morphogenesis, cell motility, and extracellular matrix remodeling. These interactions that link cell cytoskeleton and matrix fibers are built through protein clutches, generally known as adhesion complexes. The adhesion formation process has been deeply studied in two-dimensional (2D) cases; however, the knowledge is limited for three-dimensional (3D) cases. In this work, we simulate different local extracellular matrix properties in order to unravel the fundamental mechanisms that regulate the formation of cell-matrix adhesions in 3D. We aim to study the mechanical interaction of these biological structures through a three dimensional discrete approach, reproducing the transmission pattern force between the cytoskeleton and a single extracellular matrix fiber. This numerical model provides a discrete analysis of the proteins involved including spatial distribution, interaction between them, and study of the different phenomena, such as protein clutches unbinding or protein unfolding. Copyright © 2015 Elsevier Ltd. All rights reserved.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

NASA Astrophysics Data System (ADS)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-01

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

PubMed

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Numerical solution of quadratic matrix equations for free vibration analysis of structures

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1975-01-01

This paper is concerned with the efficient and accurate solution of the eigenvalue problem represented by quadratic matrix equations. Such matrix forms are obtained in connection with the free vibration analysis of structures, discretized by finite 'dynamic' elements, resulting in frequency-dependent stiffness and inertia matrices. The paper presents a new numerical solution procedure of the quadratic matrix equations, based on a combined Sturm sequence and inverse iteration technique enabling economical and accurate determination of a few required eigenvalues and associated vectors. An alternative procedure based on a simultaneous iteration procedure is also described when only the first few modes are the usual requirement. The employment of finite dynamic elements in conjunction with the presently developed eigenvalue routines results in a most significant economy in the dynamic analysis of structures.

Electron impact polarization of atomic spectral lines. I - A general theoretical scheme

NASA Technical Reports Server (NTRS)

Fineschi, Silvano; Degl'innocenti, Egidio L.

1992-01-01

A suitable theoretical scheme able to describe, in a wide variety of astrophysical situations, the phenomenon of atomic line polarization by electron impact is developed. Starting from the general principles of quantum mechanics and assuming the Born approximation, the rate equations for the density matrix elements of a multilevel atomic system, interacting with a nonrelativistic electron beam having any kind of angular distribution, are derived in full generality. The resulting theory generalizes the previous ones by accounting for the collisional rates and the cross sections concerning both inelastic and superelastic collisions (in any geometrical situation), and, moreover, by taking into account the coherences among Zeeman sublevels split by a magnetic field. As an example of particular relevance, the general formulas derived in the first sections of the paper are subsequently particularized to the case of the electric dipole interaction.

The effect of the interaction of cracks in orthotropic layered materials under compressive loading.

PubMed

Winiarski, B; Guz, I A

2008-05-28

The non-classical problem of fracture mechanics of composites compressed along the layers with interfacial cracks is analysed. The statement of the problem is based on the model of piecewise homogeneous medium, the most accurate within the framework of the mechanics of deformable bodies as applied to composites. The condition of plane strain state is examined. The layers are modelled by a transversally isotropic material (a matrix reinforced by continuous parallel fibres). The frictionless Hertzian contact of the crack faces is considered. The complex fracture mechanics problem is solved using the finite-element analysis. The shear mode of stability loss is studied. The results are obtained for the typical dispositions of cracks. It was found that the interacting crack faces, the crack length and the mutual position of cracks influence the critical strain in the composite.

Laser-induced breakdown spectroscopy for quantitative spectrochemical analysis of geological materials: effects of the matrix and simultaneous determination.

PubMed

Anzano, Jesús M; Villoria, Mark A; Ruíz-Medina, Antonio; Lasheras, Roberto J

2006-08-11

A microscopic laser-induced breakdown spectrometer was used to evaluate the analytical matrix effect commonly observed in the analysis of geological materials. Samples were analyzed in either the powder or pressed pellet forms. Calibration curves of a number of iron and aluminum compounds showed a linear relationship between the elemental concentration and peak intensity. A direct determination of elemental content can thus be made from extrapolation on these calibration curves. To investigate matrix effects, synthetic model samples were prepared from various iron and aluminum compounds spiked with SiO2 and CaCO3. The addition of these matrices had a pronounced analytical effect on those compounds prepared as pressed pellets. However, results indicated the absence of matrix effects when the samples were presented to the laser as loose powders on tape and results were compared to certified values, indicating the reliability of this approach for accurate analysis, provided the sample particle diameters are greater than approximately 100 microm. Finally, the simultaneous analysis of two different elements was demonstrated using powders on tape.

Development of an X-ray surface analyzer for planetary exploration

NASA Technical Reports Server (NTRS)

Clark, B. C.

1972-01-01

An ultraminiature X-ray fluorescence spectrometer was developed which can obtain data on element composition not provided by present spacecraft instrumentation. The apparatus employs two radioisotope sources (Fe-55 and Cd-109) which irradiate adjacent areas on a soil sample. Fluorescent X-rays emitted by the sample are detected by four thin-window proportional counters. Using pulse-height discrimination, the energy spectra are determined. Virtually all elements above sodium in the periodic table are detected if present at sufficient levels. Minimum detection limits range from 30 ppm to several percent, depending upon the element and the matrix. For most elements, they are below 0.5 percent. Accuracies likewise depend upon the matrix, but are generally better than plus or minus 0.5 percent for all elements of atomic number greater than 14. Elements below sodium are also detected, but as a single group.

Finite element solution for energy conservation using a highly stable explicit integration algorithm

NASA Technical Reports Server (NTRS)

Baker, A. J.; Manhardt, P. D.

1972-01-01

Theoretical derivation of a finite element solution algorithm for the transient energy conservation equation in multidimensional, stationary multi-media continua with irregular solution domain closure is considered. The complete finite element matrix forms for arbitrarily irregular discretizations are established, using natural coordinate function representations. The algorithm is embodied into a user-oriented computer program (COMOC) which obtains transient temperature distributions at the node points of the finite element discretization using a highly stable explicit integration procedure with automatic error control features. The finite element algorithm is shown to posses convergence with discretization for a transient sample problem. The condensed form for the specific heat element matrix is shown to be preferable to the consistent form. Computed results for diverse problems illustrate the versatility of COMOC, and easily prepared output subroutines are shown to allow quick engineering assessment of solution behavior.

Comparison of humus and till as prospecting material in areas of thick overburden and multiple ice-flow events: An example from northeastern New Brunswick

USGS Publications Warehouse

Broster, Bruce E.; Dickson, M.L.; Parkhill, M.A.

2009-01-01

Thirty-nine elements in humus and till matrix were compared at 109 sites overlying Ag-As-Cu-Mo-Pb-Zn mineralized occurrences in northeastern New Brunswick to assess humus for anomaly identification. Humus element concentrations were not consistently correlative with maximum or minimum concentrations found in the underlying till or bedrock. The humus demonstrated significantly higher mean elemental concentrations than the till for six specific elements: 9 times greater for Mn, 6 times greater for Cd, 5 times greater for Ag and Pb, 3 times greater for Hg, and double the concentration of Zn. Spatial dispersal patterns for these elements were much larger for humus content than that exhibited by the till matrix analysis, but did not delineate a point source. For elements in till, the highest concentrations were commonly found directly overlying the underlying mineralized bedrock source or within one km down-glacier of the source. The complexity of the humus geochemical patterns is attributed to the effects of post-glacial biogenic, down-slope hydrodynamic and solifluction modification of dispersed mineralization in the underlying till, and the greater capacity of humus to adsorb cations and form complexes with some elements, relative to the till matrix. Humus sampling in areas of glaciated terrain is considered to be mostly valuable for reconnaissance exploration as elements can be spatially dispersed over a much larger area than that found in the till or underlying bedrock. ?? 2009 Elsevier B.V. All rights reserved.

A finite volume method for trace element diffusion and partitioning during crystal growth

NASA Astrophysics Data System (ADS)

Hesse, Marc A.

