ERIC Educational Resources Information Center
Humbel, Stephane
2007-01-01
A simple method is proposed based on energies obtained with the Huckel theory to compute the weights of the structures. The Huckel-Lewis CI technique extends to the Huckel theory the field of the resonance between Lewis structures.
ERIC Educational Resources Information Center
Sohlberg, Karl; Liu, Xiang
2013-01-01
Herein, a slightly enhanced version of extended Huckel molecular orbital theory is applied to demonstrate the spontaneous distortion of 1,3,5,7-cyclooctatetraene from a perfect octagon, a consequence of the Jahn-Teller effect. The exercise is accessible to students who have been introduced to basic quantum mechanics and extended Huckel molecular…
Computer Series, 29: Bits and Pieces, 10.
ERIC Educational Resources Information Center
Moore, John W., Ed.
1982-01-01
Describes computer programs (available from authors) including molecular input to computer, programs for quantum chemistry, library orientation to technical literature, plotting potentiometric titration data, simulating oscilloscope curves, organic qualitative analysis with dynamic graphics, extended Huckel calculations, and calculator programs…
DOE Office of Scientific and Technical Information (OSTI.GOV)
Suhendi, Endi; Syariati, Rifki; Noor, Fatimah A.
We modeled a tunneling current in a p-n junction based on armchair graphene nanoribbons (AGNRs) by using an Airy function approach (AFA) and a transfer matrix method (TMM). We used β-type AGNRs, in which its band gap energy and electron effective mass depends on its width as given by the extended Huckel theory. It was shown that the tunneling currents evaluated by employing the AFA are the same as those obtained under the TMM. Moreover, the calculated tunneling current was proportional to the voltage bias and inversely with temperature.
Model Hamiltonian Calculations of the Nonlinear Polarizabilities of Conjugated Molecules.
NASA Astrophysics Data System (ADS)
Risser, Steven Michael
This dissertation advances the theoretical knowledge of the nonlinear polarizabilities of conjugated molecules. The unifying feature of these molecules is an extended delocalized pi electron structure. The pi electrons dominate the electronic properties of the molecules, allowing prediction of molecular properties based on the treatment of just the pi electrons. Two separate pi electron Hamiltonians are used in the research. The principal Hamiltonian used is the non-interacting single-particle Huckel Hamiltonian, which replaces the Coulomb interaction among the pi electrons with a mean field interaction. The simplification allows for exact solution of the Hamiltonian for large molecules. The second Hamiltonian used for this research is the interacting multi-particle Pariser-Parr-Pople (PPP) Hamiltonian, which retains explicit Coulomb interactions. This limits exact solutions to molecules containing at most eight electrons. The molecular properties being investigated are the linear polarizability, and the second and third order hyperpolarizabilities. The hyperpolarizabilities determine the nonlinear optical response of materials. These molecular parameters are determined by two independent approaches. The results from the Huckel Hamiltonian are obtained through first, second and third order perturbation theory. The results from the PPP Hamiltonian are obtained by including the applied field directly in the Hamiltonian and determining the ground state energy at a series of field strengths. By fitting the energy to a polynomial in field strength, the polarizability and hyperpolarizabilities are determined. The Huckel Hamiltonian is used to calculate the third order hyperpolarizability of polyenes. These calculations were the first to show the average hyperpolarizability of the polyenes to be positive, and also to show the saturation of the hyperpolarizability. Comparison of these Huckel results to those from the PPP Hamiltonian shows the lack of explicit Coulomb interactions in the Huckel Hamiltonian results in calculated hyperpolarizabilities that are much larger than the experimentally determined values. Comparison of hyperpolarizabilities calculated for small benzene derivatives using both the Huckel and PPP Hamiltonians shows that inclusion of explicit Coulomb interactions is not as significant for aromatic molecules. This assertion is supported by comparison of the calculated results to the experimentally determined values. This allows for predictions of the hyperpolarizability of various liquid crystal molecules to be made.
Superconductivity under uniaxial compression in β-(BDA-TTP) salts
NASA Astrophysics Data System (ADS)
Suzuki, T.; Onari, S.; Ito, H.; Tanaka, Y.
2009-10-01
In order to clarify the mechanism of organic superconductor β-(BDA-TTP) salts. We study the superconductivity under uniaxial compression with non-dimerized two-band Hubbard model. We have calculated the uniaxial compression dependence of T c by solving the Eliashberg’s equation using the fluctuation exchange (FLEX) approximation. The transfer integral under the uniaxial compression was estimated by the extended Huckel method. We have found that non-monotonic behaviors of T c in experimental results under uniaxial compression are understood taking the spin frustration and spin fluctuation into account.
A Comparison of Molecular Vibrational Theory to Huckel Molecular Orbital Theory.
ERIC Educational Resources Information Center
Keeports, David
1986-01-01
Compares the similar mathematical problems of molecular vibrational calculations (at any intermediate level of sophistication) and molecular orbital calculations (at the Huckel level). Discusses how the generalizations of Huckel treatment of molecular orbitals apply to vibrational theory. (TW)
Electronic Structure in Pi Systems: Part I. Huckel Theory with Electron Repulsion.
ERIC Educational Resources Information Center
Fox, Marye Anne; Matsen, F. A.
1985-01-01
Pi-CI theory is a simple, semi-empirical procedure which (like Huckel theory) treats pi and pseudo-pi orbitals; in addition, electron repulsion is explicitly included and molecular configurations are mixed. Results obtained from application of pi-CI to ethylene are superior to either the Huckel molecular orbital or valence bond theories. (JN)
Janecek, Jirí; Netz, Roland R
2009-02-21
Monte Carlo simulations for the restricted primitive model of an electrolyte solution above the critical temperature are performed at a wide range of concentrations and temperatures. Thermodynamic properties such as internal energy, osmotic coefficient, activity coefficient, as well as spatial correlation functions are determined. These observables are used to investigate whether quasiuniversality in terms of an effective screening length exists, similar to the role played by the effective electron mass in solid-state physics. To that end, an effective screening length is extracted from the asymptotic behavior of the Fourier-transformed charge-correlation function and plugged into the Debye-Huckel limiting expressions for various thermodynamic properties. Comparison with numerical results is favorable, suggesting that correlation and other effects not captured on the Debye-Huckel limiting level can be successfully incorporated by a single effective parameter while keeping the functional form of Debye-Huckel expressions. We also compare different methods to determine mean ionic activity coefficient in molecular simulations and check the internal consistency of the numerical data.
Pi Bond Orders and Bond Lengths
ERIC Educational Resources Information Center
Herndon, William C.; Parkanyi, Cyril
1976-01-01
Discusses three methods of correlating bond orders and bond lengths in unsaturated hydrocarbons: the Pauling theory, the Huckel molecular orbital technique, and self-consistent-field techniques. (MLH)
A Simple Huckel Molecular Orbital Plotter
ERIC Educational Resources Information Center
Ramakrishnan, Raghunathan
2013-01-01
A program is described and presented to readily plot the molecular orbitals from a Huckel calculation. The main features of the program and the scope of its applicability are discussed through some example organic molecules. (Contains 2 figures.)
The Mechanism of Covalent Bonding: Analysis within the Huckel Model of Electronic Structure
ERIC Educational Resources Information Center
Nordholm, Sture; Back, Andreas; Backsay, George B.
2007-01-01
The commonly used Huckel model of electronic structure is employed to study the mechanisms of covalent bonding, a quantum effect related to electron dynamics. The model also explains the conjugation and aromaticity of planar hydrocarbon molecules completely.
Electronic Structure of pi Systems: Part II. The Unification of Huckel and Valence Bond Theories.
ERIC Educational Resources Information Center
Fox, Marye Anne; Matsen, F. A.
1985-01-01
Presents a new view of the electronic structure of pi systems that unifies molecular orbital and valence bond theories. Describes construction of electronic structure diagrams (central to this new view) which demonstrate how configuration interaction can improve qualitative predictions made from simple Huckel theory. (JN)
Analytical Debye-Huckel model for electrostatic potentials around dissolved DNA.
Wagner, K; Keyes, E; Kephart, T W; Edwards, G
1997-07-01
We present an analytical, Green-function-based model for the electric potential of DNA in solution, treating the surrounding solvent with the Debye-Huckel approximation. The partial charge of each atom is accounted for by modeling DNA as linear distributions of atoms on concentric cylindrical surfaces. The condensed ions of the solvent are treated with the Debye-Huckel approximation. The resultant leading term of the potential is that of a continuous shielded line charge, and the higher order terms account for the helical structure. Within several angstroms of the surface there is sufficient information in the electric potential to distinguish features and symmetries of DNA. Plots of the potential and equipotential surfaces, dominated by the phosphate charges, reflect the structural differences between the A, B, and Z conformations and, to a smaller extent, the difference between base sequences. As the distances from the helices increase, the magnitudes of the potentials decrease. However, the bases and sugars account for a larger fraction of the double helix potential with increasing distance. We have found that when the solvent is treated with the Debye-Huckel approximation, the potential decays more rapidly in every direction from the surface than it did in the concentric dielectric cylinder approximation.
Molecular dynamics simulations of dense plasmas
DOE Office of Scientific and Technical Information (OSTI.GOV)
Collins, L.A.; Kress, J.D.; Kwon, I.
1993-12-31
We have performed quantum molecular dynamics simulations of hot, dense plasmas of hydrogen over a range of temperatures(0.1-5eV) and densities(0.0625-5g/cc). We determine the forces quantum mechanically from density functional, extended Huckel, and tight binding techniques and move the nuclei according to the classical equations of motion. We determine pair-correlation functions, diffusion coefficients, and electrical conductivities. We find that many-body effects predominate in this regime. We begin to obtain agreement with the OCP and Thomas-Fermi models only at the higher temperatures and densities.
Analytical Debye-Huckel model for electrostatic potentials around dissolved DNA.
Wagner, K; Keyes, E; Kephart, T W; Edwards, G
1997-01-01
We present an analytical, Green-function-based model for the electric potential of DNA in solution, treating the surrounding solvent with the Debye-Huckel approximation. The partial charge of each atom is accounted for by modeling DNA as linear distributions of atoms on concentric cylindrical surfaces. The condensed ions of the solvent are treated with the Debye-Huckel approximation. The resultant leading term of the potential is that of a continuous shielded line charge, and the higher order terms account for the helical structure. Within several angstroms of the surface there is sufficient information in the electric potential to distinguish features and symmetries of DNA. Plots of the potential and equipotential surfaces, dominated by the phosphate charges, reflect the structural differences between the A, B, and Z conformations and, to a smaller extent, the difference between base sequences. As the distances from the helices increase, the magnitudes of the potentials decrease. However, the bases and sugars account for a larger fraction of the double helix potential with increasing distance. We have found that when the solvent is treated with the Debye-Huckel approximation, the potential decays more rapidly in every direction from the surface than it did in the concentric dielectric cylinder approximation. Images FIGURE 1 FIGURE 2 FIGURE 3 FIGURE 4 FIGURE 5 FIGURE 7 PMID:9199767
NASA Astrophysics Data System (ADS)
Auzar, Zuriana; Johari, Zaharah; Sakina, S. H.; Alias, N. Ezaila
2018-02-01
High sensitivity and selectivity is desired in sensing devices. The aim of this study is to investigate the use of the ion bombardment process in creating a defect on graphene nanoribbons (GNR), which significantly affects sensing properties, in particular adsorption energy, charge transfer and sensitivity. A process has been developed to form the defect on the GNR surface using molecular dynamic (MD) with a reactive force field with nitrogen ion. The sensing properties were calculated using the extended Huckel theory when oxygen (O2) and ammonia (NH3) molecules are exposed to different areas on the defective site. Through simulation, it was found that the ion bombardment process formed various types of defects on the GNR surface. Most notably, molecules adsorbed on the ripple area considerably improve the sensitivity by more than 50%. This indicates that the defect on the armchair graphene nanoribbon (AGNR) surface can be a method to enhance graphene-based sensing performance.
NASA Technical Reports Server (NTRS)
Loew, G. H.; Berkowitz, D.; Chang, S.
1975-01-01
Using the Iterative Extended Huckel Theory (IEHT) calculations of the electron distribution and orbital energies of a series of thirteen amines, nitriles and amino-nitriles relevant to prebiotic and cosmo-chemistry have been carried out. Ground state properties such as the energy and nature of the highest occupied (HOMO) and lowest empty (LEMO) molecular orbitals, net atomic charges and number of nonbonding electrons have been identified as criteria for correlating the relative nucleophilicity of amine and nitrile nitrogens and the electrophilicity of nitrile and other unsaturated carbon atoms. The results of such correlations can be partially verified by known chemical behavior of these compounds and are used to predict and understand their role in prebiotic organic synthesis.
NASA Technical Reports Server (NTRS)
Deprince, J.; Fritzsche, S.; Kallman, T. R.; Palmeri, P.; Quinet, P.
2017-01-01
The influence of plasma environment on the atomic parameters associated with the K-vacancy states has been investigated theoretically for several iron ions. To do this, a time-averaged Debye-Huckel potential for both the electron-nucleus and electron-electron interactions has been considered in the framework of relativistic multiconfiguration Dirac-Fock computations. More particularly, the plasma screening effects on ionization potentials, K-thresholds, transition energies, and radiative rates have been estimated in the astrophysical context of accretion disks around black holes. In the present paper, we describe the behavior of those atomic parameters for Ne-, Na-, Ar-, and K-like iron ions.
The Debye-Huckel Approximation in Electroosmotic Flow in Micro- and Nano-channels
NASA Astrophysics Data System (ADS)
Conlisk, A. Terrence
2002-11-01
In this work we consider the electroosmotic flow in a rectangular channel. We consider a mixture of water or other neutral solvent and a salt compound such as sodium chloride and other buffers for which the ionic species are entirely dissociated. Results are produced for the case where the channel height is much greater than the electric double layer(EDL)(microchannel) and for the case where the channel height is of the order or slightly greater than the width of the EDL(nanochannel). At small cation, anion concentration differences the Debye-Huckel approximation is appropriate; at larger concentration differences, the Gouy-Chapman picture of the electric double emerges naturally. In the symmetric case for the electroosmotic flow so induced, the velocity field and the potential are similar. We specifically focus in this paper on the limits of the Debye-Huckel approximation for a simplified version of a phosphate buffered saline(PBS) mixture. The fluid is assumed to behave as a continuum and the volume flow rate is observed to vary linearly with channel height for electrically driven flow in contrast to pressure driven flow which varies as height cubed. This means that very large pressure drops are required to drive flows in small channels. However, useful volume flow rates may be obtained at a very low driving voltage.
All-Graphene Planar Self-Switching MISFEDs, Metal-Insulator-Semiconductor Field-Effect Diodes
Al-Dirini, Feras; Hossain, Faruque M.; Nirmalathas, Ampalavanapillai; Skafidas, Efstratios
2014-01-01
Graphene normally behaves as a semimetal because it lacks a bandgap, but when it is patterned into nanoribbons a bandgap can be introduced. By varying the width of these nanoribbons this band gap can be tuned from semiconducting to metallic. This property allows metallic and semiconducting regions within a single Graphene monolayer, which can be used in realising two-dimensional (2D) planar Metal-Insulator-Semiconductor field effect devices. Based on this concept, we present a new class of nano-scale planar devices named Graphene Self-Switching MISFEDs (Metal-Insulator-Semiconductor Field-Effect Diodes), in which Graphene is used as the metal and the semiconductor concurrently. The presented devices exhibit excellent current-voltage characteristics while occupying an ultra-small area with sub-10 nm dimensions and an ultimate thinness of a single atom. Quantum mechanical simulation results, based on the Extended Huckel method and Nonequilibrium Green's Function Formalism, show that a Graphene Self-Switching MISFED with a channel as short as 5 nm can achieve forward-to-reverse current rectification ratios exceeding 5000. PMID:24496307
STRUCTURAL DIVERSITY IN SOLID STATE CHEMISTRY:A Story of Squares and Triangles
NASA Astrophysics Data System (ADS)
Lee, Stephen
1996-10-01
A simple method for calculating the electronic energy of extended solids is discussed in this review. This method is based on the Huckel or tight-binding theory in which an explicit pairwise repulsion is added to the generally attractive forces of the partially filled valence electron bands. An expansion based on the power moments of the electronic density of states is discussed, and the structural energy difference theorem is reviewed. The repulsive energy is found to vary linearly with the second power moment of the electronic density of states. These results are then used to show why there is such a diversity of structure in the solid state. The elemental structures of the main group are rationalized by the above methods. It is the third and fourth power moments (which correspond in part to triangles and squares of bonded atoms) that account for much of the elemental structures of the main group elements of the periodic table. This serves as an introduction to further rationalizations of transition for noble metal alloy, binary and ternary telluride and selenide, and other intermetallic structures.Thus a cohesive picture of both covalent and metallic bonding is presented in this review, illustrating the importance of atomic orbitals and their overlap integrals.
NASA Technical Reports Server (NTRS)
Patch, R. W.
1971-01-01
The composition and thermodynamic properties were calculated for 100 to 110,000 K and 1.01325 x 10 to the 2nd power to 1.01325 x 10 to the 8th power N/sq m for chemical equilibrium in the Debye-Huckel and ideal-gas approximations. Quantities obtained were the concentrations of hydrogen atoms, protons, free electrons, hydrogen molecules, negative hydrogen ions, hydrogen diatomic molecular ions, and hydrogen triatomic molecular ions, and the enthalpy, entropy, average molecular weight, specific heat at constant pressure, density, and isentropic exponent. Electronically excited states of H and H2 were included. Choked, isentropic, one-dimensional nozzle flow with shifting chemical equilibrium was calculated to the Debye-Huckel and ideal-gas approximations for stagnation temperatures from 2500 to 100,000 K. The mass flow per unit throat area and the sonic flow factor were obtained. The pressure ratio, temperature, velocity, and ideal and vacuum specific impulses at the throat and for pressure ratios as low as 0.000001 downstream were found. For high temperatures at pressures approaching 1.01325 x 10 to the 8th power N/sq m, the ideal-gas approximation was found to be inadequate for calculations of composition, precise thermodynamic properties, and precise nozzle flow. The greatest discrepancy in nozzle flow occurred in the exit temperature, which was as much as 21 percent higher when the Debye-Huckel approximation was used.
Warping Armchair Graphene Nanoribbon Curvature Effect on Sensing Properties: A Computational Study
NASA Astrophysics Data System (ADS)
Sakina, S. H.; Johari, Zaharah; Auzar, Zuriana; Alias, N. Ezaila; Mohamad, Azam; Zakaria, N. Aini
2018-02-01
The aim of this paper is to investigate the interaction between gas molecules and warped armchair graphene nanoribbons (AGNRs) using Extended-Huckel Theory. There are two types of warping known as inward and upward. The sensing properties including binding energy, charge transfer and sensitivity were examined for both warped AGNR cases for 3m+1 configuration and were compared with previous work. Through simulation, it was found that a substantial increase in binding energy by more than 50% was achieved when warped at a higher angle. It is also showed that there was a significant difference in sensitivity for both warping cases when reacting with O2 and NH3 molecules. Interestingly, the ability of the inward warped in sensing O2 and NH3 considerably increases upon warping angle. By applying back gate bias, this shows that current conductivity of the inward warped is twice as high as the upward warped AGNR.
NASA Astrophysics Data System (ADS)
Sotiriou-Leventis, Chariklia; Hanna, Samir B.; Leventis, Nicholas
1996-04-01
The well-accepted practice of generating a pair of molecular orbitals, one of lower energy and another of higher energy than the original pair of overlapping atomic orbitals, and the concept of a particle in a one-dimensional box are implemented in a simplified, nonmathematical method that explains the relative stabilities and reactivities of alkenes with conjugated versus isolated double bonds. In this method, Huckel-type MO's of higher polyenes are constructed by energy rules of linear combination of atomic orbitals. One additional rule is obeyed: bonding molecular orbitals overlap only with bonding molecular orbitals, and antibonding molecular orbitals overlap only with antibonding molecular orbitals.
Envisaging quantum transport phenomenon in a muddled base pair of DNA
NASA Astrophysics Data System (ADS)
Vohra, Rajan; Sawhney, Ravinder Singh
2018-05-01
The effect of muddled base pair on electron transfer through a deoxyribonucleic acid (DNA) molecule connected to the gold electrodes has been elucidated using tight binding model. The effect of hydrogen and nitrogen bonds on the resistance of the base pair has been minutely observed. Using the semiempirical extended Huckel approach within NEGF regime, we have determined the current and conductance vs. bias voltage for disordered base pairs of DNA made of thymine (T) and adenine (A). The asymmetrical behaviour amid five times depreciation in the current characteristics has been observed for deviated Au-AT base pair-Au devices. An interesting revelation is that the conductance of the intrinsic AT base pair configuration attains dramatically high values with the symmetrical zig-zag pattern of current, which clearly indicates the transformation of the bond length within the strands of base pair when compared with other samples. A thorough investigation of the transmission coefficients T( E) and HOMO-LUMO gap reveals the misalignment of the strands in base pairs of DNA. The observed results present an insight to extend this work to build biosensing devices to predict the abnormality with the DNA.
The Aromaticity of Pericyclic Reaction Transition States
ERIC Educational Resources Information Center
Rzepa, Henry S.
2007-01-01
An approach is presented that starts from two fundamental concepts in organic chemistry, chirality and aromaticity, and combines them into a simple rule for stating selection rules for pericyclic reactions in terms of achiral Huckel-aromatic and chiral Mobius-aromatic transition states. This is illustrated using an example that leads to apparent…
NASA Astrophysics Data System (ADS)
Kaur, Sukhdeep; Randhawa, Deep Kamal Kaur; Bindra Narang, Sukhleen
2018-05-01
Based on Non-Equilibrium Green’s function method, we demonstrate that the twisted deformation is an efficient method to improve the figure of merit ZT of porous armchair graphene nanoribbons AGNRs. The peak value of ZT can be obtained for a certain tunable twist angle. Further analysis shows that the tunable twist angle exhibits an inverse relationship with the pore size laying forth the designers a choice for the larger twists to be replaced by smaller ones simply by increasing the size of the pore. Ballistic transport regime and semi-empirical method using Huckel basis set is used to obtain the electrical properties while the Tersoff potential is employed for the phononic system. These interesting findings indicate that the twisted porous AGNRs can be utilized as designing materials for potential thermoelectric applications.
Second-moment equality and the structural chemistry of the main-group intermetallic compounds
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lee, S.
1991-01-02
The authors determine electron counting rules for ZA{sub 2{minus}x}B{sub x} compounds, where Z is an electropositive atoms and A and B are main-group atoms. These rules are derived from a Huckel-type theory. Agreement between theory and experiment for all the major ZA{sub 2{minus}x}B{sub x} families, which include the MgCu{sub 2}, MoSi{sub 2}, CeCd{sub 2}, CeCu{sub 2}, MgAgAs, CaIn{sub 2}, AlB{sub 2}, ThSi{sub 2}, and Cu{sub 2}Sb structure types, is excellent. The results are interpreted by use of the method of moments.
ERIC Educational Resources Information Center
Box, Vernon G. S.
2011-01-01
pi-Electron delocalization exerts one of the most significant structure or energy influences in organic chemistry. Apart from determining the shapes of alkenes and alkynes, the planarity of aromatic molecules is a hallmark of pi-electron delocalization. Huckel's rules for aromaticity are easily applied in the teaching of undergraduates, but…
The Determination of the pH of Standard Buffer Solution: A Laboratory Experiment.
ERIC Educational Resources Information Center
Harris, K. R.
1985-01-01
Describes an experiment which shows: (1) how measurements of the reaction electromotive force for the cell (Pt/glass/NaCl(aq,m),buffer/AgCl/Ag/Pt) can be utilized in determining the absolute pH of the buffer; and (2) the demonstration of the use of the Debye-Huckel model of an electrolyte solution in solving an important electrochemical problem.…
SURVEY OF RECENT DEVELOPMENTS IN SOLVENT EXTRACTION WITH TRIBUTYL PHOSPHATE
DOE Office of Scientific and Technical Information (OSTI.GOV)
Blanco, R.E.; Blake, C.A. Jr.; Davis, W. Jr.
Tributyl phosphate can be used for extraction in processing all current power reactor fuels. Nitric acid is the only salting agent required. Typical flowsheets are presented. In aluminum nitrate systems which are more than 0.1 M acid deficient, the uranium distribution coefficient is a function of pH and independent of aluminum concentration; the coefficient remains constant at one in fluoride systems when the nitrate to fluoride ratio is approximates 3.5. Many objectionable properties of degraded diluents are ascribed to nitroparaffins. Aliphatic diluents with the least branching are the most stable to nitration. The nitration stability of aromatic diluents varies withmore » structure, e.g., stabilities of diethylbenzenes decrease as meta >> ortho > para. Solvent purification by flash distillation appears superior to other methods. The stability of Amsco 125-82 was permanently improved by treatment with sulfuric acid. The radiation stability of TBP was approximates 2 times higher in an aromatic diluent than in Amsco 125-82. The G decomposition value for 1 M TBP in Amsco alone was approximates 0.9; whereas in 1 to 3 M HNO/sub 3/ it was 1 to 5 and G (--HNO/sub 3/ org phase) was 3 to 20. Variation of uranium--thorium separation factors with structure of some neutral organophosphorus reagents is presented. Basic studies include measurement of activities in multicomponent solutions and description of aqueous activity coefficients by an extended Debye- Huckel equation. (auth)« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Xiaoping; Hammons, Casey; Richmond, Michael G.
2009-01-01
Thermolysis of the dinuclear compound [Cp*IrCl2](2) (1) with ClRe(CO)(5) (2) leads to the formation of the confacial bioctahedral compound Cp*Ir(mu-Cl)(3)Re(CO)(3) (3) in high yield. Whereas the substitution of the chloride ligands in 3 is observed on treatment with excess p-methylbenzenethiol to furnish the sulfido-bridged compound Cp*Ir(mu-SC6H4Me-4)(3)Re(CO)(3) (4), 3 undergoes fragmentation upon reaction with tertiary phosphines [PPh3 and P(OMe)(3)] to furnish the mononuclear compounds CP*IrCl2P and fac-ClRe-(CO3)P-2. Both 3 and 4 have been isolated and fully characterized in solution by IR and H-1 NMR spectroscopies, and their solid-state structures have been established by X-ray crystallography. The redox properties of 3 andmore » 4 have been explored by cyclic voltammetry, and the results are discussed relative to extended Huckel MO calculations.« less
Attractive potential around a thermionically emitting microparticle.
Delzanno, G L; Lapenta, G; Rosenberg, M
2004-01-23
We present a simulation study of the charging of a dust grain immersed in a plasma, considering the effect of thermionic electron emission from the grain. It is shown that the orbit motion limited theory is no longer reliable when electron emission becomes large: screening can no longer be treated within the Debye-Huckel approach and an attractive potential well can form, leading to the possibility of attractive forces on other grains with the same polarity. We suggest to perform laboratory experiments where emitting dust grains could be used to create nonconventional dust crystals or macromolecules.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Davis, M.S.; Forman, A.; Hanson, L.K.
Optical, ESR, ENDOR, and redox characteristics of anion and cation radicals of bacteriochlorophyll b (BChl) and bacteriopheophytin b (BPh) have been obtained in nonaqueous solvents. The radicals exhibit properties similar to those of BChl a derivatives, as expected from extended Huckel and Pariser-Parr-Pople MO calculations. The electronic configurations of the radicals have been assigned on the basis of the MO calculations and by analogy with BChl a and BPh a results. Oxidized reaction centers of Rhodopseudomonas viridis do not display the ..sqrt..2 narrowing of the ESR line width nor the 50% decrease in ENDOR splittings expected for a symmetric cationmore » dimer, when compared to BChl b/sup +/. Nonetheless, computer simulations indicate that a dimeric model for P960, the primary donor of R. viridis, can be rationalized by imposing a torsional angle on ring IV different from that found in crystals of Chl a, i.e., P960 may be a dimer with a twist. Comparison of the resolved ESR spectra and ENDOR splittings of the primary acceptor (I/sup -/) of R. viridis with in-vitro results indicates that I/sup -/ is a monomeric anion. Optical and redox data favor BPh over BChl as the primary acceptor. These results allow a description of the electronic profile of the species which evolve within a picosecond time domain in the primary conversion of light into chemical energy at approx. 1000 nm.« less
The effect of electrodes on 11 acene molecular spin valve: Semi-empirical study
NASA Astrophysics Data System (ADS)
Aadhityan, A.; Preferencial Kala, C.; John Thiruvadigal, D.
2017-10-01
A new revolution in electronics is molecular spintronics, with the contemporary evolution of the two novel disciplines of spintronics and molecular electronics. The key point is the creation of molecular spin valve which consists of a diamagnetic molecule in between two magnetic leads. In this paper, non-equilibrium Green's function (NEGF) combined with Extended Huckel Theory (EHT); a semi-empirical approach is used to analyse the electron transport characteristics of 11 acene molecular spin valve. We examine the spin-dependence transport on 11 acene molecular junction with various semi-infinite electrodes as Iron, Cobalt and Nickel. To analyse the spin-dependence transport properties the left and right electrodes are joined to the central region in parallel and anti-parallel configurations. We computed spin polarised device density of states, projected device density of states of carbon and the electrode element, and transmission of these devices. The results demonstrate that the effect of electrodes modifying the spin-dependence behaviours of these systems in a controlled way. In Parallel and anti-parallel configuration the separation of spin up and spin down is lager in the case of iron electrode than nickel and cobalt electrodes. It shows that iron is the best electrode for 11 acene spin valve device. Our theoretical results are reasonably impressive and trigger our motivation for comprehending the transport properties of these molecular-sized contacts.
Water-water correlations in electrolyte solutions probed by hyper-Rayleigh scattering
NASA Astrophysics Data System (ADS)
Shelton, David P.
2017-12-01
Long-range ion-induced correlations between water molecules have been observed by second-harmonic or hyper-Rayleigh scattering experiments with conflicting results. The most recent work observed a large difference between the results for H2O and D2O, and large discrepancies with the previously proposed theory. However, the present observations are in quantitative agreement with the model where the ion electric field induces second harmonic generation by the water molecules, and ion-ion correlations given by the Debye-Huckel theory account for intensity saturation at high ion concentration. This work compares experimental results with theory and addresses the apparent discrepancies with previous experiments.
Electron transfer in proton-hydrogen collisions under dense quantum plasma
NASA Astrophysics Data System (ADS)
Nayek, Sujay; Bhattacharya, Arka; Kamali, Mohd Zahurin Mohamed; Ghoshal, Arijit; Ratnavelu, Kurunathan
2017-09-01
The effects of dense quantum plasma on 1 s → nlm charge transfer, for arbitrary n,l,m, in proton-hydrogen collisions have been studied by employing a distorted wave approximation. The interactions among the charged particles in the plasma have been represented by modified Debye-Huckel potentials. A detailed study has been made to explore the effects of background plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range 10-1000 keV. For the unscreened case, our results agree well with some of the most accurate results available in the literature.
NASA Astrophysics Data System (ADS)
Anand, Siddeswaran; Muthusamy, Athianna
2017-11-01
Three benzimidazole monomers synthesized by condensing various substituted phenolic aldehydes with 4-methylphenylenediamine were converted in to polymers by oxidative polycondensation. The structure of the monomers and polymers were confirmed by various spectroscopic techniques. Electronic distribution of molecular frontier orbitals and optimized geometries of monomers were calculated by Gaussian 09 package. The spectral results showed that the repeating units are connected through both Csbnd C and Csbnd Osbnd C linkages. Both polymers and monomers are showing good fluorescence emission in blue region. The electrical conductivity of I2 doped PBIs was measured using two point probe technique. The conductivities of PBIs were compared on the basis of the charge densities obtained from Huckel method on imidazole nitrogen which is involved in iodine coordination. The conductivity of polymers increases with increase in iodine vapour contact time. The dielectric properties of the synthesized polymers have been investigated at different temperature and frequency. Among the PBIs, PBIOP is having greater thermal stability and is shown by high carbines residues of around 50% at 500 °C in thermogravimetric analysis.