2012-09-01

A finite volume method on a uniform grid is presented to compute the polythermal diffusion and partitioning of a trace element during the growth of a porphyroblast crystal in a uniform matrix and in linear, cylindrical and spherical geometry. The motion of the crystal-matrix interface and the thermal evolution are prescribed functions of time. The motion of the interface is discretized and it advances from one cell boundary to next as the prescribed interface position passes the cell center. The appropriate conditions for the flux across the crystal-matrix interface are derived from discrete mass conservation. Numerical results are benchmarked against steady and transient analytic solutions for isothermal diffusion with partitioning and growth. Two applications illustrate the ability of the model to reproduce observed rare-earth element patterns in garnets (Skora et al., 2006) and water concentration profiles around spherulites in obsidian (Watkins et al., 2009). Simulations with diffusion inside the growing crystal show complex concentration evolutions for trace elements with high diffusion coefficients, such as argon or hydrogen, but demonstrate that rare-earth element concentrations in typical metamorphic garnets are not affected by intracrystalline diffusion.

Robust Assignment Of Eigensystems For Flexible Structures

NASA Technical Reports Server (NTRS)

Juang, Jer-Nan; Lim, Kyong B.; Junkins, John L.

1992-01-01

Improved method for placement of eigenvalues and eigenvectors of closed-loop control system by use of either state or output feedback. Applied to reduced-order finite-element mathematical model of NASA's MAST truss beam structure. Model represents deployer/retractor assembly, inertial properties of Space Shuttle, and rigid platforms for allocation of sensors and actuators. Algorithm formulated in real arithmetic for efficient implementation. Choice of open-loop eigenvector matrix and its closest unitary matrix believed suitable for generating well-conditioned eigensystem with small control gains. Implication of this approach is that element of iterative search for "optimal" unitary matrix appears unnecessary in practice for many test problems.

Alignment hierarchies: engineering architecture from the nanometre to the micrometre scale.

PubMed

Kureshi, Alvena; Cheema, Umber; Alekseeva, Tijna; Cambrey, Alison; Brown, Robert

2010-12-06

Natural tissues are built of metabolites, soluble proteins and solid extracellular matrix components (largely fibrils) together with cells. These are configured in highly organized hierarchies of structure across length scales from nanometre to millimetre, with alignments that are dominated by anisotropies in their fibrillar matrix. If we are to successfully engineer tissues, these hierarchies need to be mimicked with an understanding of the interaction between them. In particular, the movement of different elements of the tissue (e.g. molecules, cells and bulk fluids) is controlled by matrix structures at distinct scales. We present three novel systems to introduce alignment of collagen fibrils, cells and growth factor gradients within a three-dimensional collagen scaffold using fluid flow, embossing and layering of construct. Importantly, these can be seen as different parts of the same hierarchy of three-dimensional structure, as they are all formed into dense collagen gels. Fluid flow aligns collagen fibrils at the nanoscale, embossed topographical features provide alignment cues at the microscale and introducing layered configuration to three-dimensional collagen scaffolds provides microscale- and mesoscale-aligned pathways for protein factor delivery as well as barriers to confine protein diffusion to specific spatial directions. These seemingly separate methods can be employed to increase complexity of simple extracellular matrix scaffolds, providing insight into new approaches to directly fabricate complex physical and chemical cues at different hierarchical scales, similar to those in natural tissues.

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.

Fast and Accurate Simulation Technique for Large Irregular Arrays

NASA Astrophysics Data System (ADS)

Bui-Van, Ha; Abraham, Jens; Arts, Michel; Gueuning, Quentin; Raucy, Christopher; Gonzalez-Ovejero, David; de Lera Acedo, Eloy; Craeye, Christophe

2018-04-01

A fast full-wave simulation technique is presented for the analysis of large irregular planar arrays of identical 3-D metallic antennas. The solution method relies on the Macro Basis Functions (MBF) approach and an interpolatory technique to compute the interactions between MBFs. The Harmonic-polynomial (HARP) model is established for the near-field interactions in a modified system of coordinates. For extremely large arrays made of complex antennas, two approaches assuming a limited radius of influence for mutual coupling are considered: one is based on a sparse-matrix LU decomposition and the other one on a tessellation of the array in the form of overlapping sub-arrays. The computation of all embedded element patterns is sped up with the help of the non-uniform FFT algorithm. Extensive validations are shown for arrays of log-periodic antennas envisaged for the low-frequency SKA (Square Kilometer Array) radio-telescope. The analysis of SKA stations with such a large number of elements has not been treated yet in the literature. Validations include comparison with results obtained with commercial software and with experiments. The proposed method is particularly well suited to array synthesis, in which several orders of magnitude can be saved in terms of computation time.

Application of symbolic/numeric matrix solution techniques to the NASTRAN program

NASA Technical Reports Server (NTRS)

Buturla, E. M.; Burroughs, S. H.

1977-01-01

The matrix solving algorithm of any finite element algorithm is extremely important since solution of the matrix equations requires a large amount of elapse time due to null calculations and excessive input/output operations. An alternate method of solving the matrix equations is presented. A symbolic processing step followed by numeric solution yields the solution very rapidly and is especially useful for nonlinear problems.

Polarimetric signatures of a canopy of dielectric cylinders based on first and second order vector radiative transfer theory

NASA Technical Reports Server (NTRS)

Tsang, Leung; Chan, Chi Hou; Kong, Jin AU; Joseph, James

1992-01-01

Complete polarimetric signatures of a canopy of dielectric cylinders overlying a homogeneous half space are studied with the first and second order solutions of the vector radiative transfer theory. The vector radiative transfer equations contain a general nondiagonal extinction matrix and a phase matrix. The energy conservation issue is addressed by calculating the elements of the extinction matrix and the elements of the phase matrix in a manner that is consistent with energy conservation. Two methods are used. In the first method, the surface fields and the internal fields of the dielectric cylinder are calculated by using the fields of an infinite cylinder. The phase matrix is calculated and the extinction matrix is calculated by summing the absorption and scattering to ensure energy conservation. In the second method, the method of moments is used to calculate the elements of the extinction and phase matrices. The Mueller matrix based on the first order and second order multiple scattering solutions of the vector radiative transfer equation are calculated. Results from the two methods are compared. The vector radiative transfer equations, combined with the solution based on method of moments, obey both energy conservation and reciprocity. The polarimetric signatures, copolarized and depolarized return, degree of polarization, and phase differences are studied as a function of the orientation, sizes, and dielectric properties of the cylinders. It is shown that second order scattering is generally important for vegetation canopy at C band and can be important at L band for some cases.

The matrix effect in secondary ion mass spectrometry

NASA Astrophysics Data System (ADS)

Seah, M. P.; Shard, A. G.

2018-05-01

Matrix effects in the secondary ion mass spectrometry (SIMS) of selected elemental systems have been analyzed to investigate the applicability of a mathematical description of the matrix effect, called here the charge transfer (CT) model. This model was originally derived for proton exchange and organic positive secondary ions, to characterise the enhancement or suppression of intensities in organic binary systems. In the systems considered in this paper protons are specifically excluded, which enables an assessment of whether the model applies for electrons as well. The present importance is in organic systems but, here we analyse simpler inorganic systems. Matrix effects in elemental systems cannot involve proton transfer if there are no protons present but may be caused by electron transfer and so electron transfer may also be involved in the matrix effects for organic systems. There are general similarities in both the magnitudes of the ion intensities as well as the matrix effects for both positive and negative secondary ions in both systems and so the CT model may be more widely applicable. Published SIMS analyses of binary elemental mixtures are analyzed. The data of Kim et al., for the Pt/Co system, provide, with good precision, data for such a system. This gives evidence for the applicability of the CT model, where electron, rather than proton, transfer is the matrix enhancing and suppressing mechanism. The published data of Prudon et al., for the important Si/Ge system, provides further evidence for the effects for both positive and negative secondary ions and allows rudimentary rules to be developed for the enhancing and suppressing species.

Classification of matrix-product ground states corresponding to one-dimensional chains of two-state sites of nearest neighbor interactions

NASA Astrophysics Data System (ADS)

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

2011-04-01

A complete classification is given for one-dimensional chains with nearest-neighbor interactions having two states in each site, for which a matrix product ground state exists. The Hamiltonians and their corresponding matrix product ground states are explicitly obtained.

Precopulatory behavior and sexual conflict in the desert locust

PubMed Central

Golov, Yiftach; Rillich, Jan; Harari, Ally

2018-01-01

Studies of mating and reproductive behavior have contributed much to our understanding of various animals’ ecological success. The desert locust, Schistocerca gregaria, is an important agricultural pest. However, knowledge of locust courtship and precopulatory behavior is surprisingly limited. Here we provide a comprehensive study of the precopulatory behavior of both sexes of the desert locust in the gregarious phase, with particular emphasis on the conflict between the sexes. Detailed HD-video monitoring of courtship and mating of 20 locust pairs, in a controlled environment, enabled both qualitative and quantitative descriptions of the behavior. A comprehensive list of behavioral elements was used to generate an eight-step ethogram, from first encounter between the sexes to actual copulation. Further analyses included the probability of each element occurring, and a kinematic diagram based on a transitional matrix. Eleven novel behavioral elements are described in this study, and two potential points of conflict between the sexes are identified. Locust sexual interaction was characterized by the dominance of the males during the pre-mounting stage, and an overall stereotypic male courtship behavior. In contrast, females displayed no clear courtship-related behavior and an overall less organized behavioral sequence. Central elements in the sexual behavior of the females were low-amplitude hind-leg vibration, as well as rejecting males by jumping and kicking. Intricate reciprocal interactions between the sexes were evident mostly at the mounting stage. The reported findings contribute important insights to our knowledge of locust mating and reproductive behavior, and may assist in confronting this devastating agricultural pest. PMID:29507823

Comment on linewidths and shifts in the Stokes-Raman Q branch of D2 in He

NASA Technical Reports Server (NTRS)

Green, Sheldon; Blackmore, Robert; Monchick, Louis

1989-01-01

Collision-induced widths and shifts for Raman Q-branch transitions of D2 in He were calculated from S matrices obtained with converged close coupling scattering calculations on an accurate theoretical interaction potential. Results agree well with experimental values. Discrepancies between experimental line shifts and theoretical values from an earlier study (Blackmore et al., 1988) are traced to a computational error in that work. The effects of vibrational inelasticity and of centrifugal distortion on energy levels and on potential matrix elements, all of which were ignored in the earlier study, are explicitly considered here and found to be small.

Light-matter interaction in doped microcavities

NASA Astrophysics Data System (ADS)

Averkiev, N. S.; Glazov, M. M.

2007-07-01

We discuss theoretically the light-matter coupling in a microcavity containing a quantum well with a two-dimensional electron gas. The high density limit where the bound exciton states are absent is considered. The matrix element of an interband optical absorption demonstrates the Mahan singularity [Phys. Rev. B153, 882 (1967); 163, 612 (1967)] due to strong Coulomb effect between the electrons and a photocreated hole. We extend the nonlocal dielectric response theory to calculate the quantum well reflection and transmission coefficients as well as the microcavity transmission spectra. The new eigenmodes of the system are discussed. Their implications for the steady state and time-resolved spectroscopy experiments are analyzed.

Physico-chemical study of some areas of fundamental significance to biophysics. Annual report, 1975--1976. [Chemistry Dept. , Louisiana State University, Baton Rouge

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

McGlynn, S.P.

1976-05-15

Lists of titles published, symposia attended, laboratory guests, departing personnel, and equipment purchased are presented in the first part of this report. It is to be emphasized that completed work already published is mentioned only by title. Reports are provided for research recently completed or in progress in the following areas: Rydberg spectroscopy, intermediate-coupling model for linear molecules, atomic correlation lines, electronic structure of dicarbonyl compounds, absorption and emission characteristics of highly polar aromatics, valence-bond description of metal--anion interaction, and matrix elements of mono-excited Slater determinants constructed from axial spin-orbitals. (RWR)

Single inclusive jet production and the nuclear modification ratio at very forward rapidity in proton-lead collisions with √{sNN } = 5.02 TeV

NASA Astrophysics Data System (ADS)

Bury, Marcin; Van Haevermaet, Hans; Van Hameren, Andreas; Van Mechelen, Pierre; Kutak, Krzysztof; Serino, Mirko

2018-05-01

We present calculations of single inclusive jet transverse momentum and energy spectra at forward rapidity (5.2 < y < 6.6) in proton-lead collisions with √{sNN } = 5.02 TeV. The predictions are obtained with the KaTie Monte Carlo event generator, which allows to calculate interactions within the High Energy Factorisation framework. The tree-level matrix element results are subsequently interfaced with the CASCADE Monte Carlo event generator to account for hadronisation. The effects of the saturation of the gluon density, leading to suppression of the cross section, are investigated.

Biosorption of metal elements by exopolymer nanofibrils excreted from Leptothrix cells.

PubMed

Kunoh, Tatsuki; Nakanishi, Makoto; Kusano, Yoshihiro; Itadani, Atsushi; Ando, Kota; Matsumoto, Syuji; Tamura, Katsunori; Kunoh, Hitoshi; Takada, Jun

2017-10-01

Leptothrix species, aquatic Fe-oxidizing bacteria, excrete nano-scaled exopolymer fibrils. Once excreted, the fibrils weave together and coalesce to form extracellular, microtubular, immature sheaths encasing catenulate cells of Leptothrix. The immature sheaths, composed of aggregated nanofibrils with a homogeneous-looking matrix, attract and bind aqueous-phase inorganics, especially Fe, P, and Si, to form seemingly solid, mature sheaths of a hybrid organic-inorganic nature. To verify our assumption that the organic skeleton of the sheaths might sorb a broad range of other metallic and nonmetallic elements, we examined the sorption potential of chemically and enzymatically prepared protein-free organic sheath remnants for 47 available elements. The sheath remnants were found by XRF to sorb each of the 47 elements, although their sorption degree varied among the elements: >35% atomic percentages for Ti, Y, Zr, Ru, Rh, Ag, and Au. Electron microscopy, energy dispersive x-ray spectroscopy, electron and x-ray diffractions, and Fourier transform infrared spectroscopy analyses of sheath remnants that had sorbed Ag, Cu, and Pt revealed that (i) the sheath remnants comprised a 5-10 nm thick aggregation of fibrils, (ii) the test elements were distributed almost homogeneously throughout the fibrillar aggregate, (iii) the nanofibril matrix sorbing the elements was nearly amorphous, and (iv) these elements plausibly were bound to the matrix by ionic binding, especially via OH. The present results show that the constitutive protein-free exopolymer nanofibrils of the sheaths can contribute to creating novel filtering materials for recovering and recycling useful and/or hazardous elements from the environment. Copyright © 2017. Published by Elsevier Ltd.

Influence of the Coulomb interaction on the exchange coupling in granular magnets.

PubMed

Udalov, O G; Beloborodov, I S

2017-04-20

We develop a theory of the exchange interaction between ferromagnetic (FM) metallic grains embedded into insulating matrix by taking into account the Coulomb blockade effects. For bulk ferromagnets separated by the insulating layer the exchange interaction strongly depends on the height and thickness of the tunneling barrier created by the insulator. We show that for FM grains embedded into insulating matrix the exchange coupling additionally depends on the dielectric properties of this matrix due to the Coulomb blockade effects. In particular, the FM coupling decreases with decreasing the dielectric permittivity of insulating matrix. We find that the change in the exchange interaction due to the Coulomb blockade effects can be a few tens of percent. Also, we study dependence of the intergrain exchange interaction on the grain size and other parameters of the system.

Electric dipole moment function of the X1 Sigma/+/ state of CO - Vibration-rotation matrix elements for transitions of gas laser and astrophysical interest

NASA Technical Reports Server (NTRS)

Chackerian, C., Jr.

1976-01-01

The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.

Constraints on scattering amplitudes in multistate Landau-Zener theory

NASA Astrophysics Data System (ADS)

Sinitsyn, Nikolai A.; Lin, Jeffmin; Chernyak, Vladimir Y.

2017-01-01

We derive a set of constraints, which we will call hierarchy constraints, on scattering amplitudes of an arbitrary multistate Landau-Zener model (MLZM). The presence of additional symmetries can transform such constraints into nontrivial relations between elements of the transition probability matrix. This observation can be used to derive complete solutions of some MLZMs or, for models that cannot be solved completely, to reduce the number of independent elements of the transition probability matrix.