Sharafat Hossain, Md; Al-Dirini, Feras; Hossain, Faruque M.; Skafidas, Efstratios
2015-01-01
Thermoelectric properties of Graphene nano-ribbons (GNRs) with nanopores (NPs) are explored for a range of pore dimensions in order to achieve a high performance two-dimensional nano-scale thermoelectric device. We reduce thermal conductivity of GNRs by introducing pores in them in order to enhance their thermoelectric performance. The electrical properties (Seebeck coefficient and conductivity) of the device usually degrade with pore inclusion; however, we tune the pore to its optimal dimension in order to minimize this degradation, enhancing the overall thermoelectric performance (high ZT value) of our device. We observe that the side channel width plays an important role to achieve optimal performance while the effect of pore length is less pronounced. This result is consistent with the fact that electronic conduction in GNRs is dominated along its edges. Ballistic transport regime is assumed and a semi-empirical method using Huckel basis set is used to obtain the electrical properties, while the phononic system is characterized by Tersoff empirical potential model. The proposed device structure has potential applications as a nanoscale local cooler and as a thermoelectric power generator. PMID:26083450
Hossain, Md Sharafat; Al-Dirini, Feras; Hossain, Faruque M; Skafidas, Efstratios
2015-06-17
Thermoelectric properties of Graphene nano-ribbons (GNRs) with nanopores (NPs) are explored for a range of pore dimensions in order to achieve a high performance two-dimensional nano-scale thermoelectric device. We reduce thermal conductivity of GNRs by introducing pores in them in order to enhance their thermoelectric performance. The electrical properties (Seebeck coefficient and conductivity) of the device usually degrade with pore inclusion; however, we tune the pore to its optimal dimension in order to minimize this degradation, enhancing the overall thermoelectric performance (high ZT value) of our device. We observe that the side channel width plays an important role to achieve optimal performance while the effect of pore length is less pronounced. This result is consistent with the fact that electronic conduction in GNRs is dominated along its edges. Ballistic transport regime is assumed and a semi-empirical method using Huckel basis set is used to obtain the electrical properties, while the phononic system is characterized by Tersoff empirical potential model. The proposed device structure has potential applications as a nanoscale local cooler and as a thermoelectric power generator.
Gatenby, Robert A; Frieden, B Roy
2010-08-11
Normal cell function requires timely and accurate transmission of information from receptors on the cell membrane (CM) to the nucleus. Movement of messenger proteins in the cytoplasm is thought to be dependent on random walk. However, Brownian motion will disperse messenger proteins throughout the cytosol resulting in slow and highly variable transit times. We propose that a critical component of information transfer is an intracellular electric field generated by distribution of charge on the nuclear membrane (NM). While the latter has been demonstrated experimentally for decades, the role of the consequent electric field has been assumed to be minimal due to a Debye length of about 1 nanometer that results from screening by intracellular Cl- and K+. We propose inclusion of these inorganic ions in the Debye-Huckel equation is incorrect because nuclear pores allow transit through the membrane at a rate far faster than the time to thermodynamic equilibrium. In our model, only the charged, mobile messenger proteins contribute to the Debye length. Using this revised model and published data, we estimate the NM possesses a Debye-Huckel length of a few microns and find this is consistent with recent measurement using intracellular nano-voltmeters. We demonstrate the field will accelerate isolated messenger proteins toward the nucleus through Coulomb interactions with negative charges added by phosphorylation. We calculate transit times as short as 0.01 sec. When large numbers of phosphorylated messenger proteins are generated by increasing concentrations of extracellular ligands, we demonstrate they generate a self-screening environment that regionally attenuates the cytoplasmic field, slowing movement but permitting greater cross talk among pathways. Preliminary experimental results with phosphorylated RAF are consistent with model predictions. This work demonstrates that previously unrecognized Coulomb interactions between phosphorylated messenger proteins and intracellular electric fields will optimize information transfer from the CM to the NM in cells.
Partial compilation and revision of basic data in the WATEQ programs
Nordstrom, D. Kirk; Valentine, S.D.; Ball, J.W.; Plummer, Niel; Jones, B.F.
1984-01-01
Several portions of the basic data in the WATEQ series of computer programs (WATEQ, WATEQF, WATEQ2, WATEQ3, and PHREEQE) are compiled. The density and dielectric constant of water and their temperature dependence are evaluated for the purpose of updating the Debye-Huckel solvent parameters in the activity coefficient equations. The standard state thermodynamic properties of the Fe2+ and Fe3+ aqueous ions are refined. The main portion of this report is a comprehensive listing of aluminum hydrolysis constants, aluminum fluoride, aluminum sulfate, calcium chloride, magnesium chloride, potassium sulfate and sodium sulfate stability constants, solubility product constants for gibbsite and amorphous aluminum hydroxide, and the standard electrode potentials for Fe (s)/Fe2+(aq) and Fe2 +(aq)/Fe3+(aq). (USGS)
Precise energy eigenvalues of hydrogen-like ion moving in quantum plasmas
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dutta, S.; Saha, Jayanta K.; Mukherjee, T. K.
2015-06-15
The analytic form of the electrostatic potential felt by a slowly moving test charge in quantum plasma is developed. It has been shown that the electrostatic potential is composed of two parts: the Debye-Huckel screening term and the near-field wake potential. The latter depends on the velocity of the test charge as well as on the number density of the plasma electrons. Rayleigh-Ritz variational calculation has been done to estimate precise energy eigenvalues of hydrogen-like carbon ion under such plasma environment. A detailed analysis shows that the energy levels gradually move to the continuum with increasing plasma electron density whilemore » the level crossing phenomenon has been observed with the variation of ion velocity.« less
de Vries, R
2004-02-15
Electrostatic complexation of flexible polyanions with the whey proteins alpha-lactalbumin and beta-lactoglobulin is studied using Monte Carlo simulations. The proteins are considered at their respective isoelectric points. Discrete charges on the model polyelectrolytes and proteins interact through Debye-Huckel potentials. Protein excluded volume is taken into account through a coarse-grained model of the protein shape. Consistent with experimental results, it is found that alpha-lactalbumin complexes much more strongly than beta-lactoglobulin. For alpha-lactalbumin, strong complexation is due to localized binding to a single large positive "charge patch," whereas for beta-lactoglobulin, weak complexation is due to diffuse binding to multiple smaller charge patches. Copyright 2004 American Institute of Physics
Transition energies and polarizabilities of hydrogen like ions in plasma
DOE Office of Scientific and Technical Information (OSTI.GOV)
Das, Madhusmita
2012-09-15
Effect of plasma screening on various properties like transition energy, polarizability (dipole and quadrupole), etc. of hydrogen like ions is studied. The bound and free state wave functions and transition matrix elements are obtained by numerically integrating the radial Schrodinger equation for appropriate plasma potential. We have used adaptive step size controlled Runge-Kutta method to perform the numerical integration. Debye-Huckel potential is used to investigate the variation in transition lines and polarizabilities (dipole and quadrupole) with increasing plasma screening. For a strongly coupled plasma, ion sphere potential is used to show the variation in excitation energy with decreasing ion spheremore » radius. It is observed that plasma screening sets in phenomena like continuum lowering and pressure ionization, which are unique to ions in plasma. Of particular interest is the blue (red) shift in transitions conserving (non-conserving) principal quantum number. The plasma environment also affects the dipole and quadrupole polarizability of ions in a significant manner. The bound state contribution to polarizabilities decreases with increase in plasma density whereas the continuum contribution is significantly enhanced. This is a result of variation in the behavior of bound and continuum state wave functions in the presence of plasma. We have compared the results with existing theoretical and experimental data wherever present.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dutta, S.; Saha, J. K.; Chandra, R.
The Rayleigh-Ritz variational technique with a Hylleraas basis set is being tested for the first time to estimate the structural modifications of a lithium atom embedded in a weakly coupled plasma environment. The Debye-Huckel potential is used to mimic the weakly coupled plasma environment. The wave functions for both the helium-like lithium ion and the lithium atom are expanded in the explicitly correlated Hylleraas type basis set which fully takes care of the electron-electron correlation effect. Due to the continuum lowering under plasma environment, the ionization potential of the system gradually decreases leading to the destabilization of the atom. Themore » excited states destabilize at a lower value of the plasma density. The estimated ionization potential agrees fairly well with the few available theoretical estimates. The variation of one and two particle moments, dielectric susceptibility and magnetic shielding constant, with respect to plasma density is also been discussed in detail.« less
Coarse Grained Model for Exploring Voltage Dependent Ion Channels
Dryga, Anatoly; Chakrabarty, Suman; Vicatos, Spyridon; Warshel, Arieh
2011-01-01
The relationship between the membrane voltage and the gating of voltage activated ion channels and other systems have been a problem of great current interest. Unfortunately, reliable molecular simulations of external voltage effects present a major challenge, since meaningful converging microscopic simulations are not yet available and macroscopic treatments involve major uncertainties in terms of the dielectric used and other key features. This work extends our coarse grained (CG) model to simulations of membrane/protein systems under external potential. Special attention has been devoted to a consistent modeling of the effect of external potential due to the electrodes, emphasizing semimacroscopic description of the electrolytes in the solution regions between the membranes and the electrodes, as well as the coupling between the combined potential from the electrodes and electrolytes, and the protein ionization states. We also provide a clear connection to microscopic treatment of the electrolytes and thus can explore possible conceptual problems that are hard to resolve by other current approaches. For example, we obtain a clear description of the charge distribution in the entire electrolyte system, including near the electrodes in membrane/electrodes systems (where continuum models do not seem to provide the relevant results). Furthermore, the present treatment provides an insight on the distribution of the electrolyte charges before and after equilibration across the membrane, and thus on the nature of the gating charge. The different aspects of the model have been carefully validated by considering problems ranging for the simple Debye-Huckel, Gouy-Chapman models to the evaluation of the electrolyte distribution between two electrodes, as well as the effect of extending the simulation system by periodic replicas. Overall the clear connection to microscopic descriptions combined with the power of the CG modeling seems to offer a powerful tool for exploring the balance between the protein conformational energy and the interaction with the external potential in voltage activated channels. With this in mind we present a preliminary study of the gating charge in the voltage activated Kv1.2 channel, using the actual change in the electrolyte charge distribution rather than the conventional macroscopic estimate. We also discuss other special features of the model, which include the ability to capture the effect of changes in the protonation states of the protein residues during the open to close voltage induced transition. PMID:21843502
GEOSURF: a computer program for modeling adsorption on mineral surfaces from aqueous solution
NASA Astrophysics Data System (ADS)
Sahai, Nita; Sverjensky, Dimitri A.
1998-11-01
A new program, GEOSURF, has been developed for calculating aqueous and surface speciation consistent with the triple-layer model of surface complexation. GEOSURF is an extension of the original programs MINEQL, MICROQL and HYDRAQL. We present, here, the basic algorithm of GEOSURF along with a description of the new features implemented. GEOSURF is linked to internally consistent data bases for surface species (SURFK.DAT) and for aqueous species (AQSOL.DAT). SURFK.DAT contains properties of minerals such as site densities, and equilibrium constants for adsorption of aqueous protons and electrolyte ions on a variety of oxides and hydroxides. The Helgeson, Kirkham and Flowers version of the extended Debye-Huckel Equation for 1:1 electrolytes is implemented for calculating aqueous activity coefficients. This permits the calculation of speciation at ionic strengths greater than 0.5 M. The activity of water is computed explicitly from the osmotic coefficient of the solution, and the total amount of electrolyte cation (or anion) is adjusted to satisfy the electroneutrality condition. Finally, the use of standard symbols for chemical species rather than species identification numbers is included to facilitate use of the program. One of the main limitations of GEOSURF is that aqueous and surface speciation can only be calculated at fixed pH and at fixed concentration of total adsorbate. Thus, the program cannot perform reaction-path calculations: it cannot determine whether or not a solution is over- or under-saturated with respect to one or more solid phases. To check the proper running of GEOSURF, we have compared results generated by GEOSURF with those from two other programs, HYDRAQL and EQ3. The Davies equation and the "bdot" equation, respectively, are used in the latter two programs for calculating aqueous activity coefficients. An example of the model fit to experimental data for rutile in 0.001 M-2.0 M NaNO 3 is included.
A molecular Debye-Huckel theory of solvation in polar fluids: An extension of the Born model
DOE Office of Scientific and Technical Information (OSTI.GOV)
Xiao, Tiejun; Song, Xueyu
A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated inmore » a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. In conclusion, our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.« less
A molecular Debye-Huckel theory of solvation in polar fluids: An extension of the Born model
Xiao, Tiejun; Song, Xueyu
2017-12-06
A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated inmore » a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. In conclusion, our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.« less
Effect of Base Sequence "Defects" on the Electrostatic Potential of Dissolved DNA
NASA Astrophysics Data System (ADS)
Adams, Scott V.; Wagner, Katrina; Kephart, Thomas S.; Edwards, Glenn
1997-11-01
An analytical model of the electrostatic potential surrounding dissolved DNA has been developed. The model consists of an all-atom, mathematically helical structure for DNA, in which the atoms are arranged in infinite lines of discrete point charges on concentric cylindrical surfaces. The surrounding solvent and counterions are treated with the Debye-Huckel approximation (Wagner et al., Biophysical Journal 73, 21-30, 1997). Variation in the electrostatic potential due to structural differences between A, B, and Z conformations and homopolymer base sequence is apparent. The most recent modification to the model exploits the principle of superposition to calculate the potential of DNA with a base sequence containing `defects.' That is, the base sequence is no longer uniform along the polymer. Differences between the potential of homopolymer DNA and the potential of DNA containing base `defects' are immediately obvious. These results may aid in understanding the role of electrostatics in base-sequence specificity exhibited by DNA-binding proteins.
Formation of H̅ in p̅-Ps collisions embedded in plasmas
NASA Astrophysics Data System (ADS)
Ratnavelu, Kuru; Ghoshal, Arijit; Nayek, Sujay; Bhattacharya, Arka; Mohamed Kamali, Mohd Zahurin
2016-04-01
Screening effects of plasmas on the formation of antihydrogen (H̅) in an arbitrary s-state from the ground state of the positronium atom (Ps) by antiproton (p̅) impact have been studied within the framework of charge-conjugation and time-reversal invariance. Two types of plasma environments have been considered, namely weakly coupled plasma and dense quantum plasma. For weakly coupled plasma, the interactions among the charged particles in plasma have been represented by Debye-Huckel screening model, whereas for dense quantum plasma, interactions among the charged particles in plasma have been represented by exponential cosine-screened Coulomb potentials. Effects of plasma screening on the antihydrogen formation cross section have been studied in the energy range 15-400 keV of incident antiproton. For the free atomic case, our results agree well with some of the most accurate results available in the literature. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.
RACER a Coarse-Grained RNA Model for Capturing Folding Free Energy in Molecular Dynamics Simulations
NASA Astrophysics Data System (ADS)
Cheng, Sara; Bell, David; Ren, Pengyu
RACER is a coarse-grained RNA model that can be used in molecular dynamics simulations to predict native structures and sequence-specific variation of free energy of various RNA structures. RACER is capable of accurate prediction of native structures of duplexes and hairpins (average RMSD of 4.15 angstroms), and RACER can capture sequence-specific variation of free energy in excellent agreement with experimentally measured stabilities (r-squared =0.98). The RACER model implements a new effective non-bonded potential and re-parameterization of hydrogen bond and Debye-Huckel potentials. Insights from the RACER model include the importance of treating pairing and stacking interactions separately in order to distinguish folded an unfolded states and identification of hydrogen-bonding, base stacking, and electrostatic interactions as essential driving forces for RNA folding. Future applications of the RACER model include predicting free energy landscapes of more complex RNA structures and use of RACER for multiscale simulations.
Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion
NASA Astrophysics Data System (ADS)
Buyukdagli, Sahin; Achim, C. V.; Ala-Nissila, T.
2012-09-01
Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)], 10.1140/epje/i2002-10159-0. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρb ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρb ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface. This competition can be quantified in terms of the characteristic surface charge σ _s^*=√{2ρ _b/(π ℓ _B)}, where ℓB = 7 Å is the Bjerrum length. In the case of weak surface charges σ _s≪ σ _s^* where counterions form a diffuse layer, the interfacial salt screening loss is the dominant effect. As a result, correlation effects decrease the mean-field density of both coions and counterions. With an increase of the surface charge towards σ _s^*, the surface-attractive counterion screening excess starts to dominate, and correlation effects amplify in this regime the mean-field density of both type of ions. However, in the regime σ _s>σ _s^*, the same counterion screening excess also results in a significant decrease of the electrostatic mean-field potential. This reduces in turn the mean-field counterion density far from the charged surface. We also show that for σ _s≫ σ _s^*, electrostatic correlations result in a charge inversion effect. However, the electrostatic coupling regime where this phenomenon takes place should be verified with Monte Carlo simulations since this parameter regime is located beyond the validity range of the one-loop theory.
Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion.
Buyukdagli, Sahin; Achim, C V; Ala-Nissila, T
2012-09-14
Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)]. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρ(b) ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρ(b) ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface. This competition can be quantified in terms of the characteristic surface charge σ(s)*=√(2ρ(b)/(πl(B)), where l(B) = 7 Å is the Bjerrum length. In the case of weak surface charges σ(s)≪σ(s)* where counterions form a diffuse layer, the interfacial salt screening loss is the dominant effect. As a result, correlation effects decrease the mean-field density of both coions and counterions. With an increase of the surface charge towards σ(s)*, the surface-attractive counterion screening excess starts to dominate, and correlation effects amplify in this regime the mean-field density of both type of ions. However, in the regime σ(s)>σ(s)*, the same counterion screening excess also results in a significant decrease of the electrostatic mean-field potential. This reduces in turn the mean-field counterion density far from the charged surface. We also show that for σ(s)≫σ(s)*, electrostatic correlations result in a charge inversion effect. However, the electrostatic coupling regime where this phenomenon takes place should be verified with Monte Carlo simulations since this parameter regime is located beyond the validity range of the one-loop theory.
Electrostatic design of protein-protein association rates.
Schreiber, Gideon; Shaul, Yossi; Gottschalk, Kay E
2006-01-01
De novo design and redesign of proteins and protein complexes have made promising progress in recent years. Here, we give an overview of how to use available computer-based tools to design proteins to bind faster and tighter to their protein-complex partner by electrostatic optimization between the two proteins. Electrostatic optimization is possible because of the simple relation between the Debye-Huckel energy of interaction between a pair of proteins and their rate of association. This can be used for rapid, structure-based calculations of the electrostatic attraction between the two proteins in the complex. Using these principles, we developed two computer programs that predict the change in k(on), and as such the affinity, on introducing charged mutations. The two programs have a web interface that is available at
Very High Frequency Epr: Instrument and Applications
NASA Astrophysics Data System (ADS)
Wang, Wei
Most Electron Paramagnetic Resonance (EPR, also known as ESR or EMR) experiments are performed at conventional 9 GHz or 35 GHz frequency. But there are numerous situations in which a large increase in the microwave frequency (and/or magnetic field) will result in substantial increase in the information content in EPR spectra. This has motivated us to construct a very high frequency (VHF, 95 GHz) EPR spectrometer at Illinois EPR Research Center. Many advantages of VHF EPR are demonstrated through examples in Chapter 1. The spectrometer and some unique aspects of the instrument are described and documented in Chapter 2. Chapter 3 reports use of the VHF EPR technique to study the structure/spectral relationship of a homologous series of thiophenes, which may be constituents of coal. Two successful methods to generate the cation radicals of these organic sulfur compounds are found. The g matrices (tensors) of the thiophenic radicals are obtained for the first time. The small differences between anisotropic components of the g matrices can be unambiguously resolved. Correlations of the experimentally measured g matrices with the molecular and electronic structures are reported. The g shifts correlate linearly with lambda of their Huckel molecular orbitals; the largest g components are proportional to the pi spin densities on sulfur. In addition, the small proton hyperfine interactions of dibenzothiophene (DBT) are observed for the first time by continuous wave VHF EPR. A multifrequency approach, including auxiliary 2-4 GHz pulsed measurement, has shown that a single set of spin Hamiltonian parameters describes the spin system of DBT over a microwave frequency span of 3 to 95 GHz. These newly available, detailed, and accurate data provide a valuable opportunity to test, and perhaps to improve, the existing theoretical models for predictions on g matrices of organic radicals. Finally, Chapter 4 reports trial calculations of g matrices by several molecular orbital methods.
NASA Astrophysics Data System (ADS)
Anand, Siddeswaran; Muthusamy, Athianna
2018-03-01
A series of benzimidazole monomers, (2-(2, 4-dihydroxyphenyl)-1H-benzimidazol-5-yl)(phenyl) methanone (BIKH), 2-(3-ethoxy-2-hydroxyphenyl)-1H-benzo [d]imidazole-5-yl) (phenyl) methanone (BIKE) and 2-(5-bromo-2-hydroxyphenyl)-1H-benzo [d]imidazole-5-yl) (phenyl) methanone (BIKB) were prepared by condensing three substituted aromatic aldehydes with 3, 4-diaminobenzophenone. In aqueous alkaline medium the benzimidazoles were converted in to oligomers by oxidative polycondensation using NaOCl as oxidant. The formation of monomers and oligomers were confirmed with 1H, 13C NMR, FT-IR, and UV-visible spectroscopic techniques. The oligomers were investigated for their optical, electrical, electrochemical and thermal properties. The electrochemical and optical band gaps of monomers and oligomers were calculated using both UV-visible spectroscopy and cyclic voltametry respectively. The band gap values of monomers are compared with band gap values obtained from quantum theoretical calculations with DFT. The electrical conductivity studies of iodine doped and undoped oligomers were done using two point probe technique. It is found that these values are showing good correlation with the charge densities on imidazole nitrogen obtained from Huckel method. The conductivity of oligomers increases with increase in iodine vapour contact time. The dielectric properties of oligomers have been investigated at different temperature and frequency. The dielectric measurement data were used to calculate the AC conductivity and activation energy of oligomers. Oligomer OBIKH is having greater thermal stability due to its number of chain propagation sites than other oligomers and is shown by its high carbines residue of around 60% at 600 °C in thermogravimetric analysis. I-V characteristics of oligobenzimidazole p-n diodes have shown good rectifying nature in the range -4 to 4 V.
NASA Astrophysics Data System (ADS)
Anand, Siddeswaran; Muthusamy, Athianna; Dineshkumar, Sengottuvelu; Chandrasekaran, J.
2017-11-01
A series of polybenzimidazole polymers, poly-2-(1H-benzo[d] imidazole-2-yl) phenol (PBIP2), poly-3-(1H-benzo[d] imidazole-2-yl) phenol (PBIP3) and poly-4-(1H-benzo[d] imidazole-2-yl) phenol (PBIP4) were synthesized by oxidative polycondensation of benzimidazole monomers 2-(1H-benzo [d] imidazole-2-yl) phenol (BIP2), 3-(1H-benzo [d] imidazole-2-yl) phenol (BIP3) and 4-(1H-benzo [d] imidazole-2-yl) phenol (BIP4). The structure of benzimidazoles monomers and polybenzimidazoles (PBI) were confirmed by various spectroscopic techniques. The quantum theoretical calculations of band gap energy values of monomers were done with DFT and are compared with its optical band gap energy values. Fluorescence spectra of these compounds showed maximum emission in blue region. The electrical conductivity of PBIs was measured by four-point probe technique and showed good electrical response on iodine doping and conductivity increases with increase iodine doping time. The differences in conductivities among the three PBIs are in accordance with the charge density on imidazole nitrogens calculated by Huckel method. The high carbines residue (∼40%) at 500 °C in thermo gravimetric analysis shows that the PBIs are having reasonably good thermal stability. Polymers have recorded high dielectric constant at low applied frequency of 50 Hz at 393 K. The I-V characteristics of polybenzimidazoles p-n diodes showed rectifying nature with a typical forward to reverse current in the range -4 to 4 V. The high n values are caused by non homogeneities and effect of series resistance.
NASA Astrophysics Data System (ADS)
Askari, Omid; Beretta, Gian Paolo; Eisazadeh-Far, Kian; Metghalchi, Hameed
2016-07-01
Thermodynamic properties of hydrocarbon/air plasma mixtures at ultra-high temperatures must be precisely calculated due to important influence on the flame kernel formation and propagation in combusting flows and spark discharge applications. A new algorithm based on the complete chemical equilibrium assumption is developed to calculate the ultra-high temperature plasma composition and thermodynamic properties, including enthalpy, entropy, Gibbs free energy, specific heat at constant pressure, specific heat ratio, speed of sound, mean molar mass, and degree of ionization. The method is applied to compute the thermodynamic properties of H2/air and CH4/air plasma mixtures for different temperatures (1000-100 000 K), different pressures (10-6-100 atm), and different fuel/air equivalence ratios within flammability limit. In calculating the individual thermodynamic properties of the atomic species needed to compute the complete equilibrium composition, the Debye-Huckel cutoff criterion has been used for terminating the series expression of the electronic partition function so as to capture the reduction of the ionization potential due to pressure and the intense connection between the electronic partition function and the thermodynamic properties of the atomic species and the number of energy levels taken into account. Partition functions have been calculated using tabulated data for available atomic energy levels. The Rydberg and Ritz extrapolation and interpolation laws have been used for energy levels which are not observed. The calculated plasma properties are then presented as functions of temperature, pressure and equivalence ratio, in terms of a new set of thermodynamically self-consistent correlations that are shown to provide very accurate fits suitable for efficient use in CFD simulations. Comparisons with existing data for air plasma show excellent agreement.
Eddy, Nnabuk O.; Momoh-Yahaya, H.; Oguzie, Emeka E.
2014-01-01
Experimental aspect of the corrosion inhibition potential of adenine (AD), guanine (GU) and, hypoxanthine (HYP) was carried out using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods while the theoretical aspect of the work was carried out by calculations of semi-empirical parameters (for AM1, MNDO, CNDO, PM3 and RM1 Hamiltonians), Fukui functions and inhibitor–metal interaction energies. Results obtained from the experimental studies were in good agreement and indicated that adenine (AD), guanine (GU) and hypoxanthine (HYP) are good adsorption inhibitors for the corrosion of aluminum in solutions of HCl. Data obtained from electrochemical experiment revealed that the studied purines functioned by adsorption on the aluminum/HCl interface and inhibited the cathodic half reaction to a greater extent and anodic half reaction to a lesser extent. The adsorption of the purines on the metal surface was found to be exothermic and spontaneous. Deviation of the adsorption characteristics of the studied purines from the Langmuir adsorption model was compensated by the fitness of Flory Huggins and El Awardy et al. adsorption models. Quantum chemical studies revealed that the experimental inhibition efficiencies of the studied purines are functions of some quantum chemical parameters including total energy of the molecules (TE), energy gap (EL–H), electronic energy of the molecule (EE), dipole moment and core–core repulsion energy (CCR). Fukui functions analysis through DFT and MP2 theories indicated slight complications and unphysical results. However, results obtained from calculated Huckel charges, molecular orbital and interaction energies, the adsorption of the inhibitors proceeded through the imine nitrogen (N5) in GU, emanine nitrogen (N7) in AD and the pyridine nitrogen (N5) in HPY. PMID:25750754
Eddy, Nnabuk O; Momoh-Yahaya, H; Oguzie, Emeka E
2015-03-01
Experimental aspect of the corrosion inhibition potential of adenine (AD), guanine (GU) and, hypoxanthine (HYP) was carried out using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods while the theoretical aspect of the work was carried out by calculations of semi-empirical parameters (for AM1, MNDO, CNDO, PM3 and RM1 Hamiltonians), Fukui functions and inhibitor-metal interaction energies. Results obtained from the experimental studies were in good agreement and indicated that adenine (AD), guanine (GU) and hypoxanthine (HYP) are good adsorption inhibitors for the corrosion of aluminum in solutions of HCl. Data obtained from electrochemical experiment revealed that the studied purines functioned by adsorption on the aluminum/HCl interface and inhibited the cathodic half reaction to a greater extent and anodic half reaction to a lesser extent. The adsorption of the purines on the metal surface was found to be exothermic and spontaneous. Deviation of the adsorption characteristics of the studied purines from the Langmuir adsorption model was compensated by the fitness of Flory Huggins and El Awardy et al. adsorption models. Quantum chemical studies revealed that the experimental inhibition efficiencies of the studied purines are functions of some quantum chemical parameters including total energy of the molecules (TE), energy gap (E L-H), electronic energy of the molecule (EE), dipole moment and core-core repulsion energy (CCR). Fukui functions analysis through DFT and MP2 theories indicated slight complications and unphysical results. However, results obtained from calculated Huckel charges, molecular orbital and interaction energies, the adsorption of the inhibitors proceeded through the imine nitrogen (N5) in GU, emanine nitrogen (N7) in AD and the pyridine nitrogen (N5) in HPY.
Paramagnetic or diamagnetic persistent currents? A topological point of view
NASA Astrophysics Data System (ADS)
Waintal, Xavier
2009-03-01
A persistent current flows at low temperatures in small conducting rings when they are threaded by a magnetic flux. I will discuss the sign of this persistent current (diamagnetic or paramagnetic response) in the special case of N electrons in a one dimensional ring [1]. One dimension is very special in the sense that the sign of the persistent current is entirely controlled by the topology of the system. I will establish lower bounds for the free energy in the presence of arbitrary electron-electron interactions and external potentials. Those bounds are the counterparts of upper bounds derived by Leggett using another topological argument. Rings with odd (even) numbers of polarized electrons are always diamagnetic (paramagnetic). The situation is more interesting with unpolarized electrons where Leggett upper bound breaks down: rings with N=4n exhibit either paramagnetic behavior or a superconductor-like current-phase relation. The topological argument provides a rigorous justification for the phenomenological Huckel rule which states that cyclic molecules with 4n + 2 electrons like benzene are aromatic while those with 4n electrons are not. [4pt] [1] Xavier Waintal, Geneviève Fleury, Kyryl Kazymyrenko, Manuel Houzet, Peter Schmitteckert, and Dietmar Weinmann Phys. Rev. Lett.101, 106804 (2008).
Electronic Structure and Properties of Deformed Carbon Nanotubes
NASA Technical Reports Server (NTRS)
Yang, Liu; Arnold, Jim (Technical Monitor)
2001-01-01
A theoretical framework based on Huckel tight-binding model has been formulated to analyze the electronic structure of carbon nanotubes under uniform deformation. The model successfully quantifies the dispersion relation, density of states and bandgap change of nanotubes under uniform stretching, compression, torsion and bending. Our analysis shows that the shifting of the Fermi point away from the Brillouin zone vertices is the key reason for these changes. As a result of this shifting, the electronic structure of deformed carbon nanotubes varies dramatically depending on their chirality and deformation mode. Treating the Fermi point as a function of strain and tube chirality, the analytical solution preserves the concise form of undeformed carbon nanotubes. It predicts the shifting, merging and splitting of the Van Hove singularities in the density of states and the zigzag pattern of bandgap change under strains. Four orbital tight-binding simulations of carbon nanotubes under uniform stretching, compression, torsion and bending have been performed to verify the analytical solution. Extension to more complex systems are being performed to relate this analytical solution to the spectroscopic characterization, device performance and proposed quantum structures induced by the deformation. The limitations of this model will also be discussed.