Measurement of the matrix elements for the decays η'→η π+π- and η'→η π0π0

NASA Astrophysics Data System (ADS)

Ablikim, M.; Achasov, M. N.; Ahmed, S.; Albrecht, M.; Amoroso, A.; An, F. F.; An, Q.; Bai, J. Z.; Bai, Y.; Bakina, O.; Baldini Ferroli, R.; Ban, Y.; Bennett, D. W.; Bennett, J. V.; Berger, N.; Bertani, M.; Bettoni, D.; Bian, J. M.; Bianchi, F.; Boger, E.; Boyko, I.; Briere, R. A.; Cai, H.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chai, J.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, X. R.; Chen, Y. B.; Chu, X. K.; Cibinetto, G.; Dai, H. L.; Dai, J. P.; Dbeyssi, A.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; de Mori, F.; Ding, Y.; Dong, C.; Dong, J.; Dong, L. Y.; Dong, M. Y.; Dorjkhaidav, O.; Dou, Z. L.; Du, S. X.; Duan, P. F.; Fang, J.; Fang, S. S.; Fang, X.; Fang, Y.; Farinelli, R.; Fava, L.; Fegan, S.; Feldbauer, F.; Felici, G.; Feng, C. Q.; Fioravanti, E.; Fritsch, M.; Fu, C. D.; Gao, Q.; Gao, X. L.; Gao, Y.; Gao, Y. G.; Gao, Z.; Garzia, I.; Goetzen, K.; Gong, L.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, S.; Gu, Y. T.; Guo, A. Q.; Guo, L. B.; Guo, R. P.; Guo, Y. P.; Haddadi, Z.; Han, S.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, X. Q.; Heinsius, F. H.; Held, T.; Heng, Y. K.; Holtmann, T.; Hou, Z. L.; Hu, C.; Hu, H. M.; Hu, T.; Hu, Y.; Huang, G. S.; Huang, J. S.; Huang, X. T.; Huang, X. Z.; Huang, Z. L.; Hussain, T.; Ikegami Andersson, W.; Ji, Q.; Ji, Q. P.; Ji, X. B.; Ji, X. L.; Jiang, X. S.; Jiang, X. Y.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jin, Y.; Johansson, T.; Julin, A.; Kalantar-Nayestanaki, N.; Kang, X. L.; Kang, X. S.; Kavatsyuk, M.; Ke, B. C.; Khan, T.; Khoukaz, A.; Kiese, P.; Kliemt, R.; Koch, L.; Kolcu, O. B.; Kopf, B.; Kornicer, M.; Kuemmel, M.; Kuhlmann, M.; Kupsc, A.; Kühn, W.; Lange, J. S.; Lara, M.; Larin, P.; Lavezzi, L.; Leithoff, H.; Leng, C.; Li, C.; Li, Cheng; Li, D. M.; Li, F.; Li, F. Y.; Li, G.; Li, H. B.; Li, H. J.; Li, J. C.; Li, Jin; Li, K.; Li, K.; Li, K. J.; Li, Lei; Li, P. L.; Li, P. R.; Li, Q. Y.; Li, T.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Lin, D. X.; Liu, B.; Liu, B. J.; Liu, C. X.; Liu, D.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H. B.; Liu, H. H.; Liu, H. H.; Liu, H. M.; Liu, J. B.; Liu, J. P.; Liu, J. Y.; Liu, K.; Liu, K. Y.; Liu, Ke; Liu, L. D.; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqing; Long, Y. F.; Lou, X. C.; Lu, H. J.; Lu, J. G.; Lu, Y.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, X. L.; Lyu, X. R.; Ma, F. C.; Ma, H. L.; Ma, L. L.; Ma, M. M.; Ma, Q. M.; Ma, T.; Ma, X. N.; Ma, X. Y.; Ma, Y. M.; Maas, F. E.; Maggiora, M.; Magnoni, A. S.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Marcello, S.; Meng, Z. X.; Messchendorp, J. G.; Mezzadri, G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Mo, Y. J.; Morales Morales, C.; Morello, G.; Muchnoi, N. Yu.; Muramatsu, H.; Mustafa, A.; Nefedov, Y.; Nerling, F.; Nikolaev, I. B.; Ning, Z.; Nisar, S.; Niu, S. L.; Niu, X. Y.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pan, Y.; Papenbrock, M.; Patteri, P.; Pelizaeus, M.; Pellegrino, J.; Peng, H. P.; Peters, K.; Pettersson, J.; Ping, J. L.; Ping, R. G.; Poling, R.; Prasad, V.; Qi, H. R.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, N.; Qin, X.; Qin, X. S.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Redmer, C. F.; Richter, M.; Ripka, M.; Rolo, M.; Rong, G.; Rosner, Ch.; Ruan, X. D.; Sarantsev, A.; Savrié, M.; Schnier, C.; Schoenning, K.; Shan, W.; Shao, M.; Shen, C. P.; Shen, P. X.; Shen, X. Y.; Sheng, H. Y.; Song, J. J.; Song, W. M.; Song, X. Y.; Sosio, S.; Sowa, C.; Spataro, S.; Sun, G. X.; Sun, J. F.; Sun, L.; Sun, S. S.; Sun, X. H.; Sun, Y. J.; Sun, Y. K.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, G. Y.; Tang, X.; Tapan, I.; Tiemens, M.; Tsednee, B. T.; Uman, I.; Varner, G. S.; Wang, B.; Wang, B. L.; Wang, D.; Wang, D. Y.; Wang, Dan; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, W. P.; Wang, X. F.; Wang, Y.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. H.; Wang, Z. Y.; Wang, Z. Y.; Weber, T.; Wei, D. H.; Wei, J. H.; Weidenkaff, P.; Wen, S. P.; Wiedner, U.; Wolke, M.; Wu, L. H.; Wu, L. J.; Wu, Z.; Xia, L.; Xia, Y.; Xiao, D.; Xiao, H.; Xiao, Y. J.; Xiao, Z. J.; Xie, Y. G.; Xie, Y. H.; Xiong, X. A.; Xiu, Q. L.; Xu, G. F.; Xu, J. J.; Xu, L.; Xu, Q. J.; Xu, Q. N.; Xu, X. P.; Yan, L.; Yan, W. B.; Yan, W. C.; Yan, Y. H.; Yang, H. J.; Yang, H. X.; Yang, L.; Yang, Y. H.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yin, J. H.; You, Z. Y.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yuan, C. Z.; Yuan, Y.; Yuncu, A.; Zafar, A. A.; Zeng, Y.; Zeng, Z.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. L.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, K.; Zhang, L.; Zhang, S. Q.; Zhang, X. Y.; Zhang, Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. T.; Zhang, Yu; Zhang, Z. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, J. W.; Zhao, J. Y.; Zhao, J. Z.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, W. J.; Zheng, Y. H.; Zhong, B.; Zhou, L.; Zhou, X.; Zhou, X. K.; Zhou, X. R.; Zhou, X. Y.; Zhou, Y. X.; Zhu, J.; Zhu, K.; Zhu, K. J.; Zhu, S.; Zhu, S. H.; Zhu, X. L.; Zhu, Y. C.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Besiii Collaboration

2018-01-01

Based on a sample of 1.31 ×109 J /ψ events collected with the BESIII detector, the matrix elements for the decays η'→η π+π- and η'→η π0π0 are determined using 351,016 η'→(η →γ γ )π+π- and 56,249 η'→(η →γ γ )π0π0 events with background levels less than 1%. Two commonly used representations are used to describe the Dalitz plot density. We find that an assumption of a linear amplitude does not describe the data well. A small deviation of the obtained matrix elements between η'→η π+π- and η'→η π0π0 is probably caused by the mass difference between charged and neutral pions or radiative corrections. No cusp structure in η'→η π0π0 is observed.

Current matrix element in HAL QCD's wavefunction-equivalent potential method

NASA Astrophysics Data System (ADS)

Watanabe, Kai; Ishii, Noriyoshi

2018-04-01

We give a formula to calculate a matrix element of a conserved current in the effective quantum mechanics defined by the wavefunction-equivalent potentials proposed by the HAL QCD collaboration. As a first step, a non-relativistic field theory with two-channel coupling is considered as the original theory, with which a wavefunction-equivalent HAL QCD potential is obtained in a closed analytic form. The external field method is used to derive the formula by demanding that the result should agree with the original theory. With this formula, the matrix element is obtained by sandwiching the effective current operator between the left and right eigenfunctions of the effective Hamiltonian associated with the HAL QCD potential. In addition to the naive one-body current, the effective current operator contains an additional two-body term emerging from the degrees of freedom which has been integrated out.

Inert matrix fuel in dispersion type fuel elements

NASA Astrophysics Data System (ADS)

Savchenko, A. M.; Vatulin, A. V.; Morozov, A. V.; Sirotin, V. L.; Dobrikova, I. V.; Kulakov, G. V.; Ershov, S. A.; Kostomarov, V. P.; Stelyuk, Y. I.

2006-06-01

The advantages of using inert matrix fuel (IMF) as a dispersion fuel in an aluminium alloy matrix are considered, in particular, low temperatures in the fuel centre, achievable high burn-ups, serviceability in transients and an environmentally friendly process of fuel rod fabrication. Two main versions of IMF are under development at A.A. Bochvar Institute, i.e. heterogeneous or isolated distribution of plutonium. The out-of-pile results on IMF loaded with uranium dioxide as plutonium simulator are presented. Fuel elements with uranium dioxide composition fabricated at A.A. Bochvar Institute are currently under MIR tests (RIAR, Dimitrovgrad). The fuel elements reached a burn-up of 88 MW d kg-1 (equivalent to the burn up of the standard uranium dioxide pelletized fuel) without loss of leak-tightness of the cladding. The feasibility of fabricating IMF of these particular types with plutonium dioxide is considered with a view to in-pile irradiation.

A User''s Guide to the Zwikker-Kosten Transmission Line Code (ZKTL)

NASA Technical Reports Server (NTRS)

Kelly, J. J.; Abu-Khajeel, H.

1997-01-01

This user's guide documents updates to the Zwikker-Kosten Transmission Line Code (ZKTL). This code was developed for analyzing new liner concepts developed to provide increased sound absorption. Contiguous arrays of multi-degree-of-freedom (MDOF) liner elements serve as the model for these liner configurations, and Zwikker and Kosten's theory of sound propagation in channels is used to predict the surface impedance. Transmission matrices for the various liner elements incorporate both analytical and semi-empirical methods. This allows standard matrix techniques to be employed in the code to systematically calculate the composite impedance due to the individual liner elements. The ZKTL code consists of four independent subroutines: 1. Single channel impedance calculation - linear version (SCIC) 2. Single channel impedance calculation - nonlinear version (SCICNL) 3. Multi-channel, multi-segment, multi-layer impedance calculation - linear version (MCMSML) 4. Multi-channel, multi-segment, multi-layer impedance calculation - nonlinear version (MCMSMLNL) Detailed examples, comments, and explanations for each liner impedance computation module are included. Also contained in the guide are depictions of the interactive execution, input files and output files.

Electrostatic, elastic and hydration-dependent interactions in dermis influencing volume exclusion and macromolecular transport.

PubMed

Øien, Alf H; Wiig, Helge

2016-07-07

Interstitial exclusion refers to the limitation of space available for plasma proteins and other macromolecules based on collagen and negatively charged glycosaminoglycans (GAGs) in the interstitial space. It is of particular importance to interstitial fluid and plasma volume regulation. Here we present a novel mechanical and mathematical model of the dynamic interactions of structural elements within the interstitium of the dermis at the microscopic level that may explain volume exclusion of charged and neutral macroparticles. At this level, the interstitium is considered to consist of elements called extracellular matrix (ECM) cells, again containing two main interacting structural components on a fluid background including anions and cations setting up osmotic forces: one smaller GAG component, having an intrinsic expansive electric force, and one bigger collagen component, having an intrinsic elastic force. Because of size differences, the GAG component interacts with a fraction of the collagen component only at normal hydration. This fraction, however, increases with rising hydration as a consequence of the modeled form of the interaction force between the GAGs and collagen. Collagen is locally displaced at variable degrees as hydration changes. Two models of GAGs are considered, having largely different geometries which demands different, but related, forms of GAG-collagen interaction forces. The effects of variable fixed charges on GAGs and of GAG density in tissue are evaluated taking into account observed volume exclusion properties of charged macromolecules as a function of tissue hydration. The presented models may improve our biophysical understanding of acting forces influencing tissue fluid dynamics. Such knowledge is significant when evaluating the transport of electrically charged and neutral macromolecules into and through the interstitium, and therefore to drug uptake and the therapeutic effects of macromolecular agents. Copyright © 2016 Elsevier Ltd. All rights reserved.

Influence of polyols on the formation of nanocrystalline nickel ferrite inside silica matrices

NASA Astrophysics Data System (ADS)

Stoia, Marcela; Barvinschi, Paul; Barbu-Tudoran, Lucian; Bunoiu, Mădălin

2017-01-01

We have synthesized nickel ferrite/silica nanocomposites, using a modified sol-gel method that combines the sol-gel processing with the thermal decomposition of metal-organic precursors, leading to a homogenous dispersion of ferrite nanoparticles within the silica matrix and a narrow size distribution. We used as starting materials tetraethyl orthosilicate (TEOS) as source of silica, Fe(III) and Ni(II) nitrates as sources of metal cations, and polyols as reducing agent (polyvinyl alcohol, 1,4-butanediol and their mixture). TG/DTA coupled technique evidenced the redox interaction between the polyol and the mixture of metal nitrates during the heating of the gel, with formation of nickel ferrite precursors in the pores of the silica-gels. FT-IR spectroscopy confirmed the formation of metal carboxylates inside the silica-gels and the interaction of the polyols with the Si-OH groups of the polysiloxane network. X-ray diffractometry evidenced that in case of nanocomposites obtained by using a single polyol, nickel ferrite forms as single crystalline phase inside the amorphous silica matrix, while in case of using a mixture of polyols the nickel oxide appears as a secondary phase. TEM microscopy and elemental mapping evidenced the fine nature of the obtained nickel ferrite nanoparticles that are homogenously dispersed within the silica matrix. The obtained nanocomposites exhibit magnetic behavior very close to superparamagnetism slightly depending on the presence and nature of the organic compounds used in synthesis; the magnetization reached at 5 kOe magnetic field was 7 emu/g for all composites.

A new single-particle basis for nuclear many-body calculations

NASA Astrophysics Data System (ADS)

Puddu, G.

2017-10-01

Predominantly, harmonic oscillator single-particle wave functions are the preferred choice for a basis in ab initio nuclear many-body calculations. These wave-functions, although very convenient in order to evaluate the matrix elements of the interaction in the laboratory frame, have too fast a fall-off at large distances. In the past, as an alternative to the harmonic oscillator, other single-particle wave functions have been proposed. In this work, we propose a new single-particle basis, directly linked to nucleon-nucleon interaction. This new basis is orthonormal and complete, has the proper asymptotic behavior at large distances and does not contain the continuum which would pose severe convergence problems in nuclear many body calculations. We consider the newly proposed NNLO-opt nucleon-nucleon interaction, without any renormalization. We show that, unlike other bases, this single-particle representation has a computational cost similar to the harmonic oscillator basis with the same space truncation and it gives lower energies for 6He and 6Li.

Direct and indirect constraints on CP-violating Higgs-quark and Higgs-gluon interactions

DOE PAGES

Chien, Y. T.; Cirigliano, V.; Dekens, W.; ...