Bhattacharjee, Saikat; Mondal, Mrinmoy; De, Sirshendu
2017-05-01
Effects of overlapping electric double layer and high wall potential on transport of a macrosolute for flow of a power law fluid through a microchannel with porous walls are studied in this work. The electric potential distribution is obtained by coupling the Poisson's equation without considering the Debye-Huckel approximation. The numerical solution shows that the center line potential can be 16% of wall potential at pH 8.5, at wall potential -73 mV and scaled Debye length 0.5. Transport phenomena involving mass transport of a neutral macrosolute is formulated by species advective equation. An analytical solution of Sherwood number is obtained for power law fluid. Effects of fluid rheology are studied in detail. Average Sherwood number is more for a pseudoplastic fluid compared to dilatant upto the ratio of Poiseuille to electroosmotic velocity of 5. Beyond that, the Sherwood number is independent of fluid rheology. Effects of fluid rheology and solute size on permeation flux and concentration of neutral solute are also quantified. More solute permeation occurs as the fluid changes from pseudoplastic to dilatant. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Kinetics of Diffusional Droplet Growth in a Liquid/Liquid Two-Phase System
NASA Technical Reports Server (NTRS)
Glicksman, M. E.; Fradkov, V. E.
1996-01-01
We address the problem of diffusional interactions in a finite sized cluster of spherical particles for volume fractions, V(sub v) in the range 0-0.01. We determined the quasi-static monopole diffusion solution for n particles distributed at random in a continuous matrix. A global mass conservation condition is employed, obviating the need for any external boundary condition. The numerical results provide the instantaneous (snapshot) growth or shrinkage rate of each particle, precluding the need for extensive time-dependent computations. The close connection between these snapshot results and the coarsegrained kinetic constants are discussed. A square-root dependence of the deviations of the rate constants from their zero volume fraction value is found for the higher V(sub v) investigated. This behavior is consistent with predictions from diffusion Debye-Huckel screening theory. By contrast, a cube-root dependence, reported in earlier numerical studies, is found for the lower V(sub v) investigated. The roll-over region of the volume fraction where the two asymptotics merge depends on the number of particles, n, alone. A theoretical estimate for the roll-over point predicts that the corresponding V(sub v) varies as n(sup -2), in good agreement with the numerical results.
NASA Astrophysics Data System (ADS)
Fowler, S. J.; Driesner, T.; Hingerl, F. F.; Kulik, D. A.; Wagner, T.
2011-12-01
We apply a new, C++-based computational model for hydrothermal fluid-rock interaction and scale formation in geothermal reservoirs. The model couples the Complex System Modelling Platform (CSMP++) code for fluid flow in porous and fractured media (Matthai et al., 2007) with the Gibbs energy minimization numerical kernel GEMS3K of the GEM-Selektor (GEMS3) geochemical modelling package (Kulik et al., 2010) in a modular fashion. CSMP++ includes interfaces to commercial file formats, accommodating complex geometry construction using CAD (Rhinoceros) and meshing (ANSYS) software. The CSMP++ approach employs finite element-finite volume spatial discretization, implicit or explicit time discretization, and operator splitting. GEMS3K can calculate complex fluid-mineral equilibria based on a variety of equation of state and activity models. A selection of multi-electrolyte aqueous solution models, such as extended Debye-Huckel, Pitzer (Harvie et al., 1984), EUNIQUAC (Thomsen et al., 1996), and the new ELVIS model (Hingerl et al., this conference), makes it well-suited for application to a wide range of geothermal conditions. An advantage of the GEMS3K solver is simultaneous consideration of complex solid solutions (e.g., clay minerals), gases, fluids, and aqueous solutions. Each coupled simulation results in a thermodynamically-based description of the geochemical and physical state of a hydrothermal system evolving along a complex P-T-X path. The code design allows efficient, flexible incorporation of numerical and thermodynamic database improvements. We demonstrate the coupled code workflow and applicability to compositionally and physically complex natural systems relevant to enhanced geothermal systems, where temporally and spatially varying chemical interactions may take place within diverse lithologies of varying geometry. Engesgaard, P. & Kipp, K. L. (1992). Water Res. Res. 28: 2829-2843. Harvie, C. E.; Møller, N. & Weare, J. H. (1984). Geochim. Cosmochim. Acta 48: 723-751. Kulik, D. A., Wagner, T., Dmytrieva S. V, et al. (2010). GEM-Selektor home page, Paul Scherrer Institut. Available at http://gems.web.psi.ch. Matthäi, S. K., Geiger, S., Roberts, S. G., Paluszny, A., Belayneh, M., Burri, A., Mezentsev, A., Lu, H., Coumou, D., Driesner, T. & Heinrich C. A. (2007). Geol. Soc. London, Spec. Publ. 292: 405-429. Thomsen, K. Rasmussen, P. & Gani, R. (1996). Chem. Eng. Sci. 51: 3675-3683.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kubas, G.J.; Burns, C.J.; Eckert, J.
1993-01-27
The synthesis and characterization of derivatives of Mo(CO)(R[sub 2]PC[sub 2]H[sub 4]PR[sub 2])[sub 2] (R = Et, i-Bu, Ph, Et-Ph) and their reactions with H[sub 2], N[sub 2], and SO[sub 2] are reported. For R = Et and i-Bu, the H[sub 2] oxidatively adds to give dihydrides, but for R = Ph, a [eta][sup 2]-H[sub 2] complex is formed. Single-crystal neutron diffraction of Mo(CO)(H[sub 2])(Ph[sub 2]PC[sub 2]H[sub 4]PPh[sub 2])[sub 2] (as a 4.5-benzene solvate with all Ph groups deuterated) at 12 K showed the H-H bond to be oriented trans to the CO and parallel to a P-Mo-P axis, with amore » length close to that of free H[sub 2] (0.74 [Angstrom]). However, the thermal ellipsoids were very large, and inelastic neutron scattering showed that the barrier to rotation of the H[sub 2] is the lowest yet measured, ca. 0.7 kcal/mol. These observations indicate that librational motion of the H[sub 2] is artificially foreshortening the H-H bond length. Application of a correction procedure gave a distance of 0.80-0.85 [Angstrom] as being more likely. Extended Huckel calculations successfully modeled the H[sub 2] coordination and also showed a low rotational barrier (1.4 kcal/mol). Theoretical considerations suggest that the degree of distortion of the MP[sub 4] skeleton is largely responsible for the ability of the complex to bind molecular hydrogen and controls the amount of back-bonding from the metal d-orbital to H[sub 2] [sigma][sup *]. The lack of an elongated H-H bond length or equilibrium with a dihydride tautomer, despite the apparent nearness of the H[sub 2] to cleavage, leads to the conclusion that the reaction coordinate for oxidative addition of H[sub 2] is rather flat until relatively precipitous cleavage of the H[sub 2]. Mo(CO)(H[sub 2])[(C[sub 6]D[sub 5])[sub 2]PC[sub 2]H[sub 4]P(C[sub 6]D[sub 5])[sub 2
Explicit methods in extended phase space for inseparable Hamiltonian problems
NASA Astrophysics Data System (ADS)
Pihajoki, Pauli
2015-03-01
We present a method for explicit leapfrog integration of inseparable Hamiltonian systems by means of an extended phase space. A suitably defined new Hamiltonian on the extended phase space leads to equations of motion that can be numerically integrated by standard symplectic leapfrog (splitting) methods. When the leapfrog is combined with coordinate mixing transformations, the resulting algorithm shows good long term stability and error behaviour. We extend the method to non-Hamiltonian problems as well, and investigate optimal methods of projecting the extended phase space back to original dimension. Finally, we apply the methods to a Hamiltonian problem of geodesics in a curved space, and a non-Hamiltonian problem of a forced non-linear oscillator. We compare the performance of the methods to a general purpose differential equation solver LSODE, and the implicit midpoint method, a symplectic one-step method. We find the extended phase space methods to compare favorably to both for the Hamiltonian problem, and to the implicit midpoint method in the case of the non-linear oscillator.
NASA Technical Reports Server (NTRS)
Bhatia, A. K.; Sinha, C.
2012-01-01
The free-free transition is studied for an electron-hydrogen atom in ground state when a low-energy electron (external) is injected into hydrogenic plasma in the presence of an external homogenous, monochromatic, and linearly polarized laser field. The effect of plasma screening is considered in the Debye-Huckel approximation. The calculations are performed in the soft photon limit. The incident electron is considered to be dressed by the laser field in a nonperturbative manner by choosing the Volkov solutions in both the initial and final channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the electron exchange. The laser-assisted differential and total cross sections are calculated for single-photon absorption or emission and no-photon exchange in the soft photon limit, the laser intensity being much less than the atomic field intensity. The calculations have been carried out for various values of Debye parameter, ranging from 0.005 to 0.12. A strong suppression is noted in the laser-assisted cross sections as compared to the field-free situation. A significant difference is noted for the singlet and triplet cross sections. The suppression is much more in the triplet states.
Electro-osmotic flow of couple stress fluids in a micro-channel propagated by peristalsis
NASA Astrophysics Data System (ADS)
Tripathi, Dharmendra; Yadav, Ashu; Anwar Bég, O.
2017-04-01
A mathematical model is developed for electro-osmotic peristaltic pumping of a non-Newtonian liquid in a deformable micro-channel. Stokes' couple stress fluid model is employed to represent realistic working liquids. The Poisson-Boltzmann equation for electric potential distribution is implemented owing to the presence of an electrical double layer (EDL) in the micro-channel. Using long wavelength, lubrication theory and Debye-Huckel approximations, the linearized transformed dimensionless boundary value problem is solved analytically. The influence of electro-osmotic parameter (inversely proportional to Debye length), maximum electro-osmotic velocity (a function of external applied electrical field) and couple stress parameter on axial velocity, volumetric flow rate, pressure gradient, local wall shear stress and stream function distributions is evaluated in detail with the aid of graphs. The Newtonian fluid case is retrieved as a special case with vanishing couple stress effects. With increasing the couple stress parameter there is a significant increase in the axial pressure gradient whereas the core axial velocity is reduced. An increase in the electro-osmotic parameter both induces flow acceleration in the core region (around the channel centreline) and it also enhances the axial pressure gradient substantially. The study is relevant in the simulation of novel smart bio-inspired space pumps, chromatography and medical micro-scale devices.
NASA Astrophysics Data System (ADS)
Marlowe, Robert Lloyd
The dynamic light scattering technique of photon correlation spectroscopy has been used to investigate the dependence of the mutual diffusion coefficient of a macromolecular system upon concentration. The first part of the research was devoted to the design and construction of a single-clipping autocorrelator based on newly-developed integrated circuits. The resulting 128 channel instrument can perform real time autocorrelation for sample time intervals >(, )10 (mu)s, and batch processed autocorrelation for intervals down to 3 (mu)s. An improved design for a newer, all-digital autocorrelator is given. Homodyne light scattering experiments were then undertaken on monodisperse solutions of polystyrene spheres. The single-mode TEM(,oo) beam of an argon-ion laser ((lamda) = 5145 (ANGSTROM)) was used as the light source; all solutions were studied at room temperature. The scattering angle was varied from 30(DEGREES) to 110(DEGREES). Excellent agreement with the manufacturer's specification for the particle size was obtained from the photon correlation studies. Finally, aqueous solutions of the globular protein ovalbumin, ranging in concentration from 18.9 to 244.3 mg/ml, were illuminated under the same conditions of temperature and wavelength as before; the homodyne scattered light was detected at a fixed scattering angle of 30(DEGREES). The single-clipped photocount autocorrelation function was analyzed using the homodyne exponential integral method of Meneely et al. The resulting diffusion coefficients showed a general linear dependence upon concentration, as predicted by the generalized Stokes-Einstein equation. However, a clear peak in the data was evident at c (TURNEQ) 100 mg/ml, which could not be explained on the basis of a non -interacting particle theory. A semi-quantitative approach based on the Debye-Huckel theory of electrostatic interactions is suggested as the probable cause for the peak's rise, and an excluded volume effect for its decline.
Direct design of aspherical lenses for extended non-Lambertian sources in two-dimensional geometry
Wu, Rengmao; Hua, Hong; Benítez, Pablo; Miñano, Juan C.
2016-01-01
Illumination design for extended sources is very important for practical applications. The existing direct methods that are all developed for extended Lambertian sources are not applicable to extended non-Lambertian sources whose luminance is a function of position and direction. What we present in this Letter is to our knowledge the first direct method for extended non-Lambertian sources. In this method, the edge rays and the interior rays are both used, and the output intensity at a given direction is calculated to be the integral of the luminance function of all the outgoing rays at this direction. No cumbersome iterative illuminance compensation is needed. Two examples are presented to demonstrate the elegance of this method in prescribed intensity design for extended non-Lambertian sources in two-dimensional geometry. PMID:26125361
Park, Yu Rang; Yoon, Young Jo; Jang, Tae Hun; Seo, Hwa Jeong
2014-01-01
Objectives Extension of the standard model while retaining compliance with it is a challenging issue because there is currently no method for semantically or syntactically verifying an extended data model. A metadata-based extended model, named CCR+, was designed and implemented to achieve interoperability between standard and extended models. Methods Furthermore, a multilayered validation method was devised to validate the standard and extended models. The American Society for Testing and Materials (ASTM) Community Care Record (CCR) standard was selected to evaluate the CCR+ model; two CCR and one CCR+ XML files were evaluated. Results In total, 188 metadata were extracted from the ASTM CCR standard; these metadata are semantically interconnected and registered in the metadata registry. An extended-data-model-specific validation file was generated from these metadata. This file can be used in a smartphone application (Health Avatar CCR+) as a part of a multilayered validation. The new CCR+ model was successfully evaluated via a patient-centric exchange scenario involving multiple hospitals, with the results supporting both syntactic and semantic interoperability between the standard CCR and extended, CCR+, model. Conclusions A feasible method for delivering an extended model that complies with the standard model is presented herein. There is a great need to extend static standard models such as the ASTM CCR in various domains: the methods presented here represent an important reference for achieving interoperability between standard and extended models. PMID:24627817
NASA Astrophysics Data System (ADS)
Shore, Joel; Thurston, George
We discuss a model for a charge-patterning phase transition on a two-dimensional square lattice of titratable sites, here regarded as protonation sites, placed on a square lattice in a dielectric medium just below the planar interface between this medium and an aqueous salt solution. Within Debye-Huckel theory, the analytical form of the electrostatic repulsion between protonated sites exhibits an approximate inverse cubic power-law decrease beyond short distances. The problem can thus be mapped onto the two-dimensional antiferromagnetic Ising model with this longer-range interaction, which we study with Monte Carlo simulations. As we increase pH, the occupation probability of a site decreases from 1 at low pH to 0 at high pH. For sufficiently-strong interaction strengths, a phase transition occurs as the occupation probability of 1/2 is approached: the charges arrange themselves into a checkerboard pattern. This ordered phase persists over a range of pH until a transition occurs back to a disordered state. This state is the analogue of the Neel state in the antiferromagnetic Ising spin model. More complicated ordered phases are expected for sufficiently strong interactions (with occupation probabilities of 1/4 and 3/4) and if the lattice is triangular rather than square. This work was supported by NIH EY018249 (GMT).
Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; ...
2017-08-24
In this paper, we report a novel reductive desulfurization reaction involving π-acidic naphthalene diimides 1 (NDI) using thionating agents such as Lawesson’s reagent. Along with the expected thionated NDI derivatives 2-6, new heterocyclic naphtho-p-quinodimethane compounds 7 depicting broken/reduced symmetry were successfully isolated and fully characterized. Empirical studies and theoretical modeling suggest that was formed via a six-membered ring oxathiaphosphenine intermediate rather than the usual four-membered ring oxathiaphosphetane of 2-6. Aside from the reduced symmetry in 7 as confirmed by single-crystal XRD analysis, we established that the ground state UV-vis absorption of 7 is red-shifted in comparison to the parent NDImore » 1. This result was expected in the case of thionated polycyclic diimides. However, unusual low energy transitions originate from Baird 4nπ aromaticity of compounds 7 in lieu of the intrinsic Huckel (4n + 2)π aromaticity as encountered in NDI 1. Moreover, complementary theoretical modeling results also corroborate this change in aromaticity of 7. Consequently, photophysical investigations show that, compared to parent NDI 1, 7 can easily access and emit from its T 1 state with a phosphorescence 3(7a)* lifetime of τ P = 395 μs at 77 K indicative of the formation of the corresponding “aromatic triplet” species according to the Baird’s rule of aromaticity.« less
Fluctuation-enhanced electric conductivity in electrolyte solutions.
Péraud, Jean-Philippe; Nonaka, Andrew J; Bell, John B; Donev, Aleksandar; Garcia, Alejandro L
2017-10-10
We analyze the effects of an externally applied electric field on thermal fluctuations for a binary electrolyte fluid. We show that the fluctuating Poisson-Nernst-Planck (PNP) equations for charged multispecies diffusion coupled with the fluctuating fluid momentum equation result in enhanced charge transport via a mechanism distinct from the well-known enhancement of mass transport that accompanies giant fluctuations. Although the mass and charge transport occurs by advection by thermal velocity fluctuations, it can macroscopically be represented as electrodiffusion with renormalized electric conductivity and a nonzero cation-anion diffusion coefficient. Specifically, we predict a nonzero cation-anion Maxwell-Stefan coefficient proportional to the square root of the salt concentration, a prediction that agrees quantitatively with experimental measurements. The renormalized or effective macroscopic equations are different from the starting PNP equations, which contain no cross-diffusion terms, even for rather dilute binary electrolytes. At the same time, for infinitely dilute solutions the renormalized electric conductivity and renormalized diffusion coefficients are consistent and the classical PNP equations with renormalized coefficients are recovered, demonstrating the self-consistency of the fluctuating hydrodynamics equations. Our calculations show that the fluctuating hydrodynamics approach recovers the electrophoretic and relaxation corrections obtained by Debye-Huckel-Onsager theory, while elucidating the physical origins of these corrections and generalizing straightforwardly to more complex multispecies electrolytes. Finally, we show that strong applied electric fields result in anisotropically enhanced "giant" velocity fluctuations and reduced fluctuations of salt concentration.
NASA Technical Reports Server (NTRS)
Bhatia, A. K.; Sinha, C.
2012-01-01
The free-free transition is studied for an electron-hydrogen in the ground state at low incident energies in the presence of an external homogenous, monochromatic, and linearly polarized laser-field inside a hot dense plasma.The effect of plasma screening is considered in the Debye-Huckel approximation. The calculations are performed in the soft photon limit, assuming that the plasma frequency is much higher than the laser frequency. The incident electron is considered to be dressed by the laser field in a nonperturbative manner by choosing the Volkov solutions in both the initial and final channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the electron exchange. The laser-assisted differential and total cross sections are calculated for single-photon absorption /emission and no photon exchange in the soft photon limit, the laser intensity being much less than the atomic field intensity. The calculations have been carried out for various values of Debye parameter, ranging from 0.005 to 0.12. A strong suppression is noted in the laser-assisted cross sections as compared to the field-free situation. A significant difference is noted for the singlet and triplet cross sections. The suppression is much more in the triplet states.
Khair, Aditya S
2018-01-23
The deformation of the electric double layer around a charged colloidal particle during sedimentation or electrophoresis in a binary, symmetric electrolyte is studied. The surface potential of the particle is assumed to be small compared to the thermal voltage scale. Additionally, the Debye length is assumed to be large compared to the particle size. These assumptions enable a linearization of the electrokinetic equations. The particle appears as a point charge in this thick-double-layer limit; the distribution of charge in the diffuse cloud surrounding it is determined by a balance of advection due to the particle motion, Brownian diffusion of ions, and electrostatic screening of the particle by the cloud. The ability of advection to deform the charge cloud from its equilibrium state is parametrized by a Péclet number, Pe. For weak advection (Pe ≪ 1), the cloud is only slightly deformed. In contrast, the cloud can be completely stripped from the particle at Pe ≫ 1; consequently, electrokinetic effects on the particle motion vanish in this regime. Therefore, in sedimentation the drag limits to Stokes' law for an uncharged particle as Pe → ∞. Likewise, the particle velocity for electrophoresis approaches Huckel's result. The strongly deformed cloud at large Pe is predicted to generate a concomitant increase in the sedimentation field in a dilute settling suspension.
Wu, Rengmao; Hua, Hong
2016-01-01
Illumination design used to redistribute the spatial energy distribution of light source is a key technique in lighting applications. However, there is still no effective illumination design method for extended sources, especially for extended non-Lambertian sources. What we present here is to our knowledge the first direct method for extended non-Lambertian sources in three-dimensional (3D) rotational geometry. In this method, both meridional rays and skew rays of the extended source are taken into account to tailor the lens profile in the meridional plane. A set of edge rays and interior rays emitted from the extended source which will take a given direction after the refraction of the aspherical lens are found by the Snell’s law, and the output intensity at this direction is then calculated to be the integral of the luminance function of the outgoing rays at this direction. This direct method is effective for both extended non-Lambertian sources and extended Lambertian sources in 3D rotational symmetry, and can directly find a solution to the prescribed design problem without cumbersome iterative illuminance compensation. Two examples are presented to demonstrate the effectiveness of the proposed method in terms of performance and capacity for tackling complex designs. PMID:26832484
Calculation of transonic flows using an extended integral equation method
NASA Technical Reports Server (NTRS)
Nixon, D.
1976-01-01
An extended integral equation method for transonic flows is developed. In the extended integral equation method velocities in the flow field are calculated in addition to values on the aerofoil surface, in contrast with the less accurate 'standard' integral equation method in which only surface velocities are calculated. The results obtained for aerofoils in subcritical flow and in supercritical flow when shock waves are present compare satisfactorily with the results of recent finite difference methods.
Park, Yu Rang; Yoon, Young Jo; Jang, Tae Hun; Seo, Hwa Jeong; Kim, Ju Han
2014-01-01
Extension of the standard model while retaining compliance with it is a challenging issue because there is currently no method for semantically or syntactically verifying an extended data model. A metadata-based extended model, named CCR+, was designed and implemented to achieve interoperability between standard and extended models. Furthermore, a multilayered validation method was devised to validate the standard and extended models. The American Society for Testing and Materials (ASTM) Community Care Record (CCR) standard was selected to evaluate the CCR+ model; two CCR and one CCR+ XML files were evaluated. In total, 188 metadata were extracted from the ASTM CCR standard; these metadata are semantically interconnected and registered in the metadata registry. An extended-data-model-specific validation file was generated from these metadata. This file can be used in a smartphone application (Health Avatar CCR+) as a part of a multilayered validation. The new CCR+ model was successfully evaluated via a patient-centric exchange scenario involving multiple hospitals, with the results supporting both syntactic and semantic interoperability between the standard CCR and extended, CCR+, model. A feasible method for delivering an extended model that complies with the standard model is presented herein. There is a great need to extend static standard models such as the ASTM CCR in various domains: the methods presented here represent an important reference for achieving interoperability between standard and extended models.
Meng, Xiang-He; Shen, Hui; Chen, Xiang-Ding; Xiao, Hong-Mei; Deng, Hong-Wen
2018-03-01
Genome-wide association studies (GWAS) have successfully identified numerous genetic variants associated with diverse complex phenotypes and diseases, and provided tremendous opportunities for further analyses using summary association statistics. Recently, Pickrell et al. developed a robust method for causal inference using independent putative causal SNPs. However, this method may fail to infer the causal relationship between two phenotypes when only a limited number of independent putative causal SNPs identified. Here, we extended Pickrell's method to make it more applicable for the general situations. We extended the causal inference method by replacing the putative causal SNPs with the lead SNPs (the set of the most significant SNPs in each independent locus) and tested the performance of our extended method using both simulation and empirical data. Simulations suggested that when the same number of genetic variants is used, our extended method had similar distribution of test statistic under the null model as well as comparable power under the causal model compared with the original method by Pickrell et al. But in practice, our extended method would generally be more powerful because the number of independent lead SNPs was often larger than the number of independent putative causal SNPs. And including more SNPs, on the other hand, would not cause more false positives. By applying our extended method to summary statistics from GWAS for blood metabolites and femoral neck bone mineral density (FN-BMD), we successfully identified ten blood metabolites that may causally influence FN-BMD. We extended a causal inference method for inferring putative causal relationship between two phenotypes using summary statistics from GWAS, and identified a number of potential causal metabolites for FN-BMD, which may provide novel insights into the pathophysiological mechanisms underlying osteoporosis.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Shen; Kang, Wei, E-mail: weikang@pku.edu.cn; College of Engineering, Peking University, Beijing 100871
An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures ofmore » plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.« less
Single-view phase retrieval of an extended sample by exploiting edge detection and sparsity
Tripathi, Ashish; McNulty, Ian; Munson, Todd; ...
2016-10-14
We propose a new approach to robustly retrieve the exit wave of an extended sample from its coherent diffraction pattern by exploiting sparsity of the sample's edges. This approach enables imaging of an extended sample with a single view, without ptychography. We introduce nonlinear optimization methods that promote sparsity, and we derive update rules to robustly recover the sample's exit wave. We test these methods on simulated samples by varying the sparsity of the edge-detected representation of the exit wave. Finally, our tests illustrate the strengths and limitations of the proposed method in imaging extended samples.
Schramm, Catherine; Vial, Céline; Bachoud-Lévi, Anne-Catherine; Katsahian, Sandrine
2018-01-01
Heterogeneity in treatment efficacy is a major concern in clinical trials. Clustering may help to identify the treatment responders and the non-responders. In the context of longitudinal cluster analyses, sample size and variability of the times of measurements are the main issues with the current methods. Here, we propose a new two-step method for the Clustering of Longitudinal data by using an Extended Baseline. The first step relies on a piecewise linear mixed model for repeated measurements with a treatment-time interaction. The second step clusters the random predictions and considers several parametric (model-based) and non-parametric (partitioning, ascendant hierarchical clustering) algorithms. A simulation study compares all options of the clustering of longitudinal data by using an extended baseline method with the latent-class mixed model. The clustering of longitudinal data by using an extended baseline method with the two model-based algorithms was the more robust model. The clustering of longitudinal data by using an extended baseline method with all the non-parametric algorithms failed when there were unequal variances of treatment effect between clusters or when the subgroups had unbalanced sample sizes. The latent-class mixed model failed when the between-patients slope variability is high. Two real data sets on neurodegenerative disease and on obesity illustrate the clustering of longitudinal data by using an extended baseline method and show how clustering may help to identify the marker(s) of the treatment response. The application of the clustering of longitudinal data by using an extended baseline method in exploratory analysis as the first stage before setting up stratified designs can provide a better estimation of treatment effect in future clinical trials.
Extended Hansen solubility approach: naphthalene in individual solvents.
Martin, A; Wu, P L; Adjei, A; Beerbower, A; Prausnitz, J M
1981-11-01
A multiple regression method using Hansen partial solubility parameters, delta D, delta p, and delta H, was used to reproduce the solubilities of naphthalene in pure polar and nonpolar solvents and to predict its solubility in untested solvents. The method, called the extended Hansen approach, was compared with the extended Hildebrand solubility approach and the universal-functional-group-activity-coefficient (UNIFAC) method. The Hildebrand regular solution theory was also used to calculate naphthalene solubility. Naphthalene, an aromatic molecule having no side chains or functional groups, is "well-behaved', i.e., its solubility in active solvents known to interact with drug molecules is fairly regular. Because of its simplicity, naphthalene is a suitable solute with which to initiate the difficult study of solubility phenomena. The three methods tested (Hildebrand regular solution theory was introduced only for comparison of solubilities in regular solution) yielded similar results, reproducing naphthalene solubilities within approximately 30% of literature values. In some cases, however, the error was considerably greater. The UNIFAC calculation is superior in that it requires only the solute's heat of fusion, the melting point, and a knowledge of chemical structures of solute and solvent. The extended Hansen and extended Hildebrand methods need experimental solubility data on which to carry out regression analysis. The extended Hansen approach was the method of second choice because of its adaptability to solutes and solvents from various classes. Sample calculations are included to illustrate methods of predicting solubilities in untested solvents at various temperatures. The UNIFAC method was successful in this regard.
Accelerated in-vitro release testing methods for extended-release parenteral dosage forms.
Shen, Jie; Burgess, Diane J
2012-07-01
This review highlights current methods and strategies for accelerated in-vitro drug release testing of extended-release parenteral dosage forms such as polymeric microparticulate systems, lipid microparticulate systems, in-situ depot-forming systems and implants. Extended-release parenteral dosage forms are typically designed to maintain the effective drug concentration over periods of weeks, months or even years. Consequently, 'real-time' in-vitro release tests for these dosage forms are often run over a long time period. Accelerated in-vitro release methods can provide rapid evaluation and therefore are desirable for quality control purposes. To this end, different accelerated in-vitro release methods using United States Pharmacopeia (USP) apparatus have been developed. Different mechanisms of accelerating drug release from extended-release parenteral dosage forms, along with the accelerated in-vitro release testing methods currently employed are discussed. Accelerated in-vitro release testing methods with good discriminatory ability are critical for quality control of extended-release parenteral products. Methods that can be used in the development of in-vitro-in-vivo correlation (IVIVC) are desirable; however, for complex parenteral products this may not always be achievable. © 2012 The Authors. JPP © 2012 Royal Pharmaceutical Society.
Accelerated in vitro release testing methods for extended release parenteral dosage forms
Shen, Jie; Burgess, Diane J.
2012-01-01
Objectives This review highlights current methods and strategies for accelerated in vitro drug release testing of extended release parenteral dosage forms such as polymeric microparticulate systems, lipid microparticulate systems, in situ depot-forming systems, and implants. Key findings Extended release parenteral dosage forms are typically designed to maintain the effective drug concentration over periods of weeks, months or even years. Consequently, “real-time” in vitro release tests for these dosage forms are often run over a long time period. Accelerated in vitro release methods can provide rapid evaluation and therefore are desirable for quality control purposes. To this end, different accelerated in vitro release methods using United States Pharmacopoeia (USP) apparatus have been developed. Different mechanisms of accelerating drug release from extended release parenteral dosage forms, along with the accelerated in vitro release testing methods currently employed are discussed. Conclusions Accelerated in vitro release testing methods with good discriminatory ability are critical for quality control of extended release parenteral products. Methods that can be used in the development of in vitro-in vivo correlation (IVIVC) are desirable, however for complex parenteral products this may not always be achievable. PMID:22686344
Applications of singular value analysis and partial-step algorithm for nonlinear orbit determination
NASA Technical Reports Server (NTRS)
Ryne, Mark S.; Wang, Tseng-Chan
1991-01-01
An adaptive method in which cruise and nonlinear orbit determination problems can be solved using a single program is presented. It involves singular value decomposition augmented with an extended partial step algorithm. The extended partial step algorithm constrains the size of the correction to the spacecraft state and other solve-for parameters. The correction is controlled by an a priori covariance and a user-supplied bounds parameter. The extended partial step method is an extension of the update portion of the singular value decomposition algorithm. It thus preserves the numerical stability of the singular value decomposition method, while extending the region over which it converges. In linear cases, this method reduces to the singular value decomposition algorithm with the full rank solution. Two examples are presented to illustrate the method's utility.
Evidence-based practice: extending the search to find material for the systematic review
Helmer, Diane; Savoie, Isabelle; Green, Carolyn; Kazanjian, Arminée
2001-01-01
Background: Cochrane-style systematic reviews increasingly require the participation of librarians. Guidelines on the appropriate search strategy to use for systematic reviews have been proposed. However, research evidence supporting these recommendations is limited. Objective: This study investigates the effectiveness of various systematic search methods used to uncover randomized controlled trials (RCTs) for systematic reviews. Effectiveness is defined as the proportion of relevant material uncovered for the systematic review using extended systematic review search methods. The following extended systematic search methods are evaluated: searching subject-specific or specialized databases (including trial registries), hand searching, scanning reference lists, and communicating personally. Methods: Two systematic review projects were prospectively monitored regarding the method used to identify items as well as the type of items retrieved. The proportion of RCTs identified by each systematic search method was calculated. Results: The extended systematic search methods uncovered 29.2% of all items retrieved for the systematic reviews. The search of specialized databases was the most effective method, followed by scanning of reference lists, communicating personally, and hand searching. Although the number of items identified through hand searching was small, these unique items would otherwise have been missed. Conclusions: Extended systematic search methods are effective tools for uncovering material for the systematic review. The quality of the items uncovered has yet to be assessed and will be key in evaluating the value of the systematic search methods. PMID:11837256
The Utility of the Extended Images in Ambient Seismic Wavefield Migration
NASA Astrophysics Data System (ADS)
Girard, A. J.; Shragge, J. C.
2015-12-01
Active-source 3D seismic migration and migration velocity analysis (MVA) are robust and highly used methods for imaging Earth structure. One class of migration methods uses extended images constructed by incorporating spatial and/or temporal wavefield correlation lags to the imaging conditions. These extended images allow users to directly assess whether images focus better with different parameters, which leads to MVA techniques that are based on the tenets of adjoint-state theory. Under certain conditions (e.g., geographical, cultural or financial), however, active-source methods can prove impractical. Utilizing ambient seismic energy that naturally propagates through the Earth is an alternate method currently used in the scientific community. Thus, an open question is whether extended images are similarly useful for ambient seismic migration processing and verifying subsurface velocity models, and whether one can similarly apply adjoint-state methods to perform ambient migration velocity analysis (AMVA). Herein, we conduct a number of numerical experiments that construct extended images from ambient seismic recordings. We demonstrate that, similar to active-source methods, there is a sensitivity to velocity in ambient seismic recordings in the migrated extended image domain. In synthetic ambient imaging tests with varying degrees of error introduced to the velocity model, the extended images are sensitive to velocity model errors. To determine the extent of this sensitivity, we utilize acoustic wave-equation propagation and cross-correlation-based migration methods to image weak body-wave signals present in the recordings. Importantly, we have also observed scenarios where non-zero correlation lags show signal while zero-lags show none. This may be a valuable missing piece for ambient migration techniques that have yielded largely inconclusive results, and might be an important piece of information for performing AMVA from ambient seismic recordings.
Performance analysis of FET microwave devices by use of extended spectral-element time-domain method
NASA Astrophysics Data System (ADS)
Sheng, Yijun; Xu, Kan; Wang, Daoxiang; Chen, Rushan
2013-05-01
The extended spectral-element time-domain (SETD) method is employed to analyse field effect transistor (FET) microwave devices. In order to impose the contribution of the FET microwave devices into the electromagnetic simulation, the SETD method is extended by introducing a lumped current term into the vector Helmholtz equation. The change of currents on each lumped component can be expressed by the change of voltage via corresponding models of equivalent circuit. The electric fields around the lumped component must be influenced by the change of voltage on each lumped component, and vice versa. So a global coupling about the EM-circuit can be built directly. The fully explicit solving scheme is maintained in this extended SETD method and the CPU time can be saved spontaneously. Three practical FET microwave devices are analysed in this article. The numerical results demonstrate the ability and accuracy of this method.
NASA Astrophysics Data System (ADS)
Minatour, Yasser; Bonakdari, Hossein; Zarghami, Mahdi; Bakhshi, Maryam Ali
2015-09-01
The purpose of this study was to develop a group fuzzy multi-criteria decision-making method to be applied in rating problems associated with water resources management. Thus, here Chen's group fuzzy TOPSIS method extended by a difference technique to handle uncertainties of applying a group decision making. Then, the extended group fuzzy TOPSIS method combined with a consistency check. In the presented method, initially linguistic judgments are being surveyed via a consistency checking process, and afterward these judgments are being used in the extended Chen's fuzzy TOPSIS method. Here, each expert's opinion is turned to accurate mathematical numbers and, then, to apply uncertainties, the opinions of group are turned to fuzzy numbers using three mathematical operators. The proposed method is applied to select the optimal strategy for the rural water supply of Nohoor village in north-eastern Iran, as a case study and illustrated example. Sensitivity analyses test over results and comparing results with project reality showed that proposed method offered good results for water resources projects.
Optimal electromagnetic energy transmission and real-time dissipation in extended media.
Glasgow, S; Ware, M
2014-02-24
Pulse reshaping effects that give rise to fast and slow light phenomena are inextricably linked to the dynamics of energy exchange between the pulse and the propagation medium. Energy that is dissipated from the pulse can no longer participate in this exchange process, but previous methods of calculating real-time dissipation are not valid for extended propagation media. We present a method for calculating real-time dissipation that is valid for electromagnetic pulse propagation in extended media. This method allows one to divide the energy stored in an extended medium into the portion that can be later transmitted out of the medium, and that portion which must be lost to either dissipation or reflection.
NASA Technical Reports Server (NTRS)
Zeleznik, Frank J.; Gordon, Sanford
1960-01-01
The Brinkley, Huff, and White methods for chemical-equilibrium calculations were modified and extended in order to permit an analytical comparison. The extended forms of these methods permit condensed species as reaction products, include temperature as a variable in the iteration, and permit arbitrary estimates for the variables. It is analytically shown that the three extended methods can be placed in a form that is independent of components. In this form the Brinkley iteration is identical computationally to the White method, while the modified Huff method differs only'slightly from these two. The convergence rates of the modified Brinkley and White methods are identical; and, further, all three methods are guaranteed to converge and will ultimately converge quadratically. It is concluded that no one of the three methods offers any significant computational advantages over the other two.
Fertility response of artificial insemination methods in sheep with fresh and frozen-thawed semen.
Masoudi, Reza; Zare Shahneh, Ahmad; Towhidi, Armin; Kohram, Hamid; Akbarisharif, Abbas; Sharafi, Mohsen
2017-02-01
The aim of this study was to evaluate the fertility response of artificial insemination (AI) methods with fresh and frozen sperm in sheep. In experiment 1, one hundred and fifty fat tailed Zandi ewes were assigned into 3 equal groups and inseminated with three AI methods consisting of vaginal, laparoscopic and trans-cervical AI with fresh semen. In experiment 2, a factorial study (3 AI methods × 2 extenders) was used to analyze the effects of three AI methods and two freezing extenders containing soybean lecithin (SL) or Egg yolk (EY) on reproductive performance of 300 fat tailed Zandi ewes. Also, total motility, progressive motility, viability and lipid peroxidation of semen were evaluated after freeze-thawing in two extenders. In result, there was no significant difference among three AI methods when fresh semen was used. In experiment 2, the highest percentage of pregnancy rate, parturition rate and lambing rate were obtained in laparoscopic AI group (P < 0.05). Although pregnancy rate, parturition rate and lambing rate in trans-cervical group were higher (P < 0.05) than vaginal group, the results were not as high as laparoscopic group. No difference was observed between SL and EY extenders and their performance was close to each other. It can be concluded that although no difference was observed on reproductive performance for fresh semen, trans-cervical AI was more efficient than vaginal method when frozen-thawed semen was used, but its efficiency was not as high as laparoscopic method. Also, SL extender can be an efficient alternative extender to preserve ram sperm during cryopreservation procedure without adverse effects of EY. Copyright © 2016. Published by Elsevier Inc.
NASA Astrophysics Data System (ADS)
Fu, Lin; Hu, Xiangyu Y.; Adams, Nikolaus A.
2017-12-01
We propose efficient single-step formulations for reinitialization and extending algorithms, which are critical components of level-set based interface-tracking methods. The level-set field is reinitialized with a single-step (non iterative) "forward tracing" algorithm. A minimum set of cells is defined that describes the interface, and reinitialization employs only data from these cells. Fluid states are extrapolated or extended across the interface by a single-step "backward tracing" algorithm. Both algorithms, which are motivated by analogy to ray-tracing, avoid multiple block-boundary data exchanges that are inevitable for iterative reinitialization and extending approaches within a parallel-computing environment. The single-step algorithms are combined with a multi-resolution conservative sharp-interface method and validated by a wide range of benchmark test cases. We demonstrate that the proposed reinitialization method achieves second-order accuracy in conserving the volume of each phase. The interface location is invariant to reapplication of the single-step reinitialization. Generally, we observe smaller absolute errors than for standard iterative reinitialization on the same grid. The computational efficiency is higher than for the standard and typical high-order iterative reinitialization methods. We observe a 2- to 6-times efficiency improvement over the standard method for serial execution. The proposed single-step extending algorithm, which is commonly employed for assigning data to ghost cells with ghost-fluid or conservative interface interaction methods, shows about 10-times efficiency improvement over the standard method while maintaining same accuracy. Despite their simplicity, the proposed algorithms offer an efficient and robust alternative to iterative reinitialization and extending methods for level-set based multi-phase simulations.
Three-dimensional Stress Analysis Using the Boundary Element Method
NASA Technical Reports Server (NTRS)
Wilson, R. B.; Banerjee, P. K.
1984-01-01
The boundary element method is to be extended (as part of the NASA Inelastic Analysis Methods program) to the three-dimensional stress analysis of gas turbine engine hot section components. The analytical basis of the method (as developed in elasticity) is outlined, its numerical implementation is summarized, and the approaches to be followed in extending the method to include inelastic material response indicated.
Three-stage Fabry-Perot liquid crystal tunable filter with extended spectral range.
Zheng, Zhenrong; Yang, Guowei; Li, Haifeng; Liu, Xu
2011-01-31
A method to extend spectral range of tunable optical filter is proposed in this paper. Two same tunable Fabry-Perot filters and an additional tunable filter with different free spectral range are cascaded to extend spectral range and reduce sidelobes. Over 400 nm of free spectral range and 4 nm of full width at half maximum of the filter were achieved. Design procedure and simulation are described in detail. An experimental 3-stage tunable Fabry-Perot filter with visible and infrared spectra is demonstrated. The experimental results and the theoretical analysis are presented in detail to verify this method. The results revealed that a compact and extended tunable spectral range of Fabry-Perot filter can be easily attainable by this method.
On implementation of the extended interior penalty function. [optimum structural design
NASA Technical Reports Server (NTRS)
Cassis, J. H.; Schmit, L. A., Jr.
1976-01-01
The extended interior penalty function formulation is implemented. A rational method for determining the transition between the interior and extended parts is set forth. The formulation includes a straightforward method for avoiding design points with some negative components, which are physically meaningless in structural analysis. The technique, when extended to problems involving parametric constraints, can facilitate closed form integration of the penalty terms over the most important parts of the parameter interval. The method lends itself well to the use of approximation concepts, such as design variable linking, constraint deletion and Taylor series expansions of response quantities in terms of design variables. Examples demonstrating the algorithm, in the context of planar orthogonal frames subjected to ground motion, are included.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tripathi, Ashish; McNulty, Ian; Munson, Todd
We propose a new approach to robustly retrieve the exit wave of an extended sample from its coherent diffraction pattern by exploiting sparsity of the sample's edges. This approach enables imaging of an extended sample with a single view, without ptychography. We introduce nonlinear optimization methods that promote sparsity, and we derive update rules to robustly recover the sample's exit wave. We test these methods on simulated samples by varying the sparsity of the edge-detected representation of the exit wave. Finally, our tests illustrate the strengths and limitations of the proposed method in imaging extended samples.
Extending the Peak Bandwidth of Parameters for Softmax Selection in Reinforcement Learning.
Iwata, Kazunori
2016-05-11
Softmax selection is one of the most popular methods for action selection in reinforcement learning. Although various recently proposed methods may be more effective with full parameter tuning, implementing a complicated method that requires the tuning of many parameters can be difficult. Thus, softmax selection is still worth revisiting, considering the cost savings of its implementation and tuning. In fact, this method works adequately in practice with only one parameter appropriately set for the environment. The aim of this paper is to improve the variable setting of this method to extend the bandwidth of good parameters, thereby reducing the cost of implementation and parameter tuning. To achieve this, we take advantage of the asymptotic equipartition property in a Markov decision process to extend the peak bandwidth of softmax selection. Using a variety of episodic tasks, we show that our setting is effective in extending the bandwidth and that it yields a better policy in terms of stability. The bandwidth is quantitatively assessed in a series of statistical tests.
NASA Astrophysics Data System (ADS)
Tan, Jun; Song, Peng; Li, Jinshan; Wang, Lei; Zhong, Mengxuan; Zhang, Xiaobo
2017-06-01
The surface-related multiple elimination (SRME) method is based on feedback formulation and has become one of the most preferred multiple suppression methods used. However, some differences are apparent between the predicted multiples and those in the source seismic records, which may result in conventional adaptive multiple subtraction methods being barely able to effectively suppress multiples in actual production. This paper introduces a combined adaptive multiple attenuation method based on the optimized event tracing technique and extended Wiener filtering. The method firstly uses multiple records predicted by SRME to generate a multiple velocity spectrum, then separates the original record to an approximate primary record and an approximate multiple record by applying the optimized event tracing method and short-time window FK filtering method. After applying the extended Wiener filtering method, residual multiples in the approximate primary record can then be eliminated and the damaged primary can be restored from the approximate multiple record. This method combines the advantages of multiple elimination based on the optimized event tracing method and the extended Wiener filtering technique. It is an ideal method for suppressing typical hyperbolic and other types of multiples, with the advantage of minimizing damage of the primary. Synthetic and field data tests show that this method produces better multiple elimination results than the traditional multi-channel Wiener filter method and is more suitable for multiple elimination in complicated geological areas.
Q-Method Extended Kalman Filter
NASA Technical Reports Server (NTRS)
Zanetti, Renato; Ainscough, Thomas; Christian, John; Spanos, Pol D.
2012-01-01
A new algorithm is proposed that smoothly integrates non-linear estimation of the attitude quaternion using Davenport s q-method and estimation of non-attitude states through an extended Kalman filter. The new method is compared to a similar existing algorithm showing its similarities and differences. The validity of the proposed approach is confirmed through numerical simulations.
Zhang, Jialin; Li, Xiuhong; Yang, Rongjin; Liu, Qiang; Zhao, Long; Dou, Baocheng
2017-01-01
In the practice of interpolating near-surface soil moisture measured by a wireless sensor network (WSN) grid, traditional Kriging methods with auxiliary variables, such as Co-kriging and Kriging with external drift (KED), cannot achieve satisfactory results because of the heterogeneity of soil moisture and its low correlation with the auxiliary variables. This study developed an Extended Kriging method to interpolate with the aid of remote sensing images. The underlying idea is to extend the traditional Kriging by introducing spectral variables, and operating on spatial and spectral combined space. The algorithm has been applied to WSN-measured soil moisture data in HiWATER campaign to generate daily maps from 10 June to 15 July 2012. For comparison, three traditional Kriging methods are applied: Ordinary Kriging (OK), which used WSN data only, Co-kriging and KED, both of which integrated remote sensing data as covariate. Visual inspections indicate that the result from Extended Kriging shows more spatial details than that of OK, Co-kriging, and KED. The Root Mean Square Error (RMSE) of Extended Kriging was found to be the smallest among the four interpolation results. This indicates that the proposed method has advantages in combining remote sensing information and ground measurements in soil moisture interpolation. PMID:28617351
NASA Astrophysics Data System (ADS)
Malisza, Krisztina Laura
Sterically crowded organometallic complexes present fascinating problems of structure and molecular dynamics. Tetrahedral clusters such as (RCequivCR ^')rm(C_5H_5)_2M _2(CO)_4, where M = Mo or W, crystallize in conformations possessing three terminal carbonyls while the fourth is semi-bridging. However, these ligands undergo a rapid exchange process which can be followed by variable -temperature NMR spectroscopy. When the R substituent is derived from a chiral natural product, the low temperature NMR spectra reveal the presence of diastereomers which are interconvertible via rotations of the organometallic vertices. The fluxional behaviour of tetrahedral clusters containing such vertices as Co(CO)_3, Fe(CO)_3 or rm(C_5H _5)Mo(CO)_2 can be rationalized by means of molecular orbital calculations at the extended Huckel level of approximation. These studies show that the barriers to vertex rotation can usually be traced to one principal orbital interaction in each case. However, in rm(C_5H_5)_2Mo_2(CO) _4(R-CequivC-R) clusters, the barriers are primarily steric in character. The ability of transition metal clusters to delocalize electronic charge is well known and, in principle, could be used to stabilize intermediates of biochemical significance. Treatment of 2-methylcyclopentanone with an alkyne anion was carried out in order to generate 1-alkynyl-2-methylcyclopentanols in which the methyl and alkynyl groups are trans diaxial; the aim was to mimic the "D"-ring of the steroidal contraceptive mestranol. In fact, the major epimer was the one in which the methyl and alkynyl substituents were disposed in a cis manner. The conformation of 2-methyl-1-phenylethynylcyclopentanol 47 was elucidated by two-dimensional NMR techniques. Moreover, the structure of 47 and also of its rm Co _2(CO)_6 derivative have been determined crystallographically. Protonation of the dicobalt or dimolybdenum complexes of 47 lead to stable cations; treatment of these cations with nucleophiles results in elimination of water to yield 2-methylcyclopentene derivatives of which the dimolybdenum cluster has been characterized by x-ray crystallography. The sterically crowded complexes rm(C _6H_5)_3SiOH[ Cr(CO)_3 ]_{n}, where n = 1,2,3, have also been characterized X-ray crystallographically and all three have propellor-type geometries. The question of whether the phenyl ring rotations are correlated has been studied by variable-temperature NMR spectroscopy. These systems do not yield stable silicenium cations, but the analogous Cr(CO)_3 complex of triphenylcarbinol not only shows fluxional behaviour but also yields a metal -stabilized cation. The pathway for phenyl rotations in such systems can be followed via a Dunitz-type trajectory approach in which a number of x-ray structures were analyzed.
Wu, Rengmao; Hua, Hong; Benítez, Pablo; Miñano, Juan C.; Liang, Rongguang
2016-01-01
The energy efficiency and compactness of an illumination system are two main concerns in illumination design for extended sources. In this paper, we present two methods to design compact, ultra efficient aspherical lenses for extended Lambertian sources in two-dimensional geometry. The light rays are directed by using two aspherical surfaces in the first method and one aspherical surface along with an optimized parabola in the second method. The principles and procedures of each design method are introduced in detail. Three examples are presented to demonstrate the effectiveness of these two methods in terms of performance and capacity in designing compact, ultra efficient aspherical lenses. The comparisons made between the two proposed methods indicate that the second method is much simpler and easier to be implemented, and has an excellent extensibility to three-dimensional designs. PMID:29092336
Pfeiffer, Valentin; Barbeau, Benoit
2014-02-01
Despite its shortcomings, the T10 method introduced by the United States Environmental Protection Agency (USEPA) in 1989 is currently the method most frequently used in North America to calculate disinfection performance. Other methods (e.g., the Integrated Disinfection Design Framework, IDDF) have been advanced as replacements, and more recently, the USEPA suggested the Extended T10 and Extended CSTR (Continuous Stirred-Tank Reactor) methods to improve the inactivation calculations within ozone contactors. To develop a method that fully considers the hydraulic behavior of the contactor, two models (Plug Flow with Dispersion and N-CSTR) were successfully fitted with five tracer tests results derived from four Water Treatment Plants and a pilot-scale contactor. A new method based on the N-CSTR model was defined as the Partially Segregated (Pseg) method. The predictions from all the methods mentioned were compared under conditions of poor and good hydraulic performance, low and high disinfectant decay, and different levels of inactivation. These methods were also compared with experimental results from a chlorine pilot-scale contactor used for Escherichia coli inactivation. The T10 and Extended T10 methods led to large over- and under-estimations. The Segregated Flow Analysis (used in the IDDF) also considerably overestimated the inactivation under high disinfectant decay. Only the Extended CSTR and Pseg methods produced realistic and conservative predictions in all cases. Finally, a simple implementation procedure of the Pseg method was suggested for calculation of disinfection performance. Copyright © 2013 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Qian, Tingting; Wang, Lianlian; Lu, Guanghua
2017-07-01
Radar correlated imaging (RCI) introduces the optical correlated imaging technology to traditional microwave imaging, which has raised widespread concern recently. Conventional RCI methods neglect the structural information of complex extended target, which makes the quality of recovery result not really perfect, thus a novel combination of negative exponential restraint and total variation (NER-TV) algorithm for extended target imaging is proposed in this paper. The sparsity is measured by a sequential order one negative exponential function, then the 2D total variation technique is introduced to design a novel optimization problem for extended target imaging. And the proven alternating direction method of multipliers is applied to solve the new problem. Experimental results show that the proposed algorithm could realize high resolution imaging efficiently for extended target.
Allison, Stuart A; Xin, Yao
2005-08-15
A boundary element (BE) procedure is developed to numerically calculate the electrophoretic mobility of highly charged, rigid model macroions in the thin double layer regime based on the continuum primitive model. The procedure is based on that of O'Brien (R.W. O'Brien, J. Colloid Interface Sci. 92 (1983) 204). The advantage of the present procedure over existing BE methodologies that are applicable to rigid model macroions in general (S. Allison, Macromolecules 29 (1996) 7391) is that computationally time consuming integrations over a large number of volume elements that surround the model particle are completely avoided. The procedure is tested by comparing the mobilities derived from it with independent theory of the mobility of spheres of radius a in a salt solution with Debye-Huckel screening parameter, kappa. The procedure is shown to yield accurate mobilities provided (kappa)a exceeds approximately 50. The methodology is most relevant to model macroions of mean linear dimension, L, with 1000>(kappa)L>100 and reduced absolute zeta potential (q|zeta|/k(B)T) greater than 1.0. The procedure is then applied to the compact form of high molecular weight, duplex DNA that is formed in the presence of the trivalent counterion, spermidine, under low salt conditions. For T4 DNA (166,000 base pairs), the compact form is modeled as a sphere (diameter=600 nm) and as a toroid (largest linear dimension=600 nm). In order to reconcile experimental and model mobilities, approximately 95% of the DNA phosphates must be neutralized by bound counterions. This interpretation, based on electrokinetics, is consistent with independent studies.
Extension of Nikiforov-Uvarov method for the solution of Heun equation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Karayer, H., E-mail: hale.karayer@gmail.com; Demirhan, D.; Büyükkılıç, F.
2015-06-15
We report an alternative method to solve second order differential equations which have at most four singular points. This method is developed by changing the degrees of the polynomials in the basic equation of Nikiforov-Uvarov (NU) method. This is called extended NU method for this paper. The eigenvalue solutions of Heun equation and confluent Heun equation are obtained via extended NU method. Some quantum mechanical problems such as Coulomb problem on a 3-sphere, two Coulombically repelling electrons on a sphere, and hyperbolic double-well potential are investigated by this method.
Liu, Zeliang; Moore, John A.; Liu, Wing Kam
2016-05-03
Inclusions comprised on filler particles and interphase regions commonly form complex morphologies in polymer nanocomposites. Addressing these morphologies as systems of overlapping simple shapes allows for the study of dilute particles, clustered particles, and interacting interphases all in one general modeling framework. To account for the material properties in these overlapping geometries, weighted-mean and additive overlapping conditions are introduced and the corresponding inclusion-wise integral equations are formulated. An extended micromechanics method based on these overlapping conditions for linear elastic and viscoelastic heterogeneous material is then developed. An important feature of the proposed approach is that the effect of both themore » geometric overlapping (clustered particles) and physical overlapping (interacting interphases) on the effective properties can be distinguished. Lastly, we apply the extended micromechanics method to a viscoelastic polymer nanocomposite with interphase regions, and estimate the properties and thickness of the interphase region based on experimental data for carbon-black filled styrene butadiene rubbers.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, Zeliang; Moore, John A.; Liu, Wing Kam
Inclusions comprised on filler particles and interphase regions commonly form complex morphologies in polymer nanocomposites. Addressing these morphologies as systems of overlapping simple shapes allows for the study of dilute particles, clustered particles, and interacting interphases all in one general modeling framework. To account for the material properties in these overlapping geometries, weighted-mean and additive overlapping conditions are introduced and the corresponding inclusion-wise integral equations are formulated. An extended micromechanics method based on these overlapping conditions for linear elastic and viscoelastic heterogeneous material is then developed. An important feature of the proposed approach is that the effect of both themore » geometric overlapping (clustered particles) and physical overlapping (interacting interphases) on the effective properties can be distinguished. Lastly, we apply the extended micromechanics method to a viscoelastic polymer nanocomposite with interphase regions, and estimate the properties and thickness of the interphase region based on experimental data for carbon-black filled styrene butadiene rubbers.« less
Role of hydrodynamic interactions in dynamics of semi-flexible polyelectrolytes
NASA Astrophysics Data System (ADS)
Kekre, Rahul
Experiments have shown that DNA molecules in capillary electrophoresis migrate across field lines if a pressure gradient is applied simultaneously. We suggest that this migration results from an electrically driven flow field around the polyelectrolyte, which generates additional contributions to the center-of-mass velocity if the overall polymer conformation is asymmetric. Numerical simulations and experiments have demonstrated that confined polymers migrate towards the center of the channel in response to both external forces and uniaxial flows. Yet, migration towards the walls has been observed with combinations of external force and flow. In this work, the kinetic theory for an elastic dumbbell developed by Ma and Graham [Phys. Fluids 17, 083103 (2005)] has been extended to account for the effects of an external body force. Further modifications account for counterion screening within a Debye-Huckel approximation for the specific case of applied electric field. The theory qualitatively reproduces results of both experiments for the migration of neutral polymers and polyelectrolytes. The favorable comparison supports the contention [Long et al., Phys. Rev. Lett. 76, 3858 (1996)] that the hydrodynamic interactions in polyelectrolytes decay algebraically, as 1/r 3, rather than exponentially. A coarse-grained polymer model, without explicit charges, is developed and integrated using Brownian-dynamics simulations in analogy with the kinetic theory. The novel feature of the simulations is the inclusion of hydrodynamic interactions induced by the electric field. This model quantitatively captures experimental observations [Zheng and Yeung, Anal. Chem. 75, 3675 (2003)] of DNA migration under combined electric and pressure-driven flow fields in absence of any adjusted parameters. In addition the model predicts dependence of electrophoretic velocity on the instantaneous length of the polyelectrolyte which has been verified by experiments of Lee et. al. [Electrophoresis 31, 2813 (2010)]. The model also predicts phenomenons that are yet to be verified experimentally. These include decrease in diffusivity and increase in radius of gyration of the polyelectrolyte in high electric fields due to internal dispersion. The resulting change in orientation distribution at high electric fields decreases the extent of migration. Preliminary results from microfluidic experiments are presented in this dissertation demonstrating the saturation of migration. This dissertation also includes comparison of results from lattice-Boltzmann and Brownian dynamics simulations of a linear bead-spring model of DNA for two cases; infinite dilution and confinement. We have systematically varied the parameters that may affect the accuracy of the lattice-Boltzmann simulations, including grid resolution, temperature, polymer mass, periodic boundary size and fluid viscosity. For the case of a single chain Lattice-Boltzmann results for the diffusion coefficient and Rouse mode relaxation times were within 1--2% from those obtained from Brownian-dynamics. Results from both methods are also compared for polymer migration in confined flows driven by a uniform shear or pressure gradient. Center-of-mass distribution obtained from Lattice-Boltzmann simulations agrees quantitatively with Brownian-dynamics results, contradicting previously published results. The mobility matrix for a confined polymer was derived by applying Faxen's correction to the flow-field generated by a point force bounded by two parallel plates. This formulation of the mobility matrix is symmetric and positive-definite for all physically accessible configurations of the polymer.
Incorporating profile information in community detection for online social networks
NASA Astrophysics Data System (ADS)
Fan, W.; Yeung, K. H.
2014-07-01
Community structure is an important feature in the study of complex networks. It is because nodes of the same community may have similar properties. In this paper we extend two popular community detection methods to partition online social networks. In our extended methods, the profile information of users is used for partitioning. We apply the extended methods in several sample networks of Facebook. Compared with the original methods, the community structures we obtain have higher modularity. Our results indicate that users' profile information is consistent with the community structure of their friendship network to some extent. To the best of our knowledge, this paper is the first to discuss how profile information can be used to improve community detection in online social networks.
Interior micro-CT with an offset detector
Sharma, Kriti Sen; Gong, Hao; Ghasemalizadeh, Omid; Yu, Hengyong; Wang, Ge; Cao, Guohua
2014-01-01
Purpose: The size of field-of-view (FOV) of a microcomputed tomography (CT) system can be increased by offsetting the detector. The increased FOV is beneficial in many applications. All prior investigations, however, have been focused to the case in which the increased FOV after offset-detector acquisition can cover the transaxial extent of an object fully. Here, the authors studied a new problem where the FOV of a micro-CT system, although increased after offset-detector acquisition, still covers an interior region-of-interest (ROI) within the object. Methods: An interior-ROI-oriented micro-CT scan with an offset detector poses a difficult reconstruction problem, which is caused by both detector offset and projection truncation. Using the projection completion techniques, the authors first extended three previous reconstruction methods from offset-detector micro-CT to offset-detector interior micro-CT. The authors then proposed a novel method which combines two of the extended methods using a frequency split technique. The authors tested the four methods with phantom simulations at 9.4%, 18.8%, 28.2%, and 37.6% detector offset. The authors also applied these methods to physical phantom datasets acquired at the same amounts of detector offset from a customized micro-CT system. Results: When the detector offset was small, all reconstruction methods showed good image quality. At large detector offset, the three extended methods gave either visible shading artifacts or high deviation of pixel value, while the authors’ proposed method demonstrated no visible artifacts and minimal deviation of pixel value in both the numerical simulations and physical experiments. Conclusions: For an interior micro-CT with an offset detector, the three extended reconstruction methods can perform well at a small detector offset but show strong artifacts at a large detector offset. When the detector offset is large, the authors’ proposed reconstruction method can outperform the three extended reconstruction methods by suppressing artifacts and maintaining pixel values. PMID:24877826
Lidar method to estimate emission rates from extended sources
USDA-ARS?s Scientific Manuscript database
Currently, point measurements, often combined with models, are the primary means by which atmospheric emission rates are estimated from extended sources. However, these methods often fall short in their spatial and temporal resolution and accuracy. In recent years, lidar has emerged as a suitable to...
Estimating V̄s(30) (or NEHRP site classes) from shallow velocity models (depths < 30 m)
Boore, David M.
2004-01-01
The average velocity to 30 m [V??s(30)] is a widely used parameter for classifying sites to predict their potential to amplify seismic shaking. In many cases, however, models of shallow shear-wave velocities, from which V??s(30) can be computed, do not extend to 30 m. If the data for these cases are to be used, some method of extrapolating the velocities must be devised. Four methods for doing this are described here and are illustrated using data from 135 boreholes in California for which the velocity model extends to at least 30 m. Methods using correlations between shallow velocity and V??s(30) result in significantly less bias for shallow models than the simplest method of assuming that the lowermost velocity extends to 30 m. In addition, for all methods the percent of sites misclassified is generally less than 10% and falls to negligible values for velocity models extending to at least 25 m. Although the methods using correlations do a better job on average of estimating V??s(30), the simplest method will generally result in a lower value of V??s(30) and thus yield a more conservative estimate of ground motion [which generally increases as V??s(30) decreases].
A fictitious domain approach for the Stokes problem based on the extended finite element method
NASA Astrophysics Data System (ADS)
Court, Sébastien; Fournié, Michel; Lozinski, Alexei
2014-01-01
In the present work, we propose to extend to the Stokes problem a fictitious domain approach inspired by eXtended Finite Element Method and studied for Poisson problem in [Renard]. The method allows computations in domains whose boundaries do not match. A mixed finite element method is used for fluid flow. The interface between the fluid and the structure is localized by a level-set function. Dirichlet boundary conditions are taken into account using Lagrange multiplier. A stabilization term is introduced to improve the approximation of the normal trace of the Cauchy stress tensor at the interface and avoid the inf-sup condition between the spaces for velocity and the Lagrange multiplier. Convergence analysis is given and several numerical tests are performed to illustrate the capabilities of the method.