2016-02-01

Here we investigate direct and indirect constraints on the complete set of anomalous CP-violating Higgs couplings to quarks and gluons originating from dimension-6 operators, by studying their signatures at the LHC and in electric dipole moments (EDMs). We also show that existing uncertainties in hadronic and nuclear matrix elements have a significant impact on the interpretation of EDM experiments, and we quantify the improvements needed to fully exploit the power of EDM searches. Currently, the best bounds on the anomalous CP-violating Higgs interactions come from a combination of EDM measurements and the data from LHC Run 1. We argue thatmore » Higgs production cross section and branching ratios measurements at the LHC Run 2 will not improve the constraints significantly. But, the bounds on the couplings scale roughly linearly with EDM limits, so that future theoretical and experimental EDM developments can have a major impact in pinning down interactions of the Higgs.« less

Direct and indirect constraints on CP-violating Higgs-quark and Higgs-gluon interactions

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

Chien, Y. T.; Cirigliano, V.; Dekens, W.

Here we investigate direct and indirect constraints on the complete set of anomalous CP-violating Higgs couplings to quarks and gluons originating from dimension-6 operators, by studying their signatures at the LHC and in electric dipole moments (EDMs). We also show that existing uncertainties in hadronic and nuclear matrix elements have a significant impact on the interpretation of EDM experiments, and we quantify the improvements needed to fully exploit the power of EDM searches. Currently, the best bounds on the anomalous CP-violating Higgs interactions come from a combination of EDM measurements and the data from LHC Run 1. We argue thatmore » Higgs production cross section and branching ratios measurements at the LHC Run 2 will not improve the constraints significantly. But, the bounds on the couplings scale roughly linearly with EDM limits, so that future theoretical and experimental EDM developments can have a major impact in pinning down interactions of the Higgs.« less

NUCLEAR REACTOR FUEL-BREEDER FUEL ELEMENT

DOEpatents

Currier, E.L. Jr.; Nicklas, J.H.

1962-08-14

A fuel-breeder fuel element was developed for a nuclear reactor wherein discrete particles of fissionable material are dispersed in a matrix of fertile breeder material. The fuel element combines the advantages of a dispersion type and a breeder-type. (AEC)

POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Gerdt, V. P.; Rostovtsev, V. A.; Vinitsky, S. I.; Abrashkevich, A. G.; Kaschiev, M. S.; Serov, V. V.

2008-02-01

A FORTRAN 77 program is presented which calculates with the relative machine precision potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field. The potential curves are eigenvalues corresponding to the angular oblate spheroidal functions that compose adiabatic basis which depends on the radial variable as a parameter. The matrix elements of radial coupling are integrals in angular variables of the following two types: product of angular functions and the first derivative of angular functions in parameter, and product of the first derivatives of angular functions in parameter, respectively. The program calculates also the angular part of the dipole transition matrix elements (in the length form) expressed as integrals in angular variables involving product of a dipole operator and angular functions. Moreover, the program calculates asymptotic regular and irregular matrix solutions of the coupled adiabatic radial equations at the end of interval in radial variable needed for solving a multi-channel scattering problem by the generalized R-matrix method. Potential curves and radial matrix elements computed by the POTHMF program can be used for solving the bound state and multi-channel scattering problems. As a test desk, the program is applied to the calculation of the energy values, a short-range reaction matrix and corresponding wave functions with the help of the KANTBP program. Benchmark calculations for the known photoionization cross-sections are presented. Program summaryProgram title:POTHMF Catalogue identifier:AEAA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAA_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.:8123 No. of bytes in distributed program, including test data, etc.:131 396 Distribution format:tar.gz Programming language:FORTRAN 77 Computer:Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system:OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM:Depends on the number of radial differential equations; the number and order of finite elements; the number of radial points. Test run requires 4 MB Classification:2.5 External routines:POTHMF uses some Lapack routines, copies of which are included in the distribution (see README file for details). Nature of problem:In the multi-channel adiabatic approach the Schrödinger equation for a hydrogen-like atom in a homogeneous magnetic field of strength γ ( γ=B/B, B≅2.35×10 T is a dimensionless parameter which determines the field strength B) is reduced by separating the radial coordinate, r, from the angular variables, (θ,φ), and using a basis of the angular oblate spheroidal functions [3] to a system of second-order ordinary differential equations which contain first-derivative coupling terms [4]. The purpose of this program is to calculate potential curves and matrix elements of radial coupling needed for calculating the low-lying bound and scattering states of hydrogen-like atoms in a homogeneous magnetic field of strength 0<γ⩽1000 within the adiabatic approach [5]. The program evaluates also asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem needed to extract from the R-matrix a required symmetric shortrange open-channel reaction matrix K [6] independent from matching point [7]. In addition, the program computes the dipole transition matrix elements in the length form between the basis functions that are needed for calculating the dipole transitions between the low-lying bound and scattering states and photoionization cross sections [8]. Solution method:The angular oblate spheroidal eigenvalue problem depending on the radial variable is solved using a series expansion in the Legendre polynomials [3]. The resulting tridiagonal symmetric algebraic eigenvalue problem for the evaluation of selected eigenvalues, i.e. the potential curves, is solved by the LDLT factorization using the DSTEVR program [2]. Derivatives of the eigenfunctions with respect to the radial variable which are contained in matrix elements of the coupled radial equations are obtained by solving the inhomogeneous algebraic equations. The corresponding algebraic problem is solved by using the LDLT factorization with the help of the DPTTRS program [2]. Asymptotics of the matrix elements at large values of radial variable are computed using a series expansion in the associated Laguerre polynomials [9]. The corresponding matching points between the numeric and asymptotic solutions are found automatically. These asymptotics are used for the evaluation of the asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem [7]. As a test desk, the program is applied to the calculation of the energy values of the ground and excited bound states and reaction matrix of multi-channel scattering problem for a hydrogen atom in a homogeneous magnetic field using the KANTBP program [10]. Restrictions:The computer memory requirements depend on: the number of radial differential equations; the number and order of finite elements; the total number of radial points. Restrictions due to dimension sizes can be changed by resetting a small number of PARAMETER statements before recompiling (see Introduction and listing for details). Running time:The running time depends critically upon: the number of radial differential equations; the number and order of finite elements; the total number of radial points on interval [r,r]. The test run which accompanies this paper took 7 s required for calculating of potential curves, radial matrix elements, and dipole transition matrix elements on a finite-element grid on interval [ r=0, r=100] used for solving discrete and continuous spectrum problems and obtaining asymptotic regular and irregular matrix radial solutions at r=100 for continuous spectrum problem on the Intel Pentium IV 2.4 GHz. The number of radial differential equations was equal to 6. The accompanying test run using the KANTBP program took 2 s for solving discrete and continuous spectrum problems using the above calculated potential curves, matrix elements and asymptotic regular and irregular matrix radial solutions. Note, that in the accompanied benchmark calculations of the photoionization cross-sections from the bound states of a hydrogen atom in a homogeneous magnetic field to continuum we have used interval [ r=0, r=1000] for continuous spectrum problem. The total number of radial differential equations was varied from 10 to 18. References:W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. http://www.netlib.org/lapack/. M. Abramovits, I.A. Stegun, Handbook of Mathematical Functions, Dover, New York, 1965. U. Fano, Colloq. Int. C.N.R.S. 273 (1977) 127; A.F. Starace, G.L. Webster, Phys. Rev. A 19 (1979) 1629-1640; C.V. Clark, K.T. Lu, A.F. Starace, in: H.G. Beyer, H. Kleinpoppen (Eds.), Progress in Atomic Spectroscopy, Part C, Plenum, New York, 1984, pp. 247-320; U. Fano, A.R.P. Rau, Atomic Collisions and Spectra, Academic Press, Florida, 1986. M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352; O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, V.V. Serov, T.V. Tupikova, S.I. Vinitsky, Proc. SPIE 6537 (2007) 653706-1-18. M.J. Seaton, Rep. Prog. Phys. 46 (1983) 167-257. M. Gailitis, J. Phys. B 9 (1976) 843-854; J. Macek, Phys. Rev. A 30 (1984) 1277-1278; S.I. Vinitsky, V.P. Gerdt, A.A. Gusev, M.S. Kaschiev, V.A. Rostovtsev, V.N. Samoylov, T.V. Tupikova, O. Chuluunbaatar, Programming and Computer Software 33 (2007) 105-116. H. Friedrich, Theoretical Atomic Physics, Springer, New York, 1991. R.J. Damburg, R.Kh. Propin, J. Phys. B 1 (1968) 681-691; J.D. Power, Phil. Trans. Roy. Soc. London A 274 (1973) 663-702. O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Comm. 177 (2007) 649-675.

Defining the physiologically normal coating and pathological deposit: an analysis of sulfur-containing moieties and pellicle thickness on hydrogel contact lenses.

PubMed

Hart, D E; Plociniak, M P; Grimes, G W

1998-04-01

Historically, biochemical studies of the interaction between tears and hydrogel contact lenses have not been coordinated with the study of the morphological ultrastructure of the phenomena. Moreover, terms that have distinct and different meanings--pellicle, coating, deposit, and biofilm--have been used interchangeably and often incorrectly when applied within the context of the general field of contact lens biotechnology to describe the tear-polymer interaction. We describe our elucidation of morphological and elemental characteristics of the normal pellicle that forms on the lens surface and urge standard use of the word "pellicle" to specify this entity. Fourteen worn hydrogel lenses (8 Group 1 and 6 Group 4 lenses according to the FDA classification) were rinsed, quartered, and fixed or dried, depending on the analysis to be performed. Scanning electron microscopy (SEM) was used to examine the morphology of the pellicle and quantify its thickness. X-ray analysis was used to detect elements associated with the anterior, central, and posterior portions of the lenses and their relative distribution. A distinctive morphological pellicle ranging from 0.1 to 8.6 microns was present on 12 of the 14 lenses. The pellicle was thicker on the Group 4 lenses than on the Group 1 lenses (P < 0.003). However, the pellicle on Group 1 lenses became thicker with increasing lens age (P < 0.02), but not as thick as on Group 4 lenses. Morphologically distinct lipid or jelly bump deposits were observed at the surface of both lenses from a single patient wearing 2 week old Group 4 lenses. Eleven lenses had sulfur-bearing tear components on the anterior zone. Sulfur was deposited within the matrix of nine lenses. The sulfur containing moieties were more prevalent on Group 4 lenses (P < 0.002). More sulfur was assayed on older lenses (P < 0.004). The anterior lens zone had more sulfur-bearing tear components than did the posterior or center zones (P < 0.05). The physiologically normal pellicle is a distinct morphological entity covering the anterior lens surface. Abnormal deposits such as the discrete microgel region, known as jelly bumps, are not part of the physiologically normal pellicle at the anterior lens surface and have the potential to induce pathology. Sulfur-containing moieties within the matrix may represent the breakdown of large proteins and mucoproteins or intact proteins, as well as contaminants such as cosmetics and environmental pollutants. It is also possible that entire small proteins, such as lysozyme, impregnate the matrix. The moieties that become entrapped within the matrix or rigidly adhere to the matrix should be considered true deposits.

Solution algorithms for nonlinear transient heat conduction analysis employing element-by-element iterative strategies

NASA Technical Reports Server (NTRS)

Winget, J. M.; Hughes, T. J. R.

1985-01-01

The particular problems investigated in the present study arise from nonlinear transient heat conduction. One of two types of nonlinearities considered is related to a material temperature dependence which is frequently needed to accurately model behavior over the range of temperature of engineering interest. The second nonlinearity is introduced by radiation boundary conditions. The finite element equations arising from the solution of nonlinear transient heat conduction problems are formulated. The finite element matrix equations are temporally discretized, and a nonlinear iterative solution algorithm is proposed. Algorithms for solving the linear problem are discussed, taking into account the form of the matrix equations, Gaussian elimination, cost, and iterative techniques. Attention is also given to approximate factorization, implementational aspects, and numerical results.

Complete set of essential parameters of an effective theory

NASA Astrophysics Data System (ADS)

Ioffe, M. V.; Vereshagin, V. V.

2018-04-01

The present paper continues the series [V. V. Vereshagin, True self-energy function and reducibility in effective scalar theories, Phys. Rev. D 89, 125022 (2014); , 10.1103/PhysRevD.89.125022A. Vereshagin and V. Vereshagin, Resultant parameters of effective theory, Phys. Rev. D 69, 025002 (2004); , 10.1103/PhysRevD.69.025002K. Semenov-Tian-Shansky, A. Vereshagin, and V. Vereshagin, S-matrix renormalization in effective theories, Phys. Rev. D 73, 025020 (2006), 10.1103/PhysRevD.73.025020] devoted to the systematic study of effective scattering theories. We consider matrix elements of the effective Lagrangian monomials (in the interaction picture) of arbitrary high dimension D and show that the full set of corresponding coupling constants contains parameters of both kinds: essential and redundant. Since it would be pointless to formulate renormalization prescriptions for redundant parameters, it is necessary to select the full set of the essential ones. This is done in the present paper for the case of the single scalar field.

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra

NASA Astrophysics Data System (ADS)

Sibaev, Marat; Crittenden, Deborah L.

2016-06-01

The PyVCI program package is a general purpose open-source code for simulating accurate molecular spectra, based upon force field expansions of the potential energy surface in normal mode coordinates. It includes harmonic normal coordinate analysis and vibrational configuration interaction (VCI) algorithms, implemented primarily in Python for accessibility but with time-consuming routines written in C. Coriolis coupling terms may be optionally included in the vibrational Hamiltonian. Non-negligible VCI matrix elements are stored in sparse matrix format to alleviate the diagonalization problem. CPU and memory requirements may be further controlled by algorithmic choices and/or numerical screening procedures, and recommended values are established by benchmarking using a test set of 44 molecules for which accurate analytical potential energy surfaces are available. Force fields in normal mode coordinates are obtained from the PyPES library of high quality analytical potential energy surfaces (to 6th order) or by numerical differentiation of analytic second derivatives generated using the GAMESS quantum chemical program package (to 4th order).

Real-Time Investigation of Solidification of Metal Matrix Composites

NASA Technical Reports Server (NTRS)

Kaukler, William; Sen, Subhayu

1999-01-01

Casting of metal matrix composites can develop imperfections either as non- uniform distributions of the reinforcement phases or as outright defects such as porosity. The solidification process itself initiates these problems. To identify or rectify the problems, one must be able to detect and to study how they form. Until, recently this was only possible by experiments that employed transparent metal model organic materials with glass beads to simulate the reinforcing phases. Recent results obtained from a Space Shuttle experiment (using transparent materials) will be used to illustrate the fundamental physics that dictates the final distribution of agglomerates in a casting. We have further extended this real time investigation to aluminum alloys using X-ray microscopy. A variety of interface-particle interactions will be discussed and how they alter the final properties of the composite. A demonstration of how a solid-liquid interface is distorted by nearby voids or particles, particle pushing or engulfment by the interface, formations of wormholes, Aggregation of particles, and particle-induced segregation of alloying elements will be presented.

2.4 Å resolution crystal structure of human TRAP1NM, the Hsp90 paralog in the mitochondrial matrix.

PubMed

Sung, Nuri; Lee, Jungsoon; Kim, Ji Hyun; Chang, Changsoo; Tsai, Francis T F; Lee, Sukyeong

2016-08-01

TRAP1 is an organelle-specific Hsp90 paralog that is essential for neoplastic growth. As a member of the Hsp90 family, TRAP1 is presumed to be a general chaperone facilitating the late-stage folding of Hsp90 client proteins in the mitochondrial matrix. Interestingly, TRAP1 cannot replace cytosolic Hsp90 in protein folding, and none of the known Hsp90 co-chaperones are found in mitochondria. Thus, the three-dimensional structure of TRAP1 must feature regulatory elements that are essential to the ATPase activity and chaperone function of TRAP1. Here, the crystal structure of a human TRAP1NM dimer is presented, featuring an intact N-domain and M-domain structure, bound to adenosine 5'-β,γ-imidotriphosphate (ADPNP). The crystal structure together with epitope-mapping results shows that the TRAP1 M-domain loop 1 contacts the neighboring subunit and forms a previously unobserved third dimer interface that mediates the specific interaction with mitochondrial Hsp70.

Correlating PMC-MMC Bonded Joint 3D FEA with Test

NASA Technical Reports Server (NTRS)

Jacobson, Mindy; Rodini, Benjamin; Chen, Wayne C.; Flom, Yury A.; Posey, Alan J.