Shim, Jongmyeong; Park, Changsu; Lee, Jinhyung; Kang, Shinill
2016-08-08
Recently, studies have examined techniques for modeling the light distribution of light-emitting diodes (LEDs) for various applications owing to their low power consumption, longevity, and light weight. The energy mapping technique, a design method that matches the energy distributions of an LED light source and target area, has been the focus of active research because of its design efficiency and accuracy. However, these studies have not considered the effects of the emitting area of the LED source. Therefore, there are limitations to the design accuracy for small, high-power applications with a short distance between the light source and optical system. A design method for compensating for the light distribution of an extended source after the initial optics design based on a point source was proposed to overcome such limits, but its time-consuming process and limited design accuracy with multiple iterations raised the need for a new design method that considers an extended source in the initial design stage. This study proposed a method for designing discrete planar optics that controls the light distribution and minimizes the optical loss with an extended source and verified the proposed method experimentally. First, the extended source was modeled theoretically, and a design method for discrete planar optics with the optimum groove angle through energy mapping was proposed. To verify the design method, design for the discrete planar optics was achieved for applications in illumination for LED flash. In addition, discrete planar optics for LED illuminance were designed and fabricated to create a uniform illuminance distribution. Optical characterization of these structures showed that the design was optimal; i.e., we plotted the optical losses as a function of the groove angle, and found a clear minimum. Simulations and measurements showed that an efficient optical design was achieved for an extended source.
Lean-rich axial stage combustion in a can-annular gas turbine engine
DOE Office of Scientific and Technical Information (OSTI.GOV)
Laster, Walter R.; Szedlacsek, Peter
2016-06-14
An apparatus and method for lean/rich combustion in a gas turbine engine (10), which includes a combustor (12), a transition (14) and a combustor extender (16) that is positioned between the combustor (12) and the transition (14) to connect the combustor (12) to the transition (14). Openings (18) are formed along an outer surface (20) of the combustor extender (16). The gas turbine (10) also includes a fuel manifold (28) to extend along the outer surface (20) of the combustor extender (16), with fuel nozzles (30) to align with the respective openings (18). A method (200) for axial stage combustionmore » in the gas turbine engine (10) is also presented.« less
Zhang, Lei; Zeng, Zhi; Ji, Qiang
2011-09-01
Chain graph (CG) is a hybrid probabilistic graphical model (PGM) capable of modeling heterogeneous relationships among random variables. So far, however, its application in image and video analysis is very limited due to lack of principled learning and inference methods for a CG of general topology. To overcome this limitation, we introduce methods to extend the conventional chain-like CG model to CG model with more general topology and the associated methods for learning and inference in such a general CG model. Specifically, we propose techniques to systematically construct a generally structured CG, to parameterize this model, to derive its joint probability distribution, to perform joint parameter learning, and to perform probabilistic inference in this model. To demonstrate the utility of such an extended CG, we apply it to two challenging image and video analysis problems: human activity recognition and image segmentation. The experimental results show improved performance of the extended CG model over the conventional directed or undirected PGMs. This study demonstrates the promise of the extended CG for effective modeling and inference of complex real-world problems.
Documents, Dialogue and the Emergence of Tertiary Orality
ERIC Educational Resources Information Center
Turner, Deborah; Allen, Warren
2013-01-01
Introduction: This investigation opens with a description of why studying non-traditional, oral documents can inform efforts to extend traditional library and information science practices, of description, storage, and retrieval, to artefacts made available through emerging media. Method: This study extends the method used to identify a document,…
Functional Extended Redundancy Analysis
ERIC Educational Resources Information Center
Hwang, Heungsun; Suk, Hye Won; Lee, Jang-Han; Moskowitz, D. S.; Lim, Jooseop
2012-01-01
We propose a functional version of extended redundancy analysis that examines directional relationships among several sets of multivariate variables. As in extended redundancy analysis, the proposed method posits that a weighed composite of each set of exogenous variables influences a set of endogenous variables. It further considers endogenous…
NASA Astrophysics Data System (ADS)
Geng, Lin; Bi, Chuan-Xing; Xie, Feng; Zhang, Xiao-Zheng
2018-07-01
Interpolated time-domain equivalent source method is extended to reconstruct the instantaneous surface normal velocity of a vibrating structure by using the time-evolving particle velocity as the input, which provides a non-contact way to overall understand the instantaneous vibration behavior of the structure. In this method, the time-evolving particle velocity in the near field is first modeled by a set of equivalent sources positioned inside the vibrating structure, and then the integrals of equivalent source strengths are solved by an iterative solving process and are further used to calculate the instantaneous surface normal velocity. An experiment of a semi-cylindrical steel plate impacted by a steel ball is investigated to examine the ability of the extended method, where the time-evolving normal particle velocity and pressure on the hologram surface measured by a Microflown pressure-velocity probe are used as the inputs of the extended method and the method based on pressure measurements, respectively, and the instantaneous surface normal velocity of the plate measured by a laser Doppler vibrometry is used as the reference for comparison. The experimental results demonstrate that the extended method is a powerful tool to visualize the instantaneous surface normal velocity of a vibrating structure in both time and space domains and can obtain more accurate results than that of the method based on pressure measurements.
Time-Extended Policies in Mult-Agent Reinforcement Learning
NASA Technical Reports Server (NTRS)
Tumer, Kagan; Agogino, Adrian K.
2004-01-01
Reinforcement learning methods perform well in many domains where a single agent needs to take a sequence of actions to perform a task. These methods use sequences of single-time-step rewards to create a policy that tries to maximize a time-extended utility, which is a (possibly discounted) sum of these rewards. In this paper we build on our previous work showing how these methods can be extended to a multi-agent environment where each agent creates its own policy that works towards maximizing a time-extended global utility over all agents actions. We show improved methods for creating time-extended utilities for the agents that are both "aligned" with the global utility and "learnable." We then show how to crate single-time-step rewards while avoiding the pi fall of having rewards aligned with the global reward leading to utilities not aligned with the global utility. Finally, we apply these reward functions to the multi-agent Gridworld problem. We explicitly quantify a utility's learnability and alignment, and show that reinforcement learning agents using the prescribed reward functions successfully tradeoff learnability and alignment. As a result they outperform both global (e.g., team games ) and local (e.g., "perfectly learnable" ) reinforcement learning solutions by as much as an order of magnitude.
Using higher doses to compensate for tubing residuals in extended-infusion piperacillin-tazobactam.
Lam, Wendy J; Bhowmick, Tanaya; Gross, Alan; Vanschooneveld, Trevor C; Weinstein, Melvin P
2013-06-01
To mathematically assess drug losses due to infusion line residuals and evaluate methods to compensate for drug loss due to residual volumes in intravenous pump tubing. Literature was accessed through Ovid MEDLINE (1996-February 2013), using combinations of the search terms tubing residuals, residual volume, residual medication, intravenous infusions, intravenous injections, piperacillin, piperacillin-tazobactam, β-lactams, equipment design, infusion pumps, extended infusion, extended administration, and prolonged infusion. In addition, select reference citations from publications identified were reviewed. All articles that involved extended-infusion piperacillin-tazobactam implementation strategies were included in the review. Infusion pump characteristics and tubing residuals can affect extended-infusion piperacillin-tazobactam dosing strategies. Two studies addressing tubing residuals were identified. Both studies recommended increasing infusion volumes to compensate for tubing residuals. One study also recommended decreasing infusion-line dead space by using alternative infusion pump systems. Study calculations suggest that higher doses of piperacillin-tazobactam may be used to account for medication left in tubing residuals if alternative infusion pump systems cannot be obtained, and increased infusion volumes are not an option. Extended-infusion piperacillin-tazobactam has been used as a method of maximizing pharmacodynamic target attainment. Use of higher doses of piperacillin-tazobactam may be a reasonable method to compensate for drug loss due to residual volumes in large-bore intravenous pump tubing.
An immersed-shell method for modelling fluid–structure interactions
Viré, A.; Xiang, J.; Pain, C. C.
2015-01-01
The paper presents a novel method for numerically modelling fluid–structure interactions. The method consists of solving the fluid-dynamics equations on an extended domain, where the computational mesh covers both fluid and solid structures. The fluid and solid velocities are relaxed to one another through a penalty force. The latter acts on a thin shell surrounding the solid structures. Additionally, the shell is represented on the extended domain by a non-zero shell-concentration field, which is obtained by conservatively mapping the shell mesh onto the extended mesh. The paper outlines the theory underpinning this novel method, referred to as the immersed-shell approach. It also shows how the coupling between a fluid- and a structural-dynamics solver is achieved. At this stage, results are shown for cases of fundamental interest. PMID:25583857
Bateman, Helen L; Swanson, William F
2017-10-01
Semen cryopreservation and storage in genome resource banks (GRBs), in combination with artificial insemination (AI), could be invaluable for genetic management and conservation of endangered otter species. For any applied conservation benefit, effective methods for otter sperm processing and cryopreservation first must be established. In this study, our objective was to develop an effective semen cryopreservation method for the North American river otter, evaluating the effect of extender composition (i.e., glycerol concentration, Equex STM paste supplementation) and freezing protocol (timing of glycerol addition, pre-freeze cooling rate, freezing/packaging method) on post-thaw sperm motility, longevity and acrosome status. Semen was collected from 14 otters housed at 9 zoos, and following cryopreservation in an egg-yolk based extender, thawed to assess sperm motility and acrosome status immediately post-thaw and during 6 h of in vitro culture. Results indicated that extender containing 4% glycerol was preferable (p < 0.05) to 8% glycerol but the temperature/timing of extender addition containing 4% glycerol did not affect (p > 0.05) post-thaw sperm parameters. Treatments with extender containing Equex and frozen by pelleting on dry ice showed greater (p < 0.05) motility and percentage of intact acrosomes compared to treatments frozen in extender without Equex, regardless of pre-freeze cooling rate. In the absence of Equex, pelleting provided superior post-thaw sperm motility (p < 0.01) and higher (p < 0.001) percentage of sperm with intact acrosomes compared to samples frozen in straws over liquid nitrogen vapor. Results of this study indicate that cryopreservation of otter sperm using an egg-yolk -TEST based extender containing 4% glycerol and 1% Equex, with the pellet freezing method, provided superior post-thaw sperm motility, longevity and acrosomal integrity compared to other combinations. Neither alterations in timing of glycerolated extender addition nor pre-freeze cooling rate had a discernable effect on post-thaw otter sperm parameters. These findings represent the first assessment of semen cryopreservation in any otter species and may be of value as a model for development of semen cryopreservation strategies in other endangered otter species. Copyright © 2017 Elsevier Inc. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru
We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understandmore » dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.« less
Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta
NASA Astrophysics Data System (ADS)
Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao
2016-06-01
Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.
Surface photovoltage method extended to silicon solar cell junction
NASA Technical Reports Server (NTRS)
Wang, E. Y.; Baraona, C. R.; Brandhorst, H. W., Jr.
1974-01-01
The conventional surface photovoltage (SPV) method is extended to the measurement of the minority carrier diffusion length in diffused semiconductor junctions of the type used in a silicon solar cell. The minority carrier diffusion values obtained by the SPV method agree well with those obtained by the X-ray method. Agreement within experimental error is also obtained between the minority carrier diffusion lengths in solar cell diffusion junctions and in the same materials with n-regions removed by etching, when the SPV method was used in the measurements.
Villaverde-Morcillo, S; Esteso, M C; Castaño, C; Santiago-Moreno, J
2016-02-01
Many post-mortem sperm collection techniques have been described for mammalian species, but their use in birds is scarce. This paper compares the efficacy of two post-mortem sperm retrieval techniques - the flushing and float-out methods - in the collection of rooster sperm, in conjunction with the use of two extenders, i.e., L&R-84 medium and Lake 7.1 medium. To determine whether the protective effects of these extenders against refrigeration are different for post-mortem and ejaculated sperm, pooled ejaculated samples (procured via the massage technique) were also diluted in the above extenders. Post-mortem and ejaculated sperm variables were assessed immediately at room temperature (0 h), and after refrigeration at 5°C for 24 and 48 h. The flushing method retrieved more sperm than the float-out method (596.5 ± 75.4 million sperm vs 341.0 ± 87.6 million sperm; p < 0.05); indeed, the number retrieved by the former method was similar to that obtained by massage-induced ejaculation (630.3 ± 78.2 million sperm). For sperm collected by all methods, the L&R-84 medium provided an advantage in terms of sperm motility variables at 0 h. In the refrigerated sperm samples, however, the Lake 7.1 medium was associated with higher percentages of viable sperm, and had a greater protective effect (p < 0.05) with respect to most motility variables. In conclusion, the flushing method is recommended for collecting sperm from dead birds. If this sperm needs to be refrigerated at 5°C until analysis, Lake 7.1 medium is recommended as an extender. © 2015 Blackwell Verlag GmbH.
NASA Astrophysics Data System (ADS)
Ma, Zhi-Sai; Liu, Li; Zhou, Si-Da; Yu, Lei; Naets, Frank; Heylen, Ward; Desmet, Wim
2018-01-01
The problem of parametric output-only identification of time-varying structures in a recursive manner is considered. A kernelized time-dependent autoregressive moving average (TARMA) model is proposed by expanding the time-varying model parameters onto the basis set of kernel functions in a reproducing kernel Hilbert space. An exponentially weighted kernel recursive extended least squares TARMA identification scheme is proposed, and a sliding-window technique is subsequently applied to fix the computational complexity for each consecutive update, allowing the method to operate online in time-varying environments. The proposed sliding-window exponentially weighted kernel recursive extended least squares TARMA method is employed for the identification of a laboratory time-varying structure consisting of a simply supported beam and a moving mass sliding on it. The proposed method is comparatively assessed against an existing recursive pseudo-linear regression TARMA method via Monte Carlo experiments and shown to be capable of accurately tracking the time-varying dynamics. Furthermore, the comparisons demonstrate the superior achievable accuracy, lower computational complexity and enhanced online identification capability of the proposed kernel recursive extended least squares TARMA approach.
System and method for reducing combustion dynamics in a combustor
Uhm, Jong Ho; Ziminsky, Willy Steve; Johnson, Thomas Edward; Srinivasan, Shiva; York, William David
2016-11-29
A system for reducing combustion dynamics in a combustor includes an end cap that extends radially across the combustor and includes an upstream surface axially separated from a downstream surface. A combustion chamber is downstream of the end cap, and tubes extend from the upstream surface through the downstream surface. Each tube provides fluid communication through the end cap to the combustion chamber. The system further includes means for reducing combustion dynamics in the combustor. A method for reducing combustion dynamics in a combustor includes flowing a working fluid through tubes that extend axially through an end cap that extends radially across the combustor and obstructing at least a portion of the working fluid flowing through a first set of the tubes.
Extended FDD-WT method based on correcting the errors due to non-synchronous sensing of sensors
NASA Astrophysics Data System (ADS)
Tarinejad, Reza; Damadipour, Majid
2016-05-01
In this research, a combinational non-parametric method called frequency domain decomposition-wavelet transform (FDD-WT) that was recently presented by the authors, is extended for correction of the errors resulting from asynchronous sensing of sensors, in order to extend the application of the algorithm for different kinds of structures, especially for huge structures. Therefore, the analysis process is based on time-frequency domain decomposition and is performed with emphasis on correcting time delays between sensors. Time delay estimation (TDE) methods are investigated for their efficiency and accuracy for noisy environmental records and the Phase Transform - β (PHAT-β) technique was selected as an appropriate method to modify the operation of traditional FDD-WT in order to achieve the exact results. In this paper, a theoretical example (3DOF system) has been provided in order to indicate the non-synchronous sensing effects of the sensors on the modal parameters; moreover, the Pacoima dam subjected to 13 Jan 2001 earthquake excitation was selected as a case study. The modal parameters of the dam obtained from the extended FDD-WT method were compared with the output of the classical signal processing method, which is referred to as 4-Spectral method, as well as other literatures relating to the dynamic characteristics of Pacoima dam. The results comparison indicates that values are correct and reliable.
Mohammadi, Siawoosh; Hutton, Chloe; Nagy, Zoltan; Josephs, Oliver; Weiskopf, Nikolaus
2013-01-01
Diffusion tensor imaging is widely used in research and clinical applications, but this modality is highly sensitive to artefacts. We developed an easy-to-implement extension of the original diffusion tensor model to account for physiological noise in diffusion tensor imaging using measures of peripheral physiology (pulse and respiration), the so-called extended tensor model. Within the framework of the extended tensor model two types of regressors, which respectively modeled small (linear) and strong (nonlinear) variations in the diffusion signal, were derived from peripheral measures. We tested the performance of four extended tensor models with different physiological noise regressors on nongated and gated diffusion tensor imaging data, and compared it to an established data-driven robust fitting method. In the brainstem and cerebellum the extended tensor models reduced the noise in the tensor-fit by up to 23% in accordance with previous studies on physiological noise. The extended tensor model addresses both large-amplitude outliers and small-amplitude signal-changes. The framework of the extended tensor model also facilitates further investigation into physiological noise in diffusion tensor imaging. The proposed extended tensor model can be readily combined with other artefact correction methods such as robust fitting and eddy current correction. PMID:22936599
NASA Astrophysics Data System (ADS)
Seadawy, Aly R.; Kumar, Dipankar; Chakrabarty, Anuz Kumar
2018-05-01
The (2+1)-dimensional hyperbolic and cubic-quintic nonlinear Schrödinger equations describe the propagation of ultra-short pulses in optical fibers of nonlinear media. By using an extended sinh-Gordon equation expansion method, some new complex hyperbolic and trigonometric functions prototype solutions for two nonlinear Schrödinger equations were derived. The acquired new complex hyperbolic and trigonometric solutions are expressed by dark, bright, combined dark-bright, singular and combined singular solitons. The obtained results are more compatible than those of other applied methods. The extended sinh-Gordon equation expansion method is a more powerful and robust mathematical tool for generating new optical solitary wave solutions for many other nonlinear evolution equations arising in the propagation of optical pulses.
Shaped nanocrystal particles and methods for making the same
Alivisatos, A Paul [Oakland, CA; Scher, Erik C [Menlo Park, CA; Manna, Liberato [Berkeley, CA
2011-11-22
Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.
Shaped nanocrystal particles and methods for making the same
Alivisatos, A. Paul; Scher, Erik C; Manna, Liberato
2013-12-17
Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.
Shaped nanocrystal particles and methods for working the same
Alivisatos, A. Paul; Sher, Eric C.; Manna, Liberato
2007-12-25
Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.
Shaped Nonocrystal Particles And Methods For Making The Same
Alivisatos, A. Paul; Scher, Erik C.; Manna, Liberato
2005-02-15
Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.
A Method for Extrapolation of Atmospheric Soundings
2014-05-01
14 3.1.2 WRF Inter-Comparisons...8 Figure 5. Profiles comparing the 00 UTC 14 January 2013 GJT radiosonde to 1-km WRF data from 23 UTC extended from...comparing 1-km WRF data and 3-km WRF data extended from the “old surface” to the radiosonde surface using the standard extrapolation and extended
Time multiplexing based extended depth of focus imaging.
Ilovitsh, Asaf; Zalevsky, Zeev
2016-01-01
We propose to utilize the time multiplexing super resolution method to extend the depth of focus of an imaging system. In standard time multiplexing, the super resolution is achieved by generating duplication of the optical transfer function in the spectrum domain, by the use of moving gratings. While this improves the spatial resolution, it does not increase the depth of focus. By changing the gratings frequency and, by that changing the duplication positions, it is possible to obtain an extended depth of focus. The proposed method is presented analytically, demonstrated via numerical simulations and validated by a laboratory experiment.
Prediction of heterotrimeric protein complexes by two-phase learning using neighboring kernels
2014-01-01
Background Protein complexes play important roles in biological systems such as gene regulatory networks and metabolic pathways. Most methods for predicting protein complexes try to find protein complexes with size more than three. It, however, is known that protein complexes with smaller sizes occupy a large part of whole complexes for several species. In our previous work, we developed a method with several feature space mappings and the domain composition kernel for prediction of heterodimeric protein complexes, which outperforms existing methods. Results We propose methods for prediction of heterotrimeric protein complexes by extending techniques in the previous work on the basis of the idea that most heterotrimeric protein complexes are not likely to share the same protein with each other. We make use of the discriminant function in support vector machines (SVMs), and design novel feature space mappings for the second phase. As the second classifier, we examine SVMs and relevance vector machines (RVMs). We perform 10-fold cross-validation computational experiments. The results suggest that our proposed two-phase methods and SVM with the extended features outperform the existing method NWE, which was reported to outperform other existing methods such as MCL, MCODE, DPClus, CMC, COACH, RRW, and PPSampler for prediction of heterotrimeric protein complexes. Conclusions We propose two-phase prediction methods with the extended features, the domain composition kernel, SVMs and RVMs. The two-phase method with the extended features and the domain composition kernel using SVM as the second classifier is particularly useful for prediction of heterotrimeric protein complexes. PMID:24564744
Time-varying phononic crystals
NASA Astrophysics Data System (ADS)
Wright, Derek Warren
The primary objective of this thesis was to gain a deeper understanding of acoustic wave propagation in phononic crystals, particularly those that include materials whose properties can be varied periodically in time. This research was accomplished in three ways. First, a 2D phononic crystal was designed, created, and characterized. Its properties closely matched those determined through simulation. The crystal demonstrated band gaps, dispersion, and negative refraction. It served as a means of elucidating the practicalities of phononic crystal design and construction and as a physical verification of their more interesting properties. Next, the transmission matrix method for analyzing 1D phononic crystals was extended to include the effects of time-varying material parameters. The method was then used to provide a closed-form solution for the case of periodically time-varying material parameters. Some intriguing results from the use of the extended method include dramatically altered transmission properties and parametric amplification. New insights can be gained from the governing equations and have helped to identify the conditions that lead to parametric amplification in these structures. Finally, 2D multiple scattering theory was modified to analyze scatterers with time-varying material parameters. It is shown to be highly compatible with existing multiple scattering theories. It allows the total scattered field from a 2D time-varying phononic crystal to be determined. It was shown that time-varying material parameters significantly affect the phononic crystal transmission spectrum, and this was used to switch an incident monochromatic wave. Parametric amplification can occur under certain circumstances, and this effect was investigated using the closed-form solutions provided by the new 1D method. The complexity of the extended methods grows logarithmically as opposed linearly with existing methods, resulting in superior computational complexity for large numbers of scatterers. Also, since both extended methods provide analytic solutions, they may give further insights into the factors that govern the behaviour of time-varying phononic crystals. These extended methods may now be used to design an active phononic crystal that could demonstrate new or enhanced properties.
NASA Astrophysics Data System (ADS)
Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg; Saar, Martin O.
2016-10-01
We present an extended law of mass-action (xLMA) method for multiphase equilibrium calculations and apply it in the context of reactive transport modeling. This extended LMA formulation differs from its conventional counterpart in that (i) it is directly derived from the Gibbs energy minimization (GEM) problem (i.e., the fundamental problem that describes the state of equilibrium of a chemical system under constant temperature and pressure); and (ii) it extends the conventional mass-action equations with Lagrange multipliers from the Gibbs energy minimization problem, which can be interpreted as stability indices of the chemical species. Accounting for these multipliers enables the method to determine all stable phases without presuming their types (e.g., aqueous, gaseous) or their presence in the equilibrium state. Therefore, the here proposed xLMA method inherits traits of Gibbs energy minimization algorithms that allow it to naturally detect the phases present in equilibrium, which can be single-component phases (e.g., pure solids or liquids) or non-ideal multi-component phases (e.g., aqueous, melts, gaseous, solid solutions, adsorption, or ion exchange). Moreover, our xLMA method requires no technique that tentatively adds or removes reactions based on phase stability indices (e.g., saturation indices for minerals), since the extended mass-action equations are valid even when their corresponding reactions involve unstable species. We successfully apply the proposed method to a reactive transport modeling problem in which we use PHREEQC and GEMS as alternative backends for the calculation of thermodynamic properties such as equilibrium constants of reactions, standard chemical potentials of species, and activity coefficients. Our tests show that our algorithm is efficient and robust for demanding applications, such as reactive transport modeling, where it converges within 1-3 iterations in most cases. The proposed xLMA method is implemented in Reaktoro, a unified open-source framework for modeling chemically reactive systems.
Ding, Xiaorong; Yan, Bryan P; Zhang, Yuan-Ting; Liu, Jing; Zhao, Ni; Tsang, Hon Ki
2017-09-14
Cuffless technique enables continuous blood pressure (BP) measurement in an unobtrusive manner, and thus has the potential to revolutionize the conventional cuff-based approaches. This study extends the pulse transit time (PTT) based cuffless BP measurement method by introducing a new indicator - the photoplethysmogram (PPG) intensity ratio (PIR). The performance of the models with PTT and PIR was comprehensively evaluated in comparison with six models that are based on sole PTT. The validation conducted on 33 subjects with and without hypertension, at rest and under various maneuvers with induced BP changes, and over an extended calibration interval, respectively. The results showed that, comparing to the PTT models, the proposed methods achieved better accuracy on each subject group at rest state and over 24 hours calibration interval. Although the BP estimation errors under dynamic maneuvers and over extended calibration interval were significantly increased for all methods, the proposed methods still outperformed the compared methods in the latter situation. These findings suggest that additional BP-related indicator other than PTT has added value for improving the accuracy of cuffless BP measurement. This study also offers insights into future research in cuffless BP measurement for tracking dynamic BP changes and over extended periods of time.
1990-08-01
the spectral domain is extended to include the effects of two-dimensional, two-component current flow in planar transmission line discontinuities 6n...PROFESSOR: Tatsuo Itoh A deterministic formulation of the method of moments carried out in the spectral domain is extended to include the effects of...two-dimensional, two- component current flow in planar transmission line discontinuities on open substrates. The method includes the effects of space
A coherent discrete variable representation method on a sphere
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yu, Hua -Gen
Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.
A coherent discrete variable representation method on a sphere
Yu, Hua -Gen
2017-09-05
Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.
The role of extended family in diverse teens’ sexual health
Grossman, Jennifer M.; Tracy, Allison; Richer, Amanda; Erkut, Sumru
2016-01-01
Despite increasing extended family involvement in childrearing, particularly in minority families, few studies investigate their role in talking with teens about sex or how this relates to teens’ sexual behavior. This mixed methods study assesses extended family sexuality communication through a survey of 1492 diverse middle school students and interviews with 32 students. Logistic regression shows that participants who report having had sex are more likely to report talking with extended family than those who report not having had sex. Interview themes explored reasons for and content of teen sexuality conversations with extended family. More sexually active teens’ reporting communication with extended family is interpreted as extended family members gaining importance in sexuality communication as teens become sexually active. PMID:27110060
Armstrong, M Stuart; Finn, Paul W; Morris, Garrett M; Richards, W Graham
2011-08-01
In a previous paper, we presented the ElectroShape method, which we used to achieve successful ligand-based virtual screening. It extended classical shape-based methods by applying them to the four-dimensional shape of the molecule where partial charge was used as the fourth dimension to capture electrostatic information. This paper extends the approach by using atomic lipophilicity (alogP) as an additional molecular property and validates it using the improved release 2 of the Directory of Useful Decoys (DUD). When alogP replaced partial charge, the enrichment results were slightly below those of ElectroShape, though still far better than purely shape-based methods. However, when alogP was added as a complement to partial charge, the resulting five-dimensional enrichments shows a clear improvement in performance. This demonstrates the utility of extending the ElectroShape virtual screening method by adding other atom-based descriptors.
NASA Astrophysics Data System (ADS)
Rasthofer, U.; Wall, W. A.; Gravemeier, V.
2018-04-01
A novel and comprehensive computational method, referred to as the eXtended Algebraic Variational Multiscale-Multigrid-Multifractal Method (XAVM4), is proposed for large-eddy simulation of the particularly challenging problem of turbulent two-phase flow. The XAVM4 involves multifractal subgrid-scale modeling as well as a Nitsche-type extended finite element method as an approach for two-phase flow. The application of an advanced structural subgrid-scale modeling approach in conjunction with a sharp representation of the discontinuities at the interface between two bulk fluids promise high-fidelity large-eddy simulation of turbulent two-phase flow. The high potential of the XAVM4 is demonstrated for large-eddy simulation of turbulent two-phase bubbly channel flow, that is, turbulent channel flow carrying a single large bubble of the size of the channel half-width in this particular application.
Determining the Viscosity of Liquids Using an Extended Falling Ball Method
ERIC Educational Resources Information Center
Houari, Ahmed
2011-01-01
In this article, I will extend the falling ball method to measure the viscosity of liquids regardless of the degree of their viscosity. For this, I will show that one can obtain a measurement of the terminal velocity of a falling spherical ball in a viscous liquid by solving numerically the equation of motion which describes the dynamics of the…
Genetic methods for detection of antibiotic resistance: focus on extended-spectrum β-lactamases.
Chroma, Magdalena; Kolar, Milan
2010-12-01
In 1928, the first antibiotic, penicillin, was discovered. That was the beginning of a great era in the development and prescription of antibiotics. However, the introduction of these antimicrobial agents into clinical practice was accompanied by the problem of antibiotic resistance. Currently, bacterial resistance to antibiotics poses a major problem in both hospital and community settings throughout the world. This review provides examples of modern genetic methods and their practical application in the field of extended-spectrum β-lactamase detection. Since extended-spectrum β-lactamases are the main mechanism of Gram-negative bacterial resistance to oxyimino-cephalosporins, rapid and accurate detection is requested in common clinical practice. Currently, the detection of extended-spectrum β-lactamases is primarily based on the determination of bacterial phenotypes rather than genotypes. This is because therapeutic decisions are based on assessing the susceptibility rather than presence of resistance genes. One of the main disadvantages of genetic methods is high costs, including those of laboratory equipment. On the other hand, if these modern methods are introduced into diagnostics, they often help in rapid and accurate detection of certain microorganisms or their resistance and pathogenic determinants.
NASA Technical Reports Server (NTRS)
Tiffany, Sherwood H.; Adams, William M., Jr.
1988-01-01
The approximation of unsteady generalized aerodynamic forces in the equations of motion of a flexible aircraft are discussed. Two methods of formulating these approximations are extended to include the same flexibility in constraining the approximations and the same methodology in optimizing nonlinear parameters as another currently used extended least-squares method. Optimal selection of nonlinear parameters is made in each of the three methods by use of the same nonlinear, nongradient optimizer. The objective of the nonlinear optimization is to obtain rational approximations to the unsteady aerodynamics whose state-space realization is lower order than that required when no optimization of the nonlinear terms is performed. The free linear parameters are determined using the least-squares matrix techniques of a Lagrange multiplier formulation of an objective function which incorporates selected linear equality constraints. State-space mathematical models resulting from different approaches are described and results are presented that show comparative evaluations from application of each of the extended methods to a numerical example.
Hwang, Euna; Kim, Young Soo; Chung, Seum
2014-06-01
Before visiting a plastic surgeon, some microtia patients may undergo canaloplasty for hearing improvement. In such cases, scarred tissues and the reconstructed external auditory canal in the postauricular area may cause a significant limitation in using the posterior auricular skin flap for ear reconstruction. In this article, we present a new method for auricular reconstruction in microtia patients with previous canaloplasty. By dividing a postauricular skin flap into an upper scalp extended skin flap and a lower mastoid extended skin flap at the level of a reconstructed external auditory canal, the entire anterior surface of the auricular framework can be covered with the two extended postauricular skin flaps. The reconstructed ear shows good color match and texture, with the entire anterior surface of the reconstructed ear being resurfaced with the skin flaps. Clinical question/level of evidence; therapeutic level IV. Copyright © 2014 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.
Mariani, Robert Dominick
2014-09-09
Zirconium-based metal alloy compositions comprise zirconium, a first additive in which the permeability of hydrogen decreases with increasing temperatures at least over a temperature range extending from 350.degree. C. to 750.degree. C., and a second additive having a solubility in zirconium over the temperature range extending from 350.degree. C. to 750.degree. C. At least one of a solubility of the first additive in the second additive over the temperature range extending from 350.degree. C. to 750.degree. C. and a solubility of the second additive in the first additive over the temperature range extending from 350.degree. C. to 750.degree. C. is higher than the solubility of the second additive in zirconium over the temperature range extending from 350.degree. C. to 750.degree. C. Nuclear fuel rods include a cladding material comprising such metal alloy compositions, and nuclear reactors include such fuel rods. Methods are used to fabricate such zirconium-based metal alloy compositions.
The X-33 Extended Flight Test Range
NASA Technical Reports Server (NTRS)
Mackall, Dale A.; Sakahara, Robert; Kremer, Steven E.
1998-01-01
Development of an extended test range, with range instrumentation providing continuous vehicle communications, is required to flight-test the X-33, a scaled version of a reusable launch vehicle. The extended test range provides vehicle communications coverage from California to landing at Montana or Utah. This paper provides an overview of the approaches used to meet X-33 program requirements, including using multiple ground stations, and methods to reduce problems caused by reentry plasma radio frequency blackout. The advances used to develop the extended test range show other hypersonic and access-to-space programs can benefit from the development of the extended test range.
Extended active disturbance rejection controller
NASA Technical Reports Server (NTRS)
Tian, Gang (Inventor); Gao, Zhiqiang (Inventor)
2012-01-01
Multiple designs, systems, methods and processes for controlling a system or plant using an extended active disturbance rejection control (ADRC) based controller are presented. The extended ADRC controller accepts sensor information from the plant. The sensor information is used in conjunction with an extended state observer in combination with a predictor that estimates and predicts the current state of the plant and a co-joined estimate of the system disturbances and system dynamics. The extended state observer estimates and predictions are used in conjunction with a control law that generates an input to the system based in part on the extended state observer estimates and predictions as well as a desired trajectory for the plant to follow.
Extended Active Disturbance Rejection Controller
NASA Technical Reports Server (NTRS)
Gao, Zhiqiang (Inventor); Tian, Gang (Inventor)
2016-01-01
Multiple designs, systems, methods and processes for controlling a system or plant using an extended active disturbance rejection control (ADRC) based controller are presented. The extended ADRC controller accepts sensor information from the plant. The sensor information is used in conjunction with an extended state observer in combination with a predictor that estimates and predicts the current state of the plant and a co-joined estimate of the system disturbances and system dynamics. The extended state observer estimates and predictions are used in conjunction with a control law that generates an input to the system based in part on the extended state observer estimates and predictions as well as a desired trajectory for the plant to follow.
Extended Active Disturbance Rejection Controller
NASA Technical Reports Server (NTRS)
Tian, Gang (Inventor); Gao, Zhiqiang (Inventor)
2014-01-01
Multiple designs, systems, methods and processes for controlling a system or plant using an extended active disturbance rejection control (ADRC) based controller are presented. The extended ADRC controller accepts sensor information from the plant. The sensor information is used in conjunction with an extended state observer in combination with a predictor that estimates and predicts the current state of the plant and a co-joined estimate of the system disturbances and system dynamics. The extended state observer estimates and predictions are used in conjunction with a control law that generates an input to the system based in part on the extended state observer estimates and predictions as well as a desired trajectory for the plant to follow.
Estimation of three-dimensional radar tracking using modified extended kalman filter
NASA Astrophysics Data System (ADS)
Aditya, Prima; Apriliani, Erna; Khusnul Arif, Didik; Baihaqi, Komar
2018-03-01
Kalman filter is an estimation method by combining data and mathematical models then developed be extended Kalman filter to handle nonlinear systems. Three-dimensional radar tracking is one of example of nonlinear system. In this paper developed a modification method of extended Kalman filter from the direct decline of the three-dimensional radar tracking case. The development of this filter algorithm can solve the three-dimensional radar measurements in the case proposed in this case the target measured by radar with distance r, azimuth angle θ, and the elevation angle ϕ. Artificial covariance and mean adjusted directly on the three-dimensional radar system. Simulations result show that the proposed formulation is effective in the calculation of nonlinear measurement compared with extended Kalman filter with the value error at 0.77% until 1.15%.
NASA Astrophysics Data System (ADS)
Zhao, Zhili; Zhang, Honghai; Zheng, Huai; Liu, Sheng
2018-03-01
In light-emitting diode (LED) array illumination (e.g. LED backlighting), obtainment of high uniformity in the harsh condition of the large distance height ratio (DHR), extended source and near field is a key as well as challenging issue. In this study, we present a new reversing freeform lens design algorithm based on the illuminance distribution function (IDF) instead of the traditional light intensity distribution, which allows uniform LED illumination in the above mentioned harsh conditions. IDF of freeform lens can be obtained by the proposed mathematical method, considering the effects of large DHR, extended source and near field target at the same time. In order to prove the claims, a slim direct-lit LED backlighting with DHR equal to 4 is designed. In comparison with the traditional lenses, illuminance uniformity of LED backlighting with the new lens increases significantly from 0.45 to 0.84, and CV(RMSE) decreases dramatically from 0.24 to 0.03 in the harsh condition. Meanwhile, luminance uniformity of LED backlighting with the new lens is obtained as high as 0.92 at the condition of extended source and near field. This new method provides a practical and effective way to solve the problem of large DHR, extended source and near field for LED array illumination.
LANDSAT inventory of surface-mined areas using extendible digital techniques
NASA Technical Reports Server (NTRS)
Anderson, A. T.; Schultz, D. T.; Buchman, N.
1975-01-01
Multispectral LANDSAT imagery was analyzed to provide a rapid and accurate means of identification, classification, and measurement of strip-mined surfaces in Western Maryland. Four band analysis allows distinction of a variety of strip-mine associated classes, but has limited extendibility. A method for surface area measurements of strip mines, which is both geographically and temporally extendible, has been developed using band-ratioed LANDSAT reflectance data. The accuracy of area measurement by this method, averaged over three LANDSAT scenes taken between September 1972 and July 1974, is greater than 93%. Total affected acreage of large (50 hectare/124 acre) mines can be measured to within 1.0%.
Extended time-interval analysis
NASA Astrophysics Data System (ADS)
Fynbo, H. O. U.; Riisager, K.
2014-01-01
Several extensions of the halflife analysis method recently suggested by Horvat and Hardy are put forward. Goodness-of-fit testing is included, and the method is extended to cases where more information is available for each decay event which allows applications also for e.g. γ decay data. The results are tested with Monte Carlo simulations and are applied to the decays of 64Cu and 56Mn.
Claro, Tânia; Galvin, Sandra; Cahill, Orla; Fitzgerald-Hughes, Deirdre; Daniels, Stephen; Humphreys, Hilary
2014-07-01
Environmental sampling in hospitals, when required, needs to be reliable. We evaluated different methods of sampling methicillin-resistant Staphylococcus aureus and extended-spectrum β-lactamase-producing Escherichia coli on 5 materials of the hospital setting. Petrifilms and contact plates were superior to swabs for all of the surfaces studied.
Training set extension for SVM ensemble in P300-speller with familiar face paradigm.
Li, Qi; Shi, Kaiyang; Gao, Ning; Li, Jian; Bai, Ou
2018-03-27
P300-spellers are brain-computer interface (BCI)-based character input systems. Support vector machine (SVM) ensembles are trained with large-scale training sets and used as classifiers in these systems. However, the required large-scale training data necessitate a prolonged collection time for each subject, which results in data collected toward the end of the period being contaminated by the subject's fatigue. This study aimed to develop a method for acquiring more training data based on a collected small training set. A new method was developed in which two corresponding training datasets in two sequences are superposed and averaged to extend the training set. The proposed method was tested offline on a P300-speller with the familiar face paradigm. The SVM ensemble with extended training set achieved 85% classification accuracy for the averaged results of four sequences, and 100% for 11 sequences in the P300-speller. In contrast, the conventional SVM ensemble with non-extended training set achieved only 65% accuracy for four sequences, and 92% for 11 sequences. The SVM ensemble with extended training set achieves higher classification accuracies than the conventional SVM ensemble, which verifies that the proposed method effectively improves the classification performance of BCI P300-spellers, thus enhancing their practicality.
Simulation methods with extended stability for stiff biochemical Kinetics.
Rué, Pau; Villà-Freixa, Jordi; Burrage, Kevin
2010-08-11
With increasing computer power, simulating the dynamics of complex systems in chemistry and biology is becoming increasingly routine. The modelling of individual reactions in (bio)chemical systems involves a large number of random events that can be simulated by the stochastic simulation algorithm (SSA). The key quantity is the step size, or waiting time, tau, whose value inversely depends on the size of the propensities of the different channel reactions and which needs to be re-evaluated after every firing event. Such a discrete event simulation may be extremely expensive, in particular for stiff systems where tau can be very short due to the fast kinetics of some of the channel reactions. Several alternative methods have been put forward to increase the integration step size. The so-called tau-leap approach takes a larger step size by allowing all the reactions to fire, from a Poisson or Binomial distribution, within that step. Although the expected value for the different species in the reactive system is maintained with respect to more precise methods, the variance at steady state can suffer from large errors as tau grows. In this paper we extend Poisson tau-leap methods to a general class of Runge-Kutta (RK) tau-leap methods. We show that with the proper selection of the coefficients, the variance of the extended tau-leap can be well-behaved, leading to significantly larger step sizes. The benefit of adapting the extended method to the use of RK frameworks is clear in terms of speed of calculation, as the number of evaluations of the Poisson distribution is still one set per time step, as in the original tau-leap method. The approach paves the way to explore new multiscale methods to simulate (bio)chemical systems.
System and method for reducing combustion dynamics in a combustor
Uhm, Jong Ho; Johnson, Thomas Edward; Zuo, Baifang; York, William David
2013-08-20
A system for reducing combustion dynamics in a combustor includes an end cap having an upstream surface axially separated from a downstream surface, and tube bundles extend through the end cap. A diluent supply in fluid communication with the end cap provides diluent flow to the end cap. Diluent distributors circumferentially arranged inside at least one tube bundle extend downstream from the downstream surface and provide fluid communication for the diluent flow through the end cap. A method for reducing combustion dynamics in a combustor includes flowing fuel through tube bundles that extend axially through an end cap, flowing a diluent through diluent distributors into a combustion chamber, wherein the diluent distributors are circumferentially arranged inside at least one tube bundle and each diluent distributor extends downstream from the end cap, and forming a diluent barrier in the combustion chamber between at least one pair of adjacent tube bundles.
Hybrid radiator cooling system
France, David M.; Smith, David S.; Yu, Wenhua; Routbort, Jules L.
2016-03-15
A method and hybrid radiator-cooling apparatus for implementing enhanced radiator-cooling are provided. The hybrid radiator-cooling apparatus includes an air-side finned surface for air cooling; an elongated vertically extending surface extending outwardly from the air-side finned surface on a downstream air-side of the hybrid radiator; and a water supply for selectively providing evaporative cooling with water flow by gravity on the elongated vertically extending surface.
On the exact solutions of high order wave equations of KdV type (I)
NASA Astrophysics Data System (ADS)
Bulut, Hasan; Pandir, Yusuf; Baskonus, Haci Mehmet
2014-12-01
In this paper, by means of a proper transformation and symbolic computation, we study high order wave equations of KdV type (I). We obtained classification of exact solutions that contain soliton, rational, trigonometric and elliptic function solutions by using the extended trial equation method. As a result, the motivation of this paper is to utilize the extended trial equation method to explore new solutions of high order wave equation of KdV type (I). This method is confirmed by applying it to this kind of selected nonlinear equations.
NASA Astrophysics Data System (ADS)
Hübener, H.; Pérez-Osorio, M. A.; Ordejón, P.; Giustino, F.
2012-09-01
We present a systematic study of the performance of numerical pseudo-atomic orbital basis sets in the calculation of dielectric matrices of extended systems using the self-consistent Sternheimer approach of [F. Giustino et al., Phys. Rev. B 81, 115105 (2010)]. In order to cover a range of systems, from more insulating to more metallic character, we discuss results for the three semiconductors diamond, silicon, and germanium. Dielectric matrices of silicon and diamond calculated using our method fall within 1% of reference planewaves calculations, demonstrating that this method is promising. We find that polarization orbitals are critical for achieving good agreement with planewaves calculations, and that only a few additional ζ's are required for obtaining converged results, provided the split norm is properly optimized. Our present work establishes the validity of local orbital basis sets and the self-consistent Sternheimer approach for the calculation of dielectric matrices in extended systems, and prepares the ground for future studies of electronic excitations using these methods.
Gouda, Hebe N; Powles, John W
2014-02-10
Epidemiology is often described as 'the science of public health'. Here we aim to assess the extent that epidemiological methods, as covered in contemporary standard textbooks, provide tools that can assess the relative magnitude of public health problems and can be used to help rank and assess public health priorities. Narrative literature review. Thirty textbooks were grouped into three categories; pure, extended or applied epidemiology, were reviewed with attention to the ways the discipline is characterised and the nature of the analytical methods described. Pure texts tend to present a strict hierarchy of methods with those metrics deemed to best serve aetiological inquiry at the top. Extended and applied texts employ broader definitions of epidemiology but in most cases, the metrics described are also those used in aetiological inquiry and may not be optimal for capturing the consequences and social importance of injuries and disease onsets. The primary scientific purpose of epidemiology, even amongst 'applied' textbooks, is aetiological inquiry. Authors do not readily extend to methods suitable for assessing public health problems and priorities.
Pickens, Charles L.; Navarre, Brittany M.; Nair, Sunila G.
2010-01-01
We recently adapted the conditioned suppression of operant responding method to study fear incubation. We found that food-restricted rats show low fear 2 days after extended (10 d; 100 30-sec tone-shock pairings) fear training and high fear after 1–2 months. Here, we studied a potential mechanism of fear incubation: extended food-restriction stress. We also studied whether fear incubation is observed after fear training with a prolonged-duration (6-min) tone conditioned stimulus (CS), and whether conditioned freezing incubates after extended training in rats with or without a concurrent operant task. Conditioned fear was assessed 2 days and 1 month after training. In the conditioned suppression method, fear incubation was reliably observed in rats under moderate food-restriction conditions (18–20 g food/day) that allowed for weight gain, and after extended (10 d), but not limited (1 d), fear training with the 6-min CS. Incubation of conditioned freezing was observed after extended fear training in rats lever-pressing for food and, to a lesser degree, in rats not performing an operant task. Results indicate that prolonged hunger-related stress does not account for fear incubation in the conditioned suppression method, and that fear incubation occurs to a longer-duration (6-min) fear CS. Extended training also leads to robust fear incubation of conditioned freezing in rats performing an operant task and weaker fear incubation in rats not performing an operant task. PMID:20600654
Pickens, C L; Navarre, B M; Nair, S G
2010-09-15
We recently adapted the conditioned suppression of operant responding method to study fear incubation. We found that food-restricted rats show low fear 2 days after extended (10 d; 100 30-s tone-shock pairings) fear training and high fear after 1-2 months. Here, we studied a potential mechanism of fear incubation: extended food-restriction stress. We also studied whether fear incubation is observed after fear training with a prolonged-duration (6-min) tone conditioned stimulus (CS), and whether conditioned freezing incubates after extended training in rats with or without a concurrent operant task. Conditioned fear was assessed 2 days and 1 month after training. In the conditioned suppression method, fear incubation was reliably observed in rats under moderate food-restriction conditions (18-20 g food/day) that allowed for weight gain, and after extended (10 d), but not limited (1 d), fear training with the 6-min CS. Incubation of conditioned freezing was observed after extended fear training in rats lever-pressing for food and, to a lesser degree, in rats not performing an operant task. Results indicate that prolonged hunger-related stress does not account for fear incubation in the conditioned suppression method, and that fear incubation occurs to a longer-duration (6-min) fear CS. Extended training also leads to robust fear incubation of conditioned freezing in rats performing an operant task and weaker fear incubation in rats not performing an operant task. (c) 2010 IBRO. Published by Elsevier Ltd. All rights reserved.
Elaborated Odor Test for Extended Exposure
NASA Technical Reports Server (NTRS)
Buchanan, Vanessa D.; Henry, Emily J.; Mast, Dion J.; Harper, Susana A.; Beeson, Harold D.; Tapia, Alma S.
2016-01-01
Concerns were raised when incidental exposure to a proprietary bonding material revealed the material had an irritating odor. The NASA-STD-6001B document describes a supplemental test method option for programs to evaluate materials with odor concerns (Test 6, Odor Assessment). In addition to the supplemental standard odor assessment with less than 10 seconds of exposure, the NASA White Sands Test Facility (WSTF) Materials Flight Acceptance Testing section was requested to perform an odor test with an extended duration to evaluate effects of an extended exposure and to more closely simulate realistic exposure scenarios. With approval from the NASA Johnson Space Center Industrial Hygienist, WSTF developed a 15-minute odor test method. WSTF performed this extended-duration odor test to evaluate the odor and physical effects of the bonding material configured between two aluminum plates, after the safety of the gas was verified via toxicity analysis per NASA-STD-6001B Test 7, Determination of Offgassed Products. During extended-duration testing, odor panel members were arranged near the test material in a small room with the air handlers and doors closed to minimize dilution. The odor panel members wafted gas toward themselves and recorded their individual assessments of odor and physical effects at various intervals during the 15-minute exposure and posttest. A posttest interview was conducted to obtain further information. Testing was effective in providing data for comparison and selection of an optimal offgassing and odor containment configuration. The developed test method for extended exposure is proposed as a useful tool for further evaluating materials with identified odors of concern if continued use of the material is anticipated.
Neutron-detecting apparatuses and methods of fabrication
Dahal, Rajendra P.; Huang, Jacky Kuan-Chih; Lu, James J. Q.; Danon, Yaron; Bhat, Ishwara B.
2015-10-06
Neutron-detecting structures and methods of fabrication are provided which include: a substrate with a plurality of cavities extending into the substrate from a surface; a p-n junction within the substrate and extending, at least in part, in spaced opposing relation to inner cavity walls of the substrate defining the plurality of cavities; and a neutron-responsive material disposed within the plurality of cavities. The neutron-responsive material is responsive to neutrons absorbed for releasing ionization radiation products, and the p-n junction within the substrate spaced in opposing relation to and extending, at least in part, along the inner cavity walls of the substrate reduces leakage current of the neutron-detecting structure.
Method and system for pipeline communication
Richardson,; John, G [Idaho Falls, ID
2008-01-29
A pipeline communication system and method includes a pipeline having a surface extending along at least a portion of the length of the pipeline. A conductive bus is formed to and extends along a portion of the surface of the pipeline. The conductive bus includes a first conductive trace and a second conductive trace with the first and second conductive traces being adapted to conformally couple with a pipeline at the surface extending along at least a portion of the length of the pipeline. A transmitter for sending information along the conductive bus on the pipeline is coupled thereto and a receiver for receiving the information from the conductive bus on the pipeline is also couple to the conductive bus.
Extended GTST-MLD for aerospace system safety analysis.
Guo, Chiming; Gong, Shiyu; Tan, Lin; Guo, Bo
2012-06-01
The hazards caused by complex interactions in the aerospace system have become a problem that urgently needs to be settled. This article introduces a method for aerospace system hazard interaction identification based on extended GTST-MLD (goal tree-success tree-master logic diagram) during the design stage. GTST-MLD is a functional modeling framework with a simple architecture. Ontology is used to extend the ability of system interaction description in GTST-MLD by adding the system design knowledge and the past accident experience. From the level of functionality and equipment, respectively, this approach can help the technician detect potential hazard interactions. Finally, a case is used to show the method. © 2011 Society for Risk Analysis.
Demodulation of moire fringes in digital holographic interferometry using an extended Kalman filter.
Ramaiah, Jagadesh; Rastogi, Pramod; Rajshekhar, Gannavarpu
2018-03-10
This paper presents a method for extracting multiple phases from a single moire fringe pattern in digital holographic interferometry. The method relies on component separation using singular value decomposition and an extended Kalman filter for demodulating the moire fringes. The Kalman filter is applied by modeling the interference field locally as a multi-component polynomial phase signal and extracting the associated multiple polynomial coefficients using the state space approach. In addition to phase, the corresponding multiple phase derivatives can be simultaneously extracted using the proposed method. The applicability of the proposed method is demonstrated using simulation and experimental results.
Roshid, Harun-Or-; Akbar, M Ali; Alam, Md Nur; Hoque, Md Fazlul; Rahman, Nizhum
2014-01-01
In this article, a new extended (G'/G) -expansion method has been proposed for constructing more general exact traveling wave solutions of nonlinear evolution equations with the aid of symbolic computation. In order to illustrate the validity and effectiveness of the method, we pick the (3 + 1)-dimensional potential-YTSF equation. As a result, abundant new and more general exact solutions have been achieved of this equation. It has been shown that the proposed method provides a powerful mathematical tool for solving nonlinear wave equations in applied mathematics, engineering and mathematical physics.
Veijola, Timo; Råback, Peter
2007-01-01
We present a straightforward method to solve gas damping problems for perforated structures in two dimensions (2D) utilising a Perforation Profile Reynolds (PPR) solver. The PPR equation is an extended Reynolds equation that includes additional terms modelling the leakage flow through the perforations, and variable diffusivity and compressibility profiles. The solution method consists of two phases: 1) determination of the specific admittance profile and relative diffusivity (and relative compressibility) profiles due to the perforation, and 2) solution of the PPR equation with a FEM solver in 2D. Rarefied gas corrections in the slip-flow region are also included. Analytic profiles for circular and square holes with slip conditions are presented in the paper. To verify the method, square perforated dampers with 16–64 holes were simulated with a three-dimensional (3D) Navier-Stokes solver, a homogenised extended Reynolds solver, and a 2D PPR solver. Cases for both translational (in normal to the surfaces) and torsional motion were simulated. The presented method extends the region of accurate simulation of perforated structures to cases where the homogenisation method is inaccurate and the full 3D Navier-Stokes simulation is too time-consuming.
2014-01-01
Objectives Epidemiology is often described as ‘the science of public health’. Here we aim to assess the extent that epidemiological methods, as covered in contemporary standard textbooks, provide tools that can assess the relative magnitude of public health problems and can be used to help rank and assess public health priorities. Study Design Narrative literature review. Methods Thirty textbooks were grouped into three categories; pure, extended or applied epidemiology, were reviewed with attention to the ways the discipline is characterised and the nature of the analytical methods described. Results Pure texts tend to present a strict hierarchy of methods with those metrics deemed to best serve aetiological inquiry at the top. Extended and applied texts employ broader definitions of epidemiology but in most cases, the metrics described are also those used in aetiological inquiry and may not be optimal for capturing the consequences and social importance of injuries and disease onsets. Conclusions The primary scientific purpose of epidemiology, even amongst ‘applied’ textbooks, is aetiological inquiry. Authors do not readily extend to methods suitable for assessing public health problems and priorities. PMID:24507570
Theory of electron transfer and molecular state in DNA
NASA Astrophysics Data System (ADS)
Endres, Robert Gunter
2002-09-01
In this thesis, a mechanism for long-range electron transfer in DNA and a systematic search for high conductance DNA are developed. DNA is well known for containing the genetic code of all living species. On the other hand, there are some experimental indications that DNA can mediate effectively long-range electron transfer leading to the concept of chemistry at a distance. This can be important for DNA damage and healing. In the first part of the thesis, a possible mechanism for long-range electron transfer is introduced. The weak distance dependent electron transfer was experimentally observed using transition metal intercalators for donor and acceptor. In our model calculations, the transfer is mediated by the molecular analogue of a Kondo bound state well known from solid state physics of mixed-valence rare-earth compounds. We believe this is quite realistic, since localized d orbitals of the transition metal ions could function as an Anderson impurity embedded in a reservoir of rather delocalized molecular orbitals of the intercalator ligands and DNA pi orbitals. The effective Anderson model is solved with a physically intuitive variational ansatz as well as with the essentially exact DMRG method. The electronic transition matrix element, which is important because it contains the donor-acceptor distance dependence, is obtained with the Mulliken-Hush algorithm as well as from Born-Oppenheimer potential energy surfaces. Our possible explanation of long-range electron transfer is put in context to other more conventional mechanisms which also could lead to similar behavior. Another important issue of DNA is its possible use for nano-technology. Although DNA's mechanical properties are excellent, the question whether it can be conducting and be used for nano-wires is highly controversial. Experimentally, DNA shows conducting, semi-conducting and insulating properties. Motivated by these wide ranging experimental results on the conductivity of DNA, we have embarked on a theoretical effort to ascertain what conditions might induce such remarkable behavior. We use a combination of an ab initio density functional theory method and a parameterized Huckel-Slater-Koster model. Our focus here is to examine whether any likely DNA structures or environments can yield reduced activation gaps to conduction or enhanced electronic overlaps. In particular, we study a hypothetical stretched ribbon structure, A-, and B-form DNA, and the effects of counterions and humidity. Unlike solids, DNA and other molecules are considered soft condensed matter. Hence, we study the influence of vibrations upon the electronic structure of DNA. We calculate parameters for charge transfer rates between adjacent bases. We find good agreement between our estimated rates and recent experimental data assuming that torsional vibrations limit the charge transfer most significantly.
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing
1993-01-01
A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method', is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. Meanwhile, it also avoids the inaccuracy incurred due to geometry and variable interpolations used by the previous Lagrangian methods. The present method is general and capable of treating subsonic flows as well as supersonic flows. The method proposed in this paper is robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multidimensional discontinuities with a high level of accuracy, similar to that found in 1D problems.
Localization Methods for a Mobile Robot in Urban Environments
2004-10-04
Columbia University, Department of Computer Science, 2001. [30] R. Brown and P. Hwang , Introduction to random signals and applied Kalman filtering, 3rd...sensor. An extended Kalman filter integrates the sensor data and keeps track of the uncertainty associated with it. The second method is based on...errors+ compass/GPS errors corrected odometry pose odometry error estimates zk zk h(x)~ h(x)~ Kalman Filter zk Fig. 4. A diagram of the extended
NASA Astrophysics Data System (ADS)
Lu, Dianchen; Seadawy, A. R.; Arshad, M.; Wang, Jun
In this paper, new exact solitary wave, soliton and elliptic function solutions are constructed in various forms of three dimensional nonlinear partial differential equations (PDEs) in mathematical physics by utilizing modified extended direct algebraic method. Soliton solutions in different forms such as bell and anti-bell periodic, dark soliton, bright soliton, bright and dark solitary wave in periodic form etc are obtained, which have large applications in different branches of physics and other areas of applied sciences. The obtained solutions are also presented graphically. Furthermore, many other nonlinear evolution equations arising in mathematical physics and engineering can also be solved by this powerful, reliable and capable method. The nonlinear three dimensional extended Zakharov-Kuznetsov dynamica equation and (3 + 1)-dimensional modified KdV-Zakharov-Kuznetsov equation are selected to show the reliability and effectiveness of the current method.
An improved genetic algorithm and its application in the TSP problem
NASA Astrophysics Data System (ADS)
Li, Zheng; Qin, Jinlei
2011-12-01
Concept and research actuality of genetic algorithm are introduced in detail in the paper. Under this condition, the simple genetic algorithm and an improved algorithm are described and applied in an example of TSP problem, where the advantage of genetic algorithm is adequately shown in solving the NP-hard problem. In addition, based on partial matching crossover operator, the crossover operator method is improved into extended crossover operator in order to advance the efficiency when solving the TSP. In the extended crossover method, crossover operator can be performed between random positions of two random individuals, which will not be restricted by the position of chromosome. Finally, the nine-city TSP is solved using the improved genetic algorithm with extended crossover method, the efficiency of whose solution process is much higher, besides, the solving speed of the optimal solution is much faster.
Methods of Astrodynamics, a Computer Approach
1991-02-14
Number of days from 1 Jan 2000 I clpLong - Ecliptic longitude I Obliquity - mean Obliquity of the Ecliptic Iconstants I Pi I TwoPi - I Rad -Degrees per...days from 1 ian 2000 * EclpLong - Ecliptic longitude * Obliquity - Mean Obliquity of the Ecliptic * Constants * Pi 3.14159265358979 * TwoPi...3.14159265358979; TwoPi: Extended = 6.28318530717959; Rad :Extended =57.29577951308230; VAR MeanLong, MeanAnomaly, EcipLong, Obliquity , N :Extended; BEGIN
The new extended-cycle levonorgestrel-ethinyl estradiol oral contraceptives.
Bonnema, Rachel A; Spencer, Abby L
2011-09-19
Effective contraceptive counseling requires an understanding of a woman's preferences and medical history as well as the risks, benefits, side effects, and contraindications of each contraceptive method. Hormonal contraceptives using a variety of delivery methods are highly effective and this review highlights the new extended-cycle levonorgestrel-ethinyl estradiol contraceptives. Extended-cycle OCPs are unique in offering fewer or no withdrawal bleeds over the course of one year but providers need to carefully counsel women regarding the initial increased breakthrough bleeding. Extended-cycle OCPs may be of particular benefit in women with medical comorbidities who would benefit from less withdrawal bleeds, those desiring to avoid monthly menses due to increased hormonal withdrawal symptoms, or simply women who don't desire a monthly period. The risks associated with all extended-cycle OCPs have been found to be similar to those of traditional OCPs therefore counseling on the risks and side effects is comparable to that of any combined hormonal contraceptives. Newer extended-cycle regimens shorten or eliminate the hormone-free interval, decrease frequency of menses to four times per year or eliminate menses altogether. This can reduce the risk of common menstrual symptoms, endometriosis, or severe dysmenorrhea by offering potentially greater ovarian suppression and preventing endogenous estradiol production while still providing highly effective, rapidly reversible, and safe contraception.
Nonlinear Attitude Filtering Methods
NASA Technical Reports Server (NTRS)
Markley, F. Landis; Crassidis, John L.; Cheng, Yang
2005-01-01
This paper provides a survey of modern nonlinear filtering methods for attitude estimation. Early applications relied mostly on the extended Kalman filter for attitude estimation. Since these applications, several new approaches have been developed that have proven to be superior to the extended Kalman filter. Several of these approaches maintain the basic structure of the extended Kalman filter, but employ various modifications in order to provide better convergence or improve other performance characteristics. Examples of such approaches include: filter QUEST, extended QUEST, the super-iterated extended Kalman filter, the interlaced extended Kalman filter, and the second-order Kalman filter. Filters that propagate and update a discrete set of sigma points rather than using linearized equations for the mean and covariance are also reviewed. A two-step approach is discussed with a first-step state that linearizes the measurement model and an iterative second step to recover the desired attitude states. These approaches are all based on the Gaussian assumption that the probability density function is adequately specified by its mean and covariance. Other approaches that do not require this assumption are reviewed, including particle filters and a Bayesian filter based on a non-Gaussian, finite-parameter probability density function on SO(3). Finally, the predictive filter, nonlinear observers and adaptive approaches are shown. The strengths and weaknesses of the various approaches are discussed.
Essayed, Walid I; Unadkat, Prashin; Hosny, Ahmed; Frisken, Sarah; Rassi, Marcio S; Mukundan, Srinivasan; Weaver, James C; Al-Mefty, Ossama; Golby, Alexandra J; Dunn, Ian F
2018-03-02
OBJECTIVE Endoscopic endonasal approaches are increasingly performed for the surgical treatment of multiple skull base pathologies. Preventing postoperative CSF leaks remains a major challenge, particularly in extended approaches. In this study, the authors assessed the potential use of modern multimaterial 3D printing and neuronavigation to help model these extended defects and develop specifically tailored prostheses for reconstructive purposes. METHODS Extended endoscopic endonasal skull base approaches were performed on 3 human cadaveric heads. Preprocedure and intraprocedure CT scans were completed and were used to segment and design extended and tailored skull base models. Multimaterial models with different core/edge interfaces were 3D printed for implantation trials. A novel application of the intraoperative landmark acquisition method was used to transfer the navigation, helping to tailor the extended models. RESULTS Prostheses were created based on preoperative and intraoperative CT scans. The navigation transfer offered sufficiently accurate data to tailor the preprinted extended skull base defect prostheses. Successful implantation of the skull base prostheses was achieved in all specimens. The progressive flexibility gradient of the models' edges offered the best compromise for easy intranasal maneuverability, anchoring, and structural stability. Prostheses printed based on intraprocedure CT scans were accurate in shape but slightly undersized. CONCLUSIONS Preoperative 3D printing of patient-specific skull base models is achievable for extended endoscopic endonasal surgery. The careful spatial modeling and the use of a flexibility gradient in the design helped achieve the most stable reconstruction. Neuronavigation can help tailor preprinted prostheses.