2005-01-01

A viewgraph presentation on the correlation of Polymer Matrix Composites (PMC) and Metal Matrix Composites (MMC) bonded joints using three dimensional finite element analyses with materials tests is shown.

SERPINE1: A Molecular Switch in the Proliferation-Migration Dichotomy in Wound-“Activated” Keratinocytes

PubMed Central

Simone, Tessa M.; Higgins, Craig E.; Czekay, Ralf-Peter; Law, Brian K.; Higgins, Stephen P.; Archambeault, Jaclyn; Kutz, Stacie M.; Higgins, Paul J.

2014-01-01

Significance: A highly interactive serine protease/plasmin/matrix metalloproteinase axis regulates stromal remodeling in the wound microenvironment. Current findings highlight the importance of stringent controls on protease expression and their topographic activities in cell proliferation, migration, and tissue homeostasis. Targeting elements in this cascading network may lead to novel therapeutic approaches for fibrotic diseases and chronic wounds. Recent Advances: Matrix-active proteases and their inhibitors orchestrate wound site tissue remodeling, cell migration, and proliferation. Indeed, the serine proteases urokinase plasminogen activator and tissue-type plasminogen activator (uPA/tPA) and their major phsyiological inhibitor, plasminogen activator inhibitor-1 (PAI-1; serine protease inhibitor clade E member 1 [SERPINE1]), are upregulated in several cell types during injury repair. Coordinate expression of proteolytic enzymes and their inhibitors in the wound bed provides a mechanism for fine control of focal proteolysis to facilitate matrix restructuring and cell motility in complex environments. Critical Issues: Cosmetic and tissue functional consequences of wound repair anomalies affect the quality of life of millions of patients in the United States alone. The development of novel therapeutics to manage individuals most affected by healing anomalies will likely derive from the identification of critical, translationally accessible, control elements in the wound site microenvironment. Future Directions: Activation of the PAI-1 gene early after wounding, its prominence in the repair transcriptome and varied functions suggest a key role in the global cutaneous injury response program. Targeting PAI-1 gene expression and/or PAI-1 function with molecular genetic constructs, neutralizing antibodies or small molecule inhibitors may provide a novel, therapeutically relevant approach, to manage the pathophysiology of wound healing disorders associated with deficient or excessive PAI-1 levels. PMID:24669362

Modeling the Elastic Modulus of 2D Woven CVI SiC Composites

NASA Technical Reports Server (NTRS)

Morscher, Gregory N.

2006-01-01

The use of fiber, interphase, CVI SiC minicomposites as structural elements for 2D-woven SiC fiber reinforced chemically vapor infiltrated (CVI) SiC matrix composites is demonstrated to be a viable approach to model the elastic modulus of these composite systems when tensile loaded in an orthogonal direction. The 0deg (loading direction) and 90deg (perpendicular to loading direction) oriented minicomposites as well as the open porosity and excess SiC associated with CVI SiC composites were all modeled as parallel elements using simple Rule of Mixtures techniques. Excellent agreement for a variety of 2D woven Hi-Nicalon(TradeMark) fiber-reinforced and Sylramic-iBN reinforced CVI SiC matrix composites that differed in numbers of plies, constituent content, thickness, density, and number of woven tows in either direction (i.e, balanced weaves versus unbalanced weaves) was achieved. It was found that elastic modulus was not only dependent on constituent content, but also the degree to which 90deg minicomposites carried load. This depended on the degree of interaction between 90deg and 0deg minicomposites which was quantified to some extent by composite density. The relationships developed here for elastic modulus only necessitated the knowledge of the fractional contents of fiber, interphase and CVI SiC as well as the tow size and shape. It was concluded that such relationships are fairly robust for orthogonally loaded 2D woven CVI SiC composite system and can be implemented by ceramic matrix composite component modelers and designers for modeling the local stiffness in simple or complex parts fabricated with variable constituent contents.

Calibration approach for extremely variable laser induced plasmas and a strategy to reduce the matrix effect in general

NASA Astrophysics Data System (ADS)

Lazic, V.; De Ninno, A.

2017-11-01

The laser induced plasma spectroscopy was applied on particles attached on substrate represented by a silica wafer covered with a thin oil film. The substrate itself weakly interacts with a ns Nd:YAG laser (1064 nm) while presence of particles strongly enhances the plasma emission, here detected by a compact spectrometer array. Variations of the sample mass from one laser spot to another exceed one order of magnitude, as estimated by on-line photography and the initial image calibration for different sample loadings. Consequently, the spectral lines from particles show extreme intensity fluctuations from one sampling point to another, between the detection threshold and the detector's saturation in some cases. In such conditions the common calibration approach based on the averaged spectra, also when considering ratios of the element lines i.e. concentrations, produces errors too large for measuring the sample compositions. On the other hand, intensities of an analytical and the reference line from single shot spectra are linearly correlated. The corresponding slope depends on the concentration ratio and it is weakly sensitive to fluctuations of the plasma temperature inside the data set. A use of the slopes for constructing the calibration graphs significantly reduces the error bars but it does not eliminate the point scattering caused by the matrix effect, which is also responsible for large differences in the average plasma temperatures among the samples. Well aligned calibration points were obtained after identifying the couples of transitions less sensitive to variations of the plasma temperature, and this was achieved by simple theoretical simulations. Such selection of the analytical lines minimizes the matrix effect, and together with the chosen calibration approach, allows to measure the relative element concentrations even in highly unstable laser induced plasmas.

Ion processing element with composite media

DOEpatents

Mann, Nick R.; Tranter, Troy J.; Todd, Terry A.; Sebesta, Ferdinand

2003-02-04

An ion processing element employing composite media disposed in a porous substrate, for facilitating removal of selected chemical species from a fluid stream. The ion processing element includes a porous fibrous glass substrate impregnated by composite media having one or more active components supported by a matrix material of polyacrylonitrile. The active components are effective in removing, by various mechanisms, one or more constituents from a fluid stream passing through the ion processing element. Due to the porosity and large surface area of both the composite medium and the substrate in which it is disposed, a high degree of contact is achieved between the active component and the fluid stream being processed. Further, the porosity of the matrix material and the substrate facilitates use of the ion processing element in high volume applications where it is desired to effectively process a high volume flows.

Ion processing element with composite media

DOEpatents

Mann, Nick R [Blackfoot, ID; Tranter, Troy J [Idaho Falls, ID; Todd, Terry A [Aberdeen, ID; Sebesta, Ferdinand [Prague, CZ

2009-03-24

An ion processing element employing composite media disposed in a porous substrate, for facilitating removal of selected chemical species from a fluid stream. The ion processing element includes a porous fibrous glass substrate impregnated by composite media having one or more active components supported by a matrix material of polyacrylonitrile. The active components are effective in removing, by various mechanisms, one or more constituents from a fluid stream passing through the ion processing element. Due to the porosity and large surface area of both the composite medium and the substrate in which it is disposed, a high degree of contact is achieved between the active component and the fluid stream being processed. Further, the porosity of the matrix material and the substrate facilitates use of the ion processing element in high volume applications where it is desired to effectively process a high volume flows.

A novel FPGA-programmable switch matrix interconnection element in quantum-dot cellular automata

NASA Astrophysics Data System (ADS)

Hashemi, Sara; Rahimi Azghadi, Mostafa; Zakerolhosseini, Ali; Navi, Keivan

2015-04-01

The Quantum-dot cellular automata (QCA) is a novel nanotechnology, promising extra low-power, extremely dense and very high-speed structure for the construction of logical circuits at a nanoscale. In this paper, initially previous works on QCA-based FPGA's routing elements are investigated, and then an efficient, symmetric and reliable QCA programmable switch matrix (PSM) interconnection element is introduced. This element has a simple structure and offers a complete routing capability. It is implemented using a bottom-up design approach that starts from a dense and high-speed 2:1 multiplexer and utilise it to build the target PSM interconnection element. In this study, simulations of the proposed circuits are carried out using QCAdesigner, a layout and simulation tool for QCA circuits. The results demonstrate high efficiency of the proposed designs in QCA-based FPGA routing.