Analysis of electric vehicle extended range misalignment based on rigid-flexible dynamics
NASA Astrophysics Data System (ADS)
Xu, Xiaowei; Lv, Mingliang; Chen, Zibo; Ji, Wei; Gao, Ruiceng
2017-04-01
The safety of the extended range electric vehicle is seriously affected by the misalignment fault. Therefore, this paper analyzed the electric vehicle extended range misalignment based on rigid-flexible dynamics. Through comprehensively applied the hybrid modeling of rigid-flexible and the method of fault diagnosis of machinery and equipment comprehensively, it established a extender hybrid rigid flexible mechanical model by means of the software ADAMS and ANSYS. By setting the relevant parameters to simulate the misalignment of shafting, the failure phenomenon, the spectrum analysis and the evolution rules were analyzed. It concluded that 0.5th and 1 harmonics are considered as the characteristic parameters of misalignment diagnostics for electric vehicle extended range.
Matthews, Jennifer L; Murphy, Joy M; Carmichael, Carrie; Yang, Huiping; Tiersch, Terrence; Westerfield, Monte; Varga, Zoltan M
2018-01-25
Sperm cryopreservation is a highly efficient method for preserving genetic resources. It extends the reproductive period of males and significantly reduces costs normally associated with maintenance of live animal colonies. However, previous zebrafish (Danio rerio) cryopreservation methods have produced variable outcomes and low post-thaw fertilization rates. To improve post-thaw fertilization rates after cryopreservation, we developed a new extender and cryoprotective medium (CPM), introduced quality assessment (QA), determined the optimal cooling rate, and improved the post-thaw in vitro fertilization process. We found that the hypertonic extender E400 preserved motility of sperm held on ice for at least 6 h. We implemented QA by measuring sperm cell densities with a NanoDrop spectrophotometer and sperm motility with computer-assisted sperm analysis (CASA). We developed a CPM, RMMB, which contains raffinose, skim milk, methanol, and bicine buffer. Post-thaw motility indicated that the optimal cooling rate in two types of cryogenic vials was between 10 and 15°C/min. Test thaws from this method produced average motility of 20% ± 13% and an average post-thaw fertilization rate of 68% ± 16%.
Numerical computation of gravitational field for general axisymmetric objects
NASA Astrophysics Data System (ADS)
Fukushima, Toshio
2016-10-01
We developed a numerical method to compute the gravitational field of a general axisymmetric object. The method (I) numerically evaluates a double integral of the ring potential by the split quadrature method using the double exponential rules, and (II) derives the acceleration vector by numerically differentiating the numerically integrated potential by Ridder's algorithm. Numerical comparison with the analytical solutions for a finite uniform spheroid and an infinitely extended object of the Miyamoto-Nagai density distribution confirmed the 13- and 11-digit accuracy of the potential and the acceleration vector computed by the method, respectively. By using the method, we present the gravitational potential contour map and/or the rotation curve of various axisymmetric objects: (I) finite uniform objects covering rhombic spindles and circular toroids, (II) infinitely extended spheroids including Sérsic and Navarro-Frenk-White spheroids, and (III) other axisymmetric objects such as an X/peanut-shaped object like NGC 128, a power-law disc with a central hole like the protoplanetary disc of TW Hya, and a tear-drop-shaped toroid like an axisymmetric equilibrium solution of plasma charge distribution in an International Thermonuclear Experimental Reactor-like tokamak. The method is directly applicable to the electrostatic field and will be easily extended for the magnetostatic field. The FORTRAN 90 programs of the new method and some test results are electronically available.
Huot, Suzanne; Rudman, Debbie Laliberte
2015-07-01
The study of human occupation requires a variety of methods to fully elucidate its complex, multifaceted nature. Although qualitative approaches have commonly been used within occupational therapy and occupational science, we contend that such qualitative research must extend beyond the sole use of interviews. Drawing on qualitative methodological literature, we discuss the limits of interview methods and outline other methods, particularly visual methods, as productive means to enhance qualitative research. We then provide an overview of our critical ethnographic study that used narrative, visual, and observational methods to explore the occupational transitions experienced by immigrants to Canada. We describe our use of occupational mapping and participatory occupation methods and the contributions of these combined methods. We conclude that adopting a variety of methods can enable a deeper understanding of the tacit nature of everyday occupation, and is key to advancing knowledge regarding occupation and to informing occupational therapy practice.
Validity and extension of the SCS-CN method for computing infiltration and rainfall-excess rates
NASA Astrophysics Data System (ADS)
Mishra, Surendra Kumar; Singh, Vijay P.
2004-12-01
A criterion is developed for determining the validity of the Soil Conservation Service curve number (SCS-CN) method. According to this criterion, the existing SCS-CN method is found to be applicable when the potential maximum retention, S, is less than or equal to twice the total rainfall amount. The criterion is tested using published data of two watersheds. Separating the steady infiltration from capillary infiltration, the method is extended for predicting infiltration and rainfall-excess rates. The extended SCS-CN method is tested using 55 sets of laboratory infiltration data on soils varying from Plainfield sand to Yolo light clay, and the computed and observed infiltration and rainfall-excess rates are found to be in good agreement.
Predict the fatigue life of crack based on extended finite element method and SVR
NASA Astrophysics Data System (ADS)
Song, Weizhen; Jiang, Zhansi; Jiang, Hui
2018-05-01
Using extended finite element method (XFEM) and support vector regression (SVR) to predict the fatigue life of plate crack. Firstly, the XFEM is employed to calculate the stress intensity factors (SIFs) with given crack sizes. Then predicetion model can be built based on the function relationship of the SIFs with the fatigue life or crack length. Finally, according to the prediction model predict the SIFs at different crack sizes or different cycles. Because of the accuracy of the forward Euler method only ensured by the small step size, a new prediction method is presented to resolve the issue. The numerical examples were studied to demonstrate the proposed method allow a larger step size and have a high accuracy.
NASA Astrophysics Data System (ADS)
Shu, Weixing; Lv, Xiaofang; Luo, Hailu; Wen, Shuangchun
2010-08-01
We extend the Green's function integral method to investigate the propagation of electromagnetic waves through an anisotropic dielectric-magnetic slab. From a microscopic perspective, we analyze the interaction of wave with the slab and derive the propagation characteristics by self-consistent analyses. Applying the results, we find an alternative explanation to the general mechanism for the photon tunneling. The results are confirmed by numerical simulations and disclose the underlying physics of wave propagation through slab. The method extended is applicable to other problems of propagation in dielectric-magnetic materials, including metamaterials.
Quantum quenches in two spatial dimensions using chain array matrix product states
A. J. A. James; Konik, R.
2015-10-15
We describe a method for simulating the real time evolution of extended quantum systems in two dimensions (2D). The method combines the benefits of integrability and matrix product states in one dimension to avoid several issues that hinder other applications of tensor based methods in 2D. In particular, it can be extended to infinitely long cylinders. As an example application we present results for quantum quenches in the 2D quantum [(2+1)-dimensional] Ising model. As a result, in quenches that cross a phase boundary we find that the return probability shows nonanalyticities in time.
Use of Ultrasound to Improve the Effectiveness of a Permeable Treatment Wall
NASA Technical Reports Server (NTRS)
Quinn, Jacqueline W. (Inventor); Clausen, Christian A. (Inventor); Geiger, Cherie L. (Inventor); Reinhart, Debra R. (Inventor); Ruiz, Nancy (Inventor)
2000-01-01
A method for increasing the effectiveness of a permeable treatment wall is described. The method includes the introduction of ultrasonic radiation in or near the wall. A permeable treatment wall is also described which has an ultrasonic radiation generating transducer in or near the wall. Permeable treatment walls are described as having either a well vertically extending into the wall, or a rod vertically extending into the treatment wall. Additionally, a method for adapting a permeable treatment wall to allow for the introduction of ultrasonic radiation in or near the wall is described.
Algorithms for the explicit computation of Penrose diagrams
NASA Astrophysics Data System (ADS)
Schindler, J. C.; Aguirre, A.
2018-05-01
An algorithm is given for explicitly computing Penrose diagrams for spacetimes of the form . The resulting diagram coordinates are shown to extend the metric continuously and nondegenerately across an arbitrary number of horizons. The method is extended to include piecewise approximations to dynamically evolving spacetimes using a standard hypersurface junction procedure. Examples generated by an implementation of the algorithm are shown for standard and new cases. In the appendix, this algorithm is compared to existing methods.
NASA Technical Reports Server (NTRS)
Fahrenthold, Eric P.; Shivarama, Ravishankar
2004-01-01
The hybrid particle-finite element method of Fahrenthold and Horban, developed for the simulation of hypervelocity impact problems, has been extended to include new formulations of the particle-element kinematics, additional constitutive models, and an improved numerical implementation. The extended formulation has been validated in three dimensional simulations of published impact experiments. The test cases demonstrate good agreement with experiment, good parallel speedup, and numerical convergence of the simulation results.
Analytical approach for the fractional differential equations by using the extended tanh method
NASA Astrophysics Data System (ADS)
Pandir, Yusuf; Yildirim, Ayse
2018-07-01
In this study, we consider analytical solutions of space-time fractional derivative foam drainage equation, the nonlinear Korteweg-de Vries equation with time and space-fractional derivatives and time-fractional reaction-diffusion equation by using the extended tanh method. The fractional derivatives are defined in the modified Riemann-Liouville context. As a result, various exact analytical solutions consisting of trigonometric function solutions, kink-shaped soliton solutions and new exact solitary wave solutions are obtained.
Chanapiwat, Panida; Kaeoket, Kampon; Tummaruk, Padet
2012-03-01
The present study determined the effect of different types of sugars (lactose, fructose, glucose and sorbitol) used in egg yolk-based extender on the post-thawed boar semen quality. Twenty-two ejaculates from 6 fertility-proven Yorkshire boars were cryopreserved by liquid nitrogen vapor method. Sperm motility, viability, acrosome integrity and intact functional plasma membrane were determined at 0, 2 and 4 hr after thawing. It was found that the lactose-based extender resulted in a higher percentage of post-thawed sperm motility, viability, intact acrosome and functional plasma membrane than sorbitol-based extender (P<0.05) and fructose-based extender yielded a higher post-thawed sperm motility and viability than sorbitol-based extender (P<0.05). It could be concluded that sorbitol was not an effective sugar for the cryopreservation in boar semen.
Poster Session- Extended Abstracts
Jack D. Alexander III; Jean Findley; Brenda K. Kury; Jan L. Beyers; Douglas S. Cram; Terrell T. Baker; Jon C. Boren; Carl Edminster; Sue A. Ferguson; Steven McKay; David Nagel; Trent Piepho; Miriam Rorig; Casey Anderson; Jeanne Hoadley; Paulette L. Ford; Mark C. Andersen; Ed L. Fredrickson; Joe Truett; Gary W. Roemer; Brenda K. Kury; Jennifer Vollmer; Christine L. May; Danny C. Lee; James P. Menakis; Robert E. Keane; Zhi-Liang Zhu; Carol Miller; Brett Davis; Katharine Gray; Ken Mix; William P. Kuvlesky Jr.; D. Lynn Drawe; Marcia G. Narog; Roger D. Ottmar; Robert E. Vihnanek; Clinton S. Wright; Timothy E. Paysen; Burton K. Pendleton; Rosemary L. Pendleton; Carleton S. White; John Rogan; Doug Stow; Janet Franklin; Jennifer Miller; Lisa Levien; Chris Fischer; Emma Underwood; Robert Klinger; Peggy Moore; Clinton S. Wright
2008-01-01
Titles found within Poster Session-Extended Abstracts include:Assessment of emergency fire rehabilitation of four fires from the 2000 fire season on the Vale, Oregon, BLM district: review of the density sampling materials and methods: p. 329Â Growth of regreen, seeded for erosion control, in the...
A Hybrid Ant Colony Optimization Algorithm for the Extended Capacitated Arc Routing Problem.
Li-Ning Xing; Rohlfshagen, P; Ying-Wu Chen; Xin Yao
2011-08-01
The capacitated arc routing problem (CARP) is representative of numerous practical applications, and in order to widen its scope, we consider an extended version of this problem that entails both total service time and fixed investment costs. We subsequently propose a hybrid ant colony optimization (ACO) algorithm (HACOA) to solve instances of the extended CARP. This approach is characterized by the exploitation of heuristic information, adaptive parameters, and local optimization techniques: Two kinds of heuristic information, arc cluster information and arc priority information, are obtained continuously from the solutions sampled to guide the subsequent optimization process. The adaptive parameters ease the burden of choosing initial values and facilitate improved and more robust results. Finally, local optimization, based on the two-opt heuristic, is employed to improve the overall performance of the proposed algorithm. The resulting HACOA is tested on four sets of benchmark problems containing a total of 87 instances with up to 140 nodes and 380 arcs. In order to evaluate the effectiveness of the proposed method, some existing capacitated arc routing heuristics are extended to cope with the extended version of this problem; the experimental results indicate that the proposed ACO method outperforms these heuristics.
Tajiri, Tomokazu; Morita, Shigeaki; Sakamoto, Ryosaku; Mimura, Hisahi; Ozaki, Yukihiro; Reppas, Christos; Kitamura, Satoshi
2015-07-25
The objective of this study was to develop an in vitro dissolution test method with discrimination ability for an extended-release solid dispersion matrix of a lipophilic drug using the United States Pharmacopeia (USP) Apparatus 4, flow-through cell apparatus. In the open-loop configuration, the sink condition was maintained by manipulating the flow rate of the dissolution medium. To evaluate the testing conditions, the drug release mechanism from an extended-release solid dispersion matrix containing hydrophobic and hydrophilic polymers was investigated. As the hydroxypropyl methylcellulose (HPMC) maintained concentrations of indomethacin higher than the solubility in a dissolution medium, the release of HPMC into the dissolution medium was also quantified using size-exclusion chromatography. We concluded that the USP Apparatus 4 is suitable for application to an in vitro dissolution method for orally administered extended-release solid dispersion matrix formulations containing poorly water-soluble drugs. Copyright © 2015 Elsevier B.V. All rights reserved.
A pose estimation method for unmanned ground vehicles in GPS denied environments
NASA Astrophysics Data System (ADS)
Tamjidi, Amirhossein; Ye, Cang
2012-06-01
This paper presents a pose estimation method based on the 1-Point RANSAC EKF (Extended Kalman Filter) framework. The method fuses the depth data from a LIDAR and the visual data from a monocular camera to estimate the pose of a Unmanned Ground Vehicle (UGV) in a GPS denied environment. Its estimation framework continuy updates the vehicle's 6D pose state and temporary estimates of the extracted visual features' 3D positions. In contrast to the conventional EKF-SLAM (Simultaneous Localization And Mapping) frameworks, the proposed method discards feature estimates from the extended state vector once they are no longer observed for several steps. As a result, the extended state vector always maintains a reasonable size that is suitable for online calculation. The fusion of laser and visual data is performed both in the feature initialization part of the EKF-SLAM process and in the motion prediction stage. A RANSAC pose calculation procedure is devised to produce pose estimate for the motion model. The proposed method has been successfully tested on the Ford campus's LIDAR-Vision dataset. The results are compared with the ground truth data of the dataset and the estimation error is ~1.9% of the path length.
Dynamic drought risk assessment using crop model and remote sensing techniques
NASA Astrophysics Data System (ADS)
Sun, H.; Su, Z.; Lv, J.; Li, L.; Wang, Y.
2017-02-01
Drought risk assessment is of great significance to reduce the loss of agricultural drought and ensure food security. The normally drought risk assessment method is to evaluate its exposure to the hazard and the vulnerability to extended periods of water shortage for a specific region, which is a static evaluation method. The Dynamic Drought Risk Assessment (DDRA) is to estimate the drought risk according to the crop growth and water stress conditions in real time. In this study, a DDRA method using crop model and remote sensing techniques was proposed. The crop model we employed is DeNitrification and DeComposition (DNDC) model. The drought risk was quantified by the yield losses predicted by the crop model in a scenario-based method. The crop model was re-calibrated to improve the performance by the Leaf Area Index (LAI) retrieved from MODerate Resolution Imaging Spectroradiometer (MODIS) data. And the in-situ station-based crop model was extended to assess the regional drought risk by integrating crop planted mapping. The crop planted area was extracted with extended CPPI method from MODIS data. This study was implemented and validated on maize crop in Liaoning province, China.
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing
1992-01-01
A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method', is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. Meanwhile, it also avoids the inaccuracy incurred due to geometry and variable interpolations used by the previous Lagrangian methods. Unlike the Lagrangian method previously imposed which is valid only for supersonic flows, the present method is general and capable of treating subsonic flows as well as supersonic flows. The method proposed in this paper is robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multi-dimensional discontinuities with a high level of accuracy, similar to that found in one-dimensional problems.
RGB-D SLAM Based on Extended Bundle Adjustment with 2D and 3D Information
Di, Kaichang; Zhao, Qiang; Wan, Wenhui; Wang, Yexin; Gao, Yunjun
2016-01-01
In the study of SLAM problem using an RGB-D camera, depth information and visual information as two types of primary measurement data are rarely tightly coupled during refinement of camera pose estimation. In this paper, a new method of RGB-D camera SLAM is proposed based on extended bundle adjustment with integrated 2D and 3D information on the basis of a new projection model. First, the geometric relationship between the image plane coordinates and the depth values is constructed through RGB-D camera calibration. Then, 2D and 3D feature points are automatically extracted and matched between consecutive frames to build a continuous image network. Finally, extended bundle adjustment based on the new projection model, which takes both image and depth measurements into consideration, is applied to the image network for high-precision pose estimation. Field experiments show that the proposed method has a notably better performance than the traditional method, and the experimental results demonstrate the effectiveness of the proposed method in improving localization accuracy. PMID:27529256
NASA Astrophysics Data System (ADS)
Geng, Lin; Zhang, Xiao-Zheng; Bi, Chuan-Xing
2015-05-01
Time domain plane wave superposition method is extended to reconstruct the transient pressure field radiated by an impacted plate and the normal acceleration of the plate. In the extended method, the pressure measured on the hologram plane is expressed as a superposition of time convolutions between the time-wavenumber normal acceleration spectrum on a virtual source plane and the time domain propagation kernel relating the pressure on the hologram plane to the normal acceleration spectrum on the virtual source plane. By performing an inverse operation, the normal acceleration spectrum on the virtual source plane can be obtained by an iterative solving process, and then taken as the input to reconstruct the whole pressure field and the normal acceleration of the plate. An experiment of a clamped rectangular steel plate impacted by a steel ball is presented. The experimental results demonstrate that the extended method is effective in visualizing the transient vibration and sound radiation of an impacted plate in both time and space domains, thus providing the important information for overall understanding the vibration and sound radiation of the plate.
NASA Astrophysics Data System (ADS)
An, Shengpei; Hu, Tianyue; Liu, Yimou; Peng, Gengxin; Liang, Xianghao
2017-12-01
Static correction is a crucial step of seismic data processing for onshore play, which frequently has a complex near-surface condition. The effectiveness of the static correction depends on an accurate determination of first-arrival traveltimes. However, it is difficult to accurately auto-pick the first arrivals for data with low signal-to-noise ratios (SNR), especially for those measured in the area of the complex near-surface. The technique of the super-virtual interferometry (SVI) has the potential to enhance the SNR of first arrivals. In this paper, we develop the extended SVI with (1) the application of the reverse correlation to improve the capability of SNR enhancement at near-offset, and (2) the usage of the multi-domain method to partially overcome the limitation of current method, given insufficient available source-receiver combinations. Compared to the standard SVI, the SNR enhancement of the extended SVI can be up to 40%. In addition, we propose a quality control procedure, which is based on the statistical characteristics of multichannel recordings of first arrivals. It can auto-correct the mispicks, which might be spurious events generated by the SVI. This procedure is very robust, highly automatic and it can accommodate large data in batches. Finally, we develop one automatic first-arrival picking method to combine the extended SVI and the quality control procedure. Both the synthetic and the field data examples demonstrate that the proposed method is able to accurately auto-pick first arrivals in seismic traces with low SNR. The quality of the stacked seismic sections obtained from this method is much better than those obtained from an auto-picking method, which is commonly employed by the commercial software.
Woo, Nain; Kim, Su-Kang; Sun, Yucheng; Kang, Seong Ho
2018-01-01
Human apolipoprotein E (ApoE) is associated with high cholesterol levels, coronary artery disease, and especially Alzheimer's disease. In this study, we developed an ApoE genotyping and one-step multiplex polymerase chain reaction (PCR) based-capillary electrophoresis (CE) method for the enhanced diagnosis of Alzheimer's. The primer mixture of ApoE genes enabled the performance of direct one-step multiplex PCR from whole blood without DNA purification. The combination of direct ApoE genotyping and one-step multiplex PCR minimized the risk of DNA loss or contamination due to the process of DNA purification. All amplified PCR products with different DNA lengths (112-, 253-, 308-, 444-, and 514-bp DNA) of the ApoE genes were analyzed within 2min by an extended voltage programming (VP)-based CE under the optimal conditions. The extended VP-based CE method was at least 120-180 times faster than conventional slab gel electrophoresis methods In particular, all amplified DNA fragments were detected in less than 10 PCR cycles using a laser-induced fluorescence detector. The detection limits of the ApoE genes were 6.4-62.0pM, which were approximately 100-100,000 times more sensitive than previous Alzheimer's diagnosis methods In addition, the combined one-step multiplex PCR and extended VP-based CE method was also successfully applied to the analysis of ApoE genotypes in Alzheimer's patients and normal samples and confirmed the distribution probability of allele frequencies. This combination of direct one-step multiplex PCR and an extended VP-based CE method should increase the diagnostic reliability of Alzheimer's with high sensitivity and short analysis time even with direct use of whole blood. Copyright © 2017 Elsevier B.V. All rights reserved.
Trial densities for the extended Thomas-Fermi model
NASA Astrophysics Data System (ADS)
Yu, An; Jimin, Hu
1996-02-01
A new and simplified form of nuclear densities is proposed for the extended Thomas-Fermi method (ETF) and applied to calculate the ground-state properties of several spherical nuclei, with results comparable or even better than other conventional density profiles. With the expectation value method (EVM) for microscopic corrections we checked our new densities for spherical nuclei. The binding energies of ground states almost reproduce the Hartree-Fock (HF) calculations exactly. Further applications to nuclei far away from the β-stability line are discussed.
Modified zirconium-eriochrome cyanine R determination of fluoride
Thatcher, L.L.
1957-01-01
The Eriochrome Cyanine R method for determining fluoride in natural water has been modified to provide a single, stable reagent solution, eliminate interference from oxidizing agents, extend the concentration range to 3 p.p.m., and extend the phosphate tolerance. Temperature effect was minimized; sulfate error was eliminated by precipitation. The procedure is sufficiently tolerant to interferences found in natural and polluted waters to permit the elimination of prior distillation for most samples. The method has been applied to 500 samples.
Selection theory of free dendritic growth in a potential flow.
von Kurnatowski, Martin; Grillenbeck, Thomas; Kassner, Klaus
2013-04-01
The Kruskal-Segur approach to selection theory in diffusion-limited or Laplacian growth is extended via combination with the Zauderer decomposition scheme. This way nonlinear bulk equations become tractable. To demonstrate the method, we apply it to two-dimensional crystal growth in a potential flow. We omit the simplifying approximations used in a preliminary calculation for the same system [Fischaleck, Kassner, Europhys. Lett. 81, 54004 (2008)], thus exhibiting the capability of the method to extend mathematical rigor to more complex problems than hitherto accessible.
The addition of ticarcillin-clavulanic acid to INRA 96 extender for stallion semen cooling.
Dean, C J; Hobgood, A M; Blodgett, G P; Love, C C; Blanchard, T L; Varner, D D
2012-12-01
A commonly used commercial extender (i.e. INRA 96) contains antimicrobials that may have limited effectiveness. Therefore, addition of ticarcillin-clavulanic acid to this extender is a widespread procedure in the equine breeding industry in the United States. However, such practice has not been critically evaluated. To evaluate the addition of ticarcillin-clavulanic acid to INRA 96 and different extender and antimicrobial storage conditions on sperm function and antimicrobial effectiveness. Gel-free semen (42 ejaculates from 14 mature Quarter Horse stallions) was extended with INRA 96 and stored for 24 h in an Equitainer II. The effects of added ticarcillin-clavulanic acid and different extender storage procedures on sperm motion characteristics (by computer-assisted analysis), sperm membrane integrity (by fluorescence-based measurement) and suppression of bacterial growth (by aerobic and anaerobic culture methods) were evaluated using analysis-of-variance and Chi-square statistical methods. The P value for significance was set at < 0.05. Freezing and thawing of modified or unmodified extender prior to use for stallion semen resulted in reduced sperm quality post cooling for 24 h, as evidenced by a significant reduction in sperm motility (i.e. total and progressive) and sperm membrane integrity. Addition of ticarcillin-clavulanic acid to extender resulted in higher sperm velocity when the reconstituted antimicrobial was subjected to cooled storage, as compared with frozen storage, prior to use. Only 28 of 42 ejaculates (67%) yielded presence of bacteria in neat semen but addition of ticarcillin-clavulanic acid to INRA 96 was not different than INRA 96 alone for inhibiting growth of bacteria (98 vs. 94%, respectively). Addition of ticarcillin-clavulanic acid (1 mg/ml) to INRA 96 did not adversely affect sperm quality in extended semen after cooled storage. Extender freezing and thawing prior to use had detrimental effects on sperm quality. These data suggest that INRA 96 should not be frozen and thawed prior to use. Addition of ticarcillin-clavulanic acid to INRA 96 did not impair sperm quality. All extender treatments effectively controlled the bacterial growth compared with neat semen.
Community Air Sensor Network Project: Lower Cost, Continuous Ambient Monitoring Methods
This is an extended abstract that will be part of the peer-reviewed proceedings of the AWMA annual meeting in 2015. The extended abstract covers preliminary results from the CAIRSENSE project, which involves testing low cost sensors at an NCore site in Atlanta, GA.
NASA Astrophysics Data System (ADS)
Huang, Wen-Min; Mou, Chung-Yu; Chang, Cheng-Hung
2010-02-01
While the scattering phase for several one-dimensional potentials can be exactly derived, less is known in multi-dimensional quantum systems. This work provides a method to extend the one-dimensional phase knowledge to multi-dimensional quantization rules. The extension is illustrated in the example of Bogomolny's transfer operator method applied in two quantum wells bounded by step potentials of different heights. This generalized semiclassical method accurately determines the energy spectrum of the systems, which indicates the substantial role of the proposed phase correction. Theoretically, the result can be extended to other semiclassical methods, such as Gutzwiller trace formula, dynamical zeta functions, and semiclassical Landauer-Büttiker formula. In practice, this recipe enhances the applicability of semiclassical methods to multi-dimensional quantum systems bounded by general soft potentials.
A method of determining the refractive index of a prismatic lens.
Buckley, John G
2010-01-01
A new method of measuring lens refractive index requiring immersion in solution and measuring lens power in air and in solution is extended. Prompted by a clinical need, the new method using lens power can be extended by applying it to prismatic power as well. This article provides a theoretical basis explaining why this can be done. The prismatic power of a prism is derived from first principles. Snell's Law and geometrical optics provide the framework for demonstrating the validity of the resulting formula. The sameness in formula derived using lens power or prism is shown, both from a paraxial and non-paraxial optics perspective. The effect of varying lens material and amount of prism is considered. The prismatic method described provides a useful alternative method of determining the refractive index of any lens. In some cases, it may be the only method available. Practitioners should consider when each method will provide optimal results.
Turbine bucket for use in gas turbine engines and methods for fabricating the same
Garcia-Crespo, Andres
2014-06-03
A turbine bucket for use with a turbine engine. The turbine bucket includes an airfoil that extends between a root end and a tip end. The airfoil includes an outer wall that defines a cavity that extends from the root end to the tip end. The outer wall includes a first ceramic matrix composite (CMC) substrate that extends a first distance from the root end to the tip end. An inner wall is positioned within the cavity. The inner wall includes a second CMC substrate that extends a second distance from the root end towards the tip end that is different than the first distance.
Apparatus and methods for a human extender
Jansen, John F.
2001-01-01
A human extender controller for interface between a human operator and a physical object through a physical plant. The human extender controller uses an inner-feedback loop to increase the equivalent damping of the operating system to stabilize the system when it contacts with the environment and reduces the impact of the environment variation by utilizing a high feedback gain, determined by a root locus sketch. Because the stability of the human extender controller of the present invention is greatly enhanced over that of the prior art, the present invention is able to achieve a force reflection ratio 500 to 1 and capable of handling loads above the two (2) ton range.
NASA Astrophysics Data System (ADS)
Regis, Rommel G.
2014-02-01
This article develops two new algorithms for constrained expensive black-box optimization that use radial basis function surrogates for the objective and constraint functions. These algorithms are called COBRA and Extended ConstrLMSRBF and, unlike previous surrogate-based approaches, they can be used for high-dimensional problems where all initial points are infeasible. They both follow a two-phase approach where the first phase finds a feasible point while the second phase improves this feasible point. COBRA and Extended ConstrLMSRBF are compared with alternative methods on 20 test problems and on the MOPTA08 benchmark automotive problem (D.R. Jones, Presented at MOPTA 2008), which has 124 decision variables and 68 black-box inequality constraints. The alternatives include a sequential penalty derivative-free algorithm, a direct search method with kriging surrogates, and two multistart methods. Numerical results show that COBRA algorithms are competitive with Extended ConstrLMSRBF and they generally outperform the alternatives on the MOPTA08 problem and most of the test problems.
NASA Astrophysics Data System (ADS)
Zhang, Benfeng; Han, Tao; Li, Xinyi; Huang, Yulin; Omori, Tatsuya; Hashimoto, Ken-ya
2018-07-01
This paper investigates how lateral propagation of Rayleigh and shear horizontal (SH) surface acoustic waves (SAWs) changes with rotation angle θ and SiO2 and electrode thicknesses, h SiO2 and h Cu, respectively. The extended thin plate model is used for purpose. First, the extraction method is presented for determining parameters appearing in the extended thin plate model. Then, the model parameters are expressed in polynomials in terms of h SiO2, h Cu, and θ. Finally, a piston mode structure without phase shifters is designed using the extracted parameters. The possible piston mode structures can be searched automatically by use of the polynomial expression. The resonance characteristics are analyzed by both the extended thin plate model and three-dimensional (3D) finite element method (FEM). Agreement between the results of both methods confirms validity and effectiveness of the parameter extraction process and the design technique.
Methods to Enhance Laser Speckle Imaging of High-Flow and Low-Flow Vasculature
Choi, Bernard; Ringold, Tyson L.; Kim, Jeehyun
2012-01-01
The objective of this paper is to present two methods to extend the response range of laser speckle imaging (LSI). We report on the use of two methods (image exposure time control and magnetomotive actuation of exogenous contrast agents) to enhance characterization of high- and low-flow vasculature, respectively. With an exposure time of 10 and 0.01 ms, the linear response range extended to 10 and 280 mm/s, respectively. With application of an AC magnetic field to a solution of stagnant SPIO particles, an apparent increase of ~3× in speckle flow index was induced. PMID:19964103
Bouallègue, Fayçal Ben; Crouzet, Jean-François; Comtat, Claude; Fourcade, Marjolaine; Mohammadi, Bijan; Mariano-Goulart, Denis
2007-07-01
This paper presents an extended 3-D exact rebinning formula in the Fourier space that leads to an iterative reprojection algorithm (iterative FOREPROJ), which enables the estimation of unmeasured oblique projection data on the basis of the whole set of measured data. In first approximation, this analytical formula also leads to an extended Fourier rebinning equation that is the basis for an approximate reprojection algorithm (extended FORE). These algorithms were evaluated on numerically simulated 3-D positron emission tomography (PET) data for the solution of the truncation problem, i.e., the estimation of the missing portions in the oblique projection data, before the application of algorithms that require complete projection data such as some rebinning methods (FOREX) or 3-D reconstruction algorithms (3DRP or direct Fourier methods). By taking advantage of all the 3-D data statistics, the iterative FOREPROJ reprojection provides a reliable alternative to the classical FOREPROJ method, which only exploits the low-statistics nonoblique data. It significantly improves the quality of the external reconstructed slices without loss of spatial resolution. As for the approximate extended FORE algorithm, it clearly exhibits limitations due to axial interpolations, but will require clinical studies with more realistic measured data in order to decide on its pertinence.
Using Online Media to Write Extended Persuasive Text
ERIC Educational Resources Information Center
Morton-Standish, Leisa
2014-01-01
This article examines methods of teaching students immersed in online media to write extended persuasive text. Specific examples for the writing classroom are outlined to engage students in persuasive writing through the use of online media. The persuasive writing examples are linked to the Common Core State Standards.
Hennebert, Pierre; Humez, Nicolas; Conche, Isabelle; Bishop, Ian; Rebischung, Flore
2016-02-01
Legislation published in December 2014 revised both the List of Waste (LoW) and amended Appendix III of the revised Waste Framework Directive 2008/98/EC; the latter redefined hazardous properties HP 1 to HP 13 and HP 15 but left the assessment of HP 14 unchanged to allow time for the Directorate General of the Environment of the European Commission to complete a study that is examining the impacts of four different calculation methods for the assessment of HP 14. This paper is a contribution to the assessment of the four calculation methods. It also includes the results of a fifth calculation method; referred to as "Method 2 with extended M-factors". Two sets of data were utilised in the assessment; the first (Data Set #1) comprised analytical data for 32 different waste streams (16 hazardous (H), 9 non-hazardous (NH) and 7 mirror entries, as classified by the LoW) while the second data set (Data Set #2), supplied by the eco industries, comprised analytical data for 88 waste streams, all classified as hazardous (H) by the LoW. Two approaches were used to assess the five calculation methods. The first approach assessed the relative ranking of the five calculation methods by the frequency of their classification of waste streams as H. The relative ranking of the five methods (from most severe to less severe) is: Method 3>Method 1>Method 2 with extended M-factors>Method 2>Method 4. This reflects the arithmetic ranking of the concentration limits of each method when assuming M=10, and is independent of the waste streams, or the H/NH/Mirror status of the waste streams. A second approach is the absolute matching or concordance with the LoW. The LoW is taken as a reference method and the H wastes are all supposed to be HP 14. This point is discussed in the paper. The concordance for one calculation method is established by the number of wastes with identical classification by the considered calculation method and the LoW (i.e. H to H, NH to NH). The discordance is established as well, that is when the waste is classified "H" in the LoW and "NH" by calculation (i.e. an under-estimation of the hazard). For Data Set #1, Method 2 with extended M-factors matches best with the LoW (80% concordant H and non-H by LoW, and 13% discordant for H waste by LoW). This method more correctly classifies wastes containing substances with high ecotoxicity. Methods 1 and 3 have nearly as good matches (76% and 72% concordant H and non-H by LoW, and 13% and 6% respectively discordant for H waste by LoW). Method 2 with extended M-factors, but limited to the M-factors published in the CLP has insufficient concordance (64% concordant H and non-H by LoW, and 50% discordant for H waste by LoW). As the same method with extended M-factors gives the best performance, the lower performance is due to the limited set of M-factors in the CLP. Method 4 is divergent (60% concordant H and non-H by LoW, and 56% discordant for H waste by LoW). For Data Set #2, Methods 2 and 4 do not correctly classify 24 air pollution control residues from incineration 19 01 07(∗) (3/24 and 2/24 respectively), and should not be used, while Methods 3, 1 and 2 with extended M-factors successfully classify 100% of them as hazardous. From the two sets of data, Method 2 with extended M-factors (corresponding more closely to the CLP methods used for products) matches best with the LoW when the LoW code is safely known, and Method 3 and 1 will deviate from the LoW if the samples contain substances with high ecotoxicity (in particular PAHs). Methods 2 and 4 are not recommended. Formally, this conclusion depends on the waste streams that are used for the comparison of methods and the relevancy of the classification as hazardous for ecotoxicity in the LoW. Since the set is large (120 waste streams) and no selection has been made here in the available data, the conclusion should be robust. Copyright © 2015 Elsevier Ltd. All rights reserved.
Combustor and method for purging a combustor
Berry, Jonathan Dwight; Hughes, Michael John
2015-06-09
A combustor includes an end cap. The end cap includes a first surface and a second surface downstream from the first surface, a shroud that circumferentially surrounds at least a portion of the first and second surfaces, a plate that extends radially within the shroud, a plurality of tubes that extend through the plate and the first and second surfaces, and a first purge port that extends through one or more of the plurality of tubes, wherein the purge port is axially aligned with the plate.
A new Lagrangian method for three-dimensional steady supersonic flows
NASA Technical Reports Server (NTRS)
Loh, Ching-Yuen; Liou, Meng-Sing
1993-01-01
In this report, the new Lagrangian method introduced by Loh and Hui is extended for three-dimensional, steady supersonic flow computation. The derivation of the conservation form and the solution of the local Riemann solver using the Godunov and the high-resolution TVD (total variation diminished) scheme is presented. This new approach is accurate and robust, capable of handling complicated geometry and interactions between discontinuous waves. Test problems show that the extended Lagrangian method retains all the advantages of the two-dimensional method (e.g., crisp resolution of a slip-surface (contact discontinuity) and automatic grid generation). In this report, we also suggest a novel three dimensional Riemann problem in which interesting and intricate flow features are present.
State-selective optimization of local excited electronic states in extended systems
NASA Astrophysics Data System (ADS)
Kovyrshin, Arseny; Neugebauer, Johannes
2010-11-01
Standard implementations of time-dependent density-functional theory (TDDFT) for the calculation of excitation energies give access to a number of the lowest-lying electronic excitations of a molecule under study. For extended systems, this can become cumbersome if a particular excited state is sought-after because many electronic transitions may be present. This often means that even for systems of moderate size, a multitude of excited states needs to be calculated to cover a certain energy range. Here, we present an algorithm for the selective determination of predefined excited electronic states in an extended system. A guess transition density in terms of orbital transitions has to be provided for the excitation that shall be optimized. The approach employs root-homing techniques together with iterative subspace diagonalization methods to optimize the electronic transition. We illustrate the advantages of this method for solvated molecules, core-excitations of metal complexes, and adsorbates at cluster surfaces. In particular, we study the local π →π∗ excitation of a pyridine molecule adsorbed at a silver cluster. It is shown that the method works very efficiently even for high-lying excited states. We demonstrate that the assumption of a single, well-defined local excitation is, in general, not justified for extended systems, which can lead to root-switching during optimization. In those cases, the method can give important information about the spectral distribution of the orbital transition employed as a guess.
Allawi, H T; Dong, F; Ip, H S; Neri, B P; Lyamichev, V I
2001-01-01
A rapid and simple method for determining accessible sites in RNA that is independent of the length of target RNA and does not require RNA labeling is described. In this method, target RNA is allowed to hybridize with sequence-randomized libraries of DNA oligonucleotides linked to a common tag sequence at their 5'-end. Annealed oligonucleotides are extended with reverse transcriptase and the extended products are then amplified by using PCR with a primer corresponding to the tag sequence and a second primer specific to the target RNA sequence. We used the combination of both the lengths of the RT-PCR products and the location of the binding site of the RNA-specific primer to determine which regions of the RNA molecules were RNA extendible sites, that is, sites available for oligonucleotide binding and extension. We then employed this reverse transcription with the random oligonucleotide libraries (RT-ROL) method to determine the accessible sites on four mRNA targets, human activated ras (ha-ras), human intercellular adhesion molecule-1 (ICAM-1), rabbit beta-globin, and human interferon-gamma (IFN-gamma). Our results were concordant with those of other researchers who had used RNase H cleavage or hybridization with arrays of oligonucleotides to identify accessible sites on some of these targets. Further, we found good correlation between sites when we compared the location of extendible sites identified by RT-ROL with hybridization sites of effective antisense oligonucleotides on ICAM-1 mRNA in antisense inhibition studies. Finally, we discuss the relationship between RNA extendible sites and RNA accessibility. PMID:11233988
Liang, Zhibing; Liu, Fuxian; Gao, Jiale
2018-01-01
For non-ellipsoidal extended targets and group targets tracking (NETT and NGTT), using an ellipsoid to approximate the target extension may not be accurate enough because of the lack of shape and orientation information. In consideration of this, we model a non-ellipsoidal extended target or target group as a combination of multiple ellipsoidal sub-objects, each represented by a random matrix. Based on these models, an improved gamma Gaussian inverse Wishart probability hypothesis density (GGIW-PHD) filter is proposed to estimate the measurement rates, kinematic states, and extension states of the sub-objects for each extended target or target group. For maneuvering NETT and NGTT, a multi-model (MM) approach based GGIW-PHD (MM-GGIW-PHD) filter is proposed. The common and the individual dynamics of the sub-objects belonging to the same extended target or target group are described by means of the combination between the overall maneuver model and the sub-object models. For the merging of updating components, an improved merging criterion and a new merging method are derived. A specific implementation of prediction partition with pseudo-likelihood method is presented. Two scenarios for non-maneuvering and maneuvering NETT and NGTT are simulated. The results demonstrate the effectiveness of the proposed algorithms.
Liu, Fuxian; Gao, Jiale
2018-01-01
For non-ellipsoidal extended targets and group targets tracking (NETT and NGTT), using an ellipsoid to approximate the target extension may not be accurate enough because of the lack of shape and orientation information. In consideration of this, we model a non-ellipsoidal extended target or target group as a combination of multiple ellipsoidal sub-objects, each represented by a random matrix. Based on these models, an improved gamma Gaussian inverse Wishart probability hypothesis density (GGIW-PHD) filter is proposed to estimate the measurement rates, kinematic states, and extension states of the sub-objects for each extended target or target group. For maneuvering NETT and NGTT, a multi-model (MM) approach based GGIW-PHD (MM-GGIW-PHD) filter is proposed. The common and the individual dynamics of the sub-objects belonging to the same extended target or target group are described by means of the combination between the overall maneuver model and the sub-object models. For the merging of updating components, an improved merging criterion and a new merging method are derived. A specific implementation of prediction partition with pseudo-likelihood method is presented. Two scenarios for non-maneuvering and maneuvering NETT and NGTT are simulated. The results demonstrate the effectiveness of the proposed algorithms. PMID:29444144
An efficient algorithm for the generalized Foldy-Lax formulation
NASA Astrophysics Data System (ADS)
Huang, Kai; Li, Peijun; Zhao, Hongkai
2013-02-01
Consider the scattering of a time-harmonic plane wave incident on a two-scale heterogeneous medium, which consists of scatterers that are much smaller than the wavelength and extended scatterers that are comparable to the wavelength. In this work we treat those small scatterers as isotropic point scatterers and use a generalized Foldy-Lax formulation to model wave propagation and capture multiple scattering among point scatterers and extended scatterers. Our formulation is given as a coupled system, which combines the original Foldy-Lax formulation for the point scatterers and the regular boundary integral equation for the extended obstacle scatterers. The existence and uniqueness of the solution for the formulation is established in terms of physical parameters such as the scattering coefficient and the separation distances. Computationally, an efficient physically motivated Gauss-Seidel iterative method is proposed to solve the coupled system, where only a linear system of algebraic equations for point scatterers or a boundary integral equation for a single extended obstacle scatterer is required to solve at each step of iteration. The convergence of the iterative method is also characterized in terms of physical parameters. Numerical tests for the far-field patterns of scattered fields arising from uniformly or randomly distributed point scatterers and single or multiple extended obstacle scatterers are presented.
Filatov, Michael; Martínez, Todd J.; Kim, Kwang S.
2017-08-14
An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4) method, designed to describe the ground electronic states of strongly multireference systems is modified to enable calculation of excited states within the time-independent variational formalism. The new method, the state-interaction state-averaged REKS(4,4), i.e., SI-SA-REKS(4,4), is capable of describing several excited states of a molecule involving double bond cleavage, polyradical character, or multiple chromophoric units.We demonstrate that the newmethod correctly describes the ground and the lowest singlet excited states of a molecule (ethylene) undergoing double bond cleavage. The applicability of the new method for excitonic states is illustrated withmore » π stacked ethylene and tetracene dimers. We conclude that the new method can describe a wide range of multireference phenomena.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Filatov, Michael; Martínez, Todd J.; Kim, Kwang S.
An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4) method, designed to describe the ground electronic states of strongly multireference systems is modified to enable calculation of excited states within the time-independent variational formalism. The new method, the state-interaction state-averaged REKS(4,4), i.e., SI-SA-REKS(4,4), is capable of describing several excited states of a molecule involving double bond cleavage, polyradical character, or multiple chromophoric units.We demonstrate that the newmethod correctly describes the ground and the lowest singlet excited states of a molecule (ethylene) undergoing double bond cleavage. The applicability of the new method for excitonic states is illustrated withmore » π stacked ethylene and tetracene dimers. We conclude that the new method can describe a wide range of multireference phenomena.« less
NASA Astrophysics Data System (ADS)
van Haver, Sven; Janssen, Olaf T. A.; Braat, Joseph J. M.; Janssen, Augustus J. E. M.; Urbach, H. Paul; Pereira, Silvania F.
2008-03-01
In this paper we introduce a new mask imaging algorithm that is based on the source point integration method (or Abbe method). The method presented here distinguishes itself from existing methods by exploiting the through-focus imaging feature of the Extended Nijboer-Zernike (ENZ) theory of diffraction. An introduction to ENZ-theory and its application in general imaging is provided after which we describe the mask imaging scheme that can be derived from it. The remainder of the paper is devoted to illustrating the advantages of the new method over existing methods (Hopkins-based). To this extent several simulation results are included that illustrate advantages arising from: the accurate incorporation of isolated structures, the rigorous treatment of the object (mask topography) and the fully vectorial through-focus image formation of the ENZ-based algorithm.
NASA Astrophysics Data System (ADS)
Vanrolleghem, Peter A.; Mannina, Giorgio; Cosenza, Alida; Neumann, Marc B.
2015-03-01
Sensitivity analysis represents an important step in improving the understanding and use of environmental models. Indeed, by means of global sensitivity analysis (GSA), modellers may identify both important (factor prioritisation) and non-influential (factor fixing) model factors. No general rule has yet been defined for verifying the convergence of the GSA methods. In order to fill this gap this paper presents a convergence analysis of three widely used GSA methods (SRC, Extended FAST and Morris screening) for an urban drainage stormwater quality-quantity model. After the convergence was achieved the results of each method were compared. In particular, a discussion on peculiarities, applicability, and reliability of the three methods is presented. Moreover, a graphical Venn diagram based classification scheme and a precise terminology for better identifying important, interacting and non-influential factors for each method is proposed. In terms of convergence, it was shown that sensitivity indices related to factors of the quantity model achieve convergence faster. Results for the Morris screening method deviated considerably from the other methods. Factors related to the quality model require a much higher number of simulations than the number suggested in literature for achieving convergence with this method. In fact, the results have shown that the term "screening" is improperly used as the method may exclude important factors from further analysis. Moreover, for the presented application the convergence analysis shows more stable sensitivity coefficients for the Extended-FAST method compared to SRC and Morris screening. Substantial agreement in terms of factor fixing was found between the Morris screening and Extended FAST methods. In general, the water quality related factors exhibited more important interactions than factors related to water quantity. Furthermore, in contrast to water quantity model outputs, water quality model outputs were found to be characterised by high non-linearity.
Nonlinear programming extensions to rational function approximations of unsteady aerodynamics
NASA Technical Reports Server (NTRS)
Tiffany, Sherwood H.; Adams, William M., Jr.
1987-01-01
This paper deals with approximating unsteady generalized aerodynamic forces in the equations of motion of a flexible aircraft. Two methods of formulating these approximations are extended to include both the same flexibility in constraining them and the same methodology in optimizing nonlinear parameters as another currently used 'extended least-squares' method. Optimal selection of 'nonlinear' parameters is made in each of the three methods by use of the same nonlinear (nongradient) optimizer. The objective of the nonlinear optimization is to obtain rational approximations to the unsteady aerodynamics whose state-space realization is of lower order than that required when no optimization of the nonlinear terms is performed. The free 'linear' parameters are determined using least-squares matrix techniques on a Lagrange multiplier formulation of an objective function which incorporates selected linear equality constraints. State-space mathematical models resulting from the different approaches are described, and results are presented which show comparative evaluations from application of each of the extended methods to a numerical example. The results obtained for the example problem show a significant (up to 63 percent) reduction in the number of differential equations used to represent the unsteady aerodynamic forces in linear time-invariant equations of motion as compared to a conventional method in which nonlinear terms are not optimized.
Chen, Po-Yu
2014-01-01
The validness of the expiration dates (validity period) that manufacturers provide on food product labels is a crucial food safety problem. Governments must study how to use their authority by implementing fair awards and punishments to prompt manufacturers into adopting rigorous considerations, such as the effect of adopting new storage methods for extending product validity periods on expected costs. Assuming that a manufacturer sells fresh food or drugs, this manufacturer must respond to current stochastic demands at each unit of time to determine the purchase amount of products for sale. If this decision maker is capable and an opportunity arises, new packaging methods (e.g., aluminum foil packaging, vacuum packaging, high-temperature sterilization after glass packaging, or packaging with various degrees of dryness) or storage methods (i.e., adding desiccants or various antioxidants) can be chosen to extend the validity periods of products. To minimize expected costs, this decision maker must be aware of the processing costs of new storage methods, inventory standards, inventory cycle lengths, and changes in relationships between factors such as stochastic demand functions in a cycle. Based on these changes in relationships, this study established a mathematical model as a basis for discussing the aforementioned topics.
System and method for cooling a super-conducting device
Bray, James William [Niskayuna, NY; Steinbach, Albert Eugene [Schenectady, NY; Dawson, Richard Nils [Voorheesville, NY; Laskaris, Evangelos Trifon [Schenectady, NY; Huang, Xianrul [Clifton Park, NY
2008-01-08
A system and method for cooling a superconductive rotor coil. The system comprises a rotatable shaft coupled to the superconductive rotor coil. The rotatable shaft may comprise an axial passageway extending through the rotatable shaft and a first passageway extending through a wall of the rotatable shaft to the axial passageway. The axial passageway and the first passageway are operable to convey a cryogenic fluid to the superconductive rotor coil through the wall of the rotatable shaft. A cryogenic transfer coupling may be provided to supply cryogenic fluid to the first passageway.
Methods and apparatus for radially compliant component mounting
Bulman, David Edward [Cincinnati, OH; Darkins, Jr., Toby George; Stumpf, James Anthony [Columbus, IN; Schroder, Mark S [Greenville, SC; Lipinski, John Joseph [Simpsonville, SC
2012-03-27
Methods and apparatus for a mounting assembly for a liner of a gas turbine engine combustor are provided. The combustor includes a combustor liner and a radially outer annular flow sleeve. The mounting assembly includes an inner ring surrounding a radially outer surface of the liner and including a plurality of axially extending fingers. The mounting assembly also includes a radially outer ring coupled to the inner ring through a plurality of spacers that extend radially from a radially outer surface of the inner ring to the outer ring.
NASA Technical Reports Server (NTRS)
Matthews, Clarence W
1955-01-01
The equations presented in this report give the interference on the trailing-vortex system of a uniformly loaded finite-span wing in a circular tunnel containing partly open and partly closed walls, with special reference to symmetrical arrangements of the open and closed portions. Methods are given for extending the equations to include tunnel shapes other than circular. The rectangular tunnel is used to demonstrate these methods. The equations are also extended to nonuniformly loaded wings.
Study on interaction between induced and natural fractures by extended finite element method
NASA Astrophysics Data System (ADS)
Xu, DanDan; Liu, ZhanLi; Zhuang, Zhuo; Zeng, QingLei; Wang, Tao
2017-02-01
Fracking is one of the kernel technologies in the remarkable shale gas revolution. The extended finite element method is used in this paper to numerically investigate the interaction between hydraulic and natural fractures, which is an important issue of the enigmatic fracture network formation in fracking. The criteria which control the opening of natural fracture and crossing of hydraulic fracture are tentatively presented. Influence factors on the interaction process are systematically analyzed, which include the approach angle, anisotropy of in-situ stress and fluid pressure profile.
Successes and surprises with computer-extended series
NASA Astrophysics Data System (ADS)
van Dyke, M.
An alternative to purely numerical solution of flow problems showing promise is the seminumerical technique that involves extending a perturbation series to high order by delegating the mounting arithmetic to a computer. It is noted, however, that since the method is still under development, several erroneous conclusions have been published. First, three clear successes of this method are described. It is then shown how a failure to carefully assess results has in two cases led to false conclusions. Finally, two problems are discussed that yield surprising results not yet accepted by all other investigators.
System and Method for an Integrated Satellite Platform
NASA Technical Reports Server (NTRS)
Starin, Scott R. (Inventor); Sheikh, Salman I. (Inventor); Hesse, Michael (Inventor); Clagett, Charles E. (Inventor); Santos Soto, Luis H. (Inventor); Hesh, Scott V. (Inventor); Paschalidis, Nikolaos (Inventor); Ericsson, Aprille J. (Inventor); Johnson, Michael A. (Inventor)
2018-01-01
A system, method, and computer-readable storage devices for a 6U CubeSat with a magnetometer boom. The example 6U CubeSat can include an on-board computing device connected to an electrical power system, wherein the electrical power system receives power from at least one of a battery and at least one solar panel, a first fluxgate sensor attached to an extendable boom, a release mechanism for extending the extendable boom, at least one second fluxgate sensor fixed within the satellite, an ion neutral mass spectrometer, and a relativistic electron/proton telescope. The on-board computing device can receive data from the first fluxgate sensor, the at least one second fluxgate sensor, the ion neutral mass spectrometer, and the relativistic electron/proton telescope via the bus, and can then process the data via an algorithm to deduce a geophysical signal.
System and method for reducing combustion dynamics in a combustor
Uhm, Jong Ho; Johnson, Thomas Edward; Zuo, Baifang; York, William David
2015-09-01
A system for reducing combustion dynamics in a combustor includes an end cap having an upstream surface axially separated from a downstream surface, and tube bundles extend from the upstream surface through the downstream surface. A divider inside a tube bundle defines a diluent passage that extends axially through the downstream surface, and a diluent supply in fluid communication with the divider provides diluent flow to the diluent passage. A method for reducing combustion dynamics in a combustor includes flowing a fuel through tube bundles, flowing a diluent through a diluent passage inside a tube bundle, wherein the diluent passage extends axially through at least a portion of the end cap into a combustion chamber, and forming a diluent barrier in the combustion chamber between the tube bundle and at least one other adjacent tube bundle.
Noncognitive Variables and Student Learning in Extended Opportunity Programs and Services (EOPS)
ERIC Educational Resources Information Center
Soltani, Parisa; Gutierrez Keeton, Rebecca; Hoffman, John L.
2017-01-01
The purpose of this mixed methods study was to investigate the relationship between participation in Extended Opportunity Programs and Services (EOPS) at California Valley College (CVC) (one of the 113 California Community Colleges in California) and several measures of student learning. An embedded survey design was developed using William…
ERIC Educational Resources Information Center
Poole, David
2012-01-01
The purpose of this mixed methods study was to identify and better understand leadership styles and practices that contribute to extended presidential tenure and the development of high-performing community colleges. Profiles were developed drawing from the six California community college chancellors, presidents, and superintendent/presidents who…
ERIC Educational Resources Information Center
Greenhill, Laurence L.; Muniz, Rafael; Ball, Roberta R.; Levine, Alan; Pestreich, Linda; Jiang, Hai
2006-01-01
Objective: The efficacy and safety of dexmethylphenidate extended release (d-MPH-ER) was compared to placebo in pediatric patients with attention-deficit/hyperactivity disorder (ADHD). Method: This multicenter, randomized, double-blind, placebo-controlled, parallel-group, two-phase study included 97 patients (ages 6-17 years) with…
ERIC Educational Resources Information Center
Kay, Gary G.; Michaels, M. Alex; Pakull, Barton
2009-01-01
Background: Psychostimulant treatment may improve simulated driving performance in young adults with attention-deficit/hyperactivity disorder (ADHD). Method: This was a randomized, double-blind, placebo-controlled, crossover study of simulated driving performance with mixed amphetamine salts--extended release (MAS XR) 50 mg/day (Cohort 1) and…
Extended memory management under RTOS
NASA Technical Reports Server (NTRS)
Plummer, M.
1981-01-01
A technique for extended memory management in ROLM 1666 computers using FORTRAN is presented. A general software system is described for which the technique can be ideally applied. The memory manager interface with the system is described. The protocols by which the manager is invoked are presented, as well as the methods used by the manager.
Dispersion analysis of the Pn -Pn-1DG mixed finite element pair for atmospheric modelling
NASA Astrophysics Data System (ADS)
Melvin, Thomas
2018-02-01
Mixed finite element methods provide a generalisation of staggered grid finite difference methods with a framework to extend the method to high orders. The ability to generate a high order method is appealing for applications on the kind of quasi-uniform grids that are popular for atmospheric modelling, so that the method retains an acceptable level of accuracy even around special points in the grid. The dispersion properties of such schemes are important to study as they provide insight into the numerical adjustment to imbalance that is an important component in atmospheric modelling. This paper extends the recent analysis of the P2 - P1DG pair, that is a quadratic continuous and linear discontinuous finite element pair, to higher polynomial orders and also spectral element type pairs. In common with the previously studied element pair, and also with other schemes such as the spectral element and discontinuous Galerkin methods, increasing the polynomial order is found to provide a more accurate dispersion relation for the well resolved part of the spectrum but at the cost of a number of unphysical spectral gaps. The effects of these spectral gaps are investigated and shown to have a varying impact depending upon the width of the gap. Finally, the tensor product nature of the finite element spaces is exploited to extend the dispersion analysis into two-dimensions.
Park, H M; Kim, T W
2009-01-21
Electrokinetic flows through hydrophobic microchannels experience velocity slip at the microchannel wall, which affects volumetric flow rate and solute retention time. The usual method of predicting the volumetric flow rate and velocity profile for hydrophobic microchannels is to solve the Navier-Stokes equation and the Poisson-Boltzmann equation for the electric potential with the boundary condition of velocity slip expressed by the Navier slip coefficient, which is computationally demanding and defies analytic solutions. In the present investigation, we have devised a simple method of predicting the velocity profiles and volumetric flow rates of electrokinetic flows by extending the concept of the Helmholtz-Smoluchowski velocity to microchannels with Navier slip. The extended Helmholtz-Smoluchowski velocity is simple to use and yields accurate results as compared to the exact solutions. Employing the extended Helmholtz-Smoluchowski velocity, the analytical expressions for volumetric flow rate and velocity profile for electrokinetic flows through rectangular microchannels with Navier slip have been obtained at high values of zeta potential. The range of validity of the extended Helmholtz-Smoluchowski velocity is also investigated.
Utilizing Expert Knowledge in Estimating Future STS Costs
NASA Technical Reports Server (NTRS)
Fortner, David B.; Ruiz-Torres, Alex J.
2004-01-01
A method of estimating the costs of future space transportation systems (STSs) involves classical activity-based cost (ABC) modeling combined with systematic utilization of the knowledge and opinions of experts to extend the process-flow knowledge of existing systems to systems that involve new materials and/or new architectures. The expert knowledge is particularly helpful in filling gaps that arise in computational models of processes because of inconsistencies in historical cost data. Heretofore, the costs of planned STSs have been estimated following a "top-down" approach that tends to force the architectures of new systems to incorporate process flows like those of the space shuttles. In this ABC-based method, one makes assumptions about the processes, but otherwise follows a "bottoms up" approach that does not force the new system architecture to incorporate a space-shuttle-like process flow. Prototype software has been developed to implement this method. Through further development of software, it should be possible to extend the method beyond the space program to almost any setting in which there is a need to estimate the costs of a new system and to extend the applicable knowledge base in order to make the estimate.
Evidence for a Massive Extraterrestrial Airburst over North America 12.9 ka Ago
NASA Astrophysics Data System (ADS)
Firestone, R. B.; West, A.; Revay, Z.; Belgya, T.; Smith, A.; Que Hee, S. S.
2007-05-01
A carbon-rich black layer commonly referred to as a black mat, with a basal age of approximately 12.9 ka, has been identified at over 50 sites across North America1. The age of the base of the black mat coincides with the abrupt onset of Younger Dryas cooling and megafaunal extinctions in North America. In situ bones of extinct mammals, including mammoths, mastodons, ground sloths, horses, camels, many smaller mammals and birds, and Clovis tool assemblages occur below the black mat but not within or above it. In this paper, we provide evidence for an ejecta layer at the base of the black mat from an extraterrestrial impact event 12.9 ka ago. We have investigated nine terminal Clovis-age sites in North America and a comparable site in Lommel, Belgium that are all marked by a thin, discrete layer containing varying peak abundances of (1) magnetic grains/microspherules containing iridium concentrations up to 117 ppb, (2) charcoal, (3) soot, (4) vesicular carbon spherules, (5) glass-like carbon, and (6) fullerenes enriched in 3He. This layer also extends throughout the rims of at least fifteen Carolina Bays, unique, elliptical, oriented lakes and wetlands scattered across the Atlantic Coastal Plain whose major axes point towards the Great Lakes and Canada. Microspherules, highly enriched in titanium, were found only in or near the YD boundary (YDB) layer with greatest deposition rates (35 per cm2) occurring near the Great Lakes. Magnetic grains also peak in the YDB with maximum deposition near the Great Lakes (30 mg/cm2). Magnetic grains near the Great Lakes are enriched in magnetite (4 mg/cm2) and silicates (23 mg/cm2) but contain less ilmenite/rutile (1 mg/cm2) than distant sites where ilmentite/rutile deposition ranges up to 18 mg/cm2. Analysis of the ilmenite/rutile-rich magnetic grains and microspherules indicates that they contain considerable water, up to 28 at.% hydrogen, and have TIO2/FeO, TIO2/Zr, Al2O3/FeO+MgO, CaO/Al2O3, REE/chondrite, K/Th, FeO/MnO ratios and SIO2, Na2O, K2O, Cr2O3, Ni, Co, Ir, Th, U, and other trace element abundances that are inconsistent with all terrestrial and extraterrestrial sources except for Lunar Procellarum KREEP terrain (PKT). We propose that the YDB layer is the ejecta layer from an airburst over the Laurentide Ice Sheet that deposited local, low-speed terrestrial material near the airburst site and KREEP-like, high-speed projectile material farther away, leaving little or no permanent crater. The associated blast wave and thermal pulse would have contributed to the megafaunal extinctions and destabilized the Laurentide Ice Sheet, loading the atmosphere with dust, soot, NOx, and water vapor and triggered the YD cooling. 1 Haynes, C. V., Jr. in Murray Springs: a Clovis site with multiple activity areas in the San Pedro Valley, Arizona. C. V. Haynes, Jr. and Bruce B. Huckell, eds. Tucson: Univ. of Arizona Press, in press, 2007.
Solvent for urethane adhesives and coatings and method of use
Simandl, Ronald F.; Brown, John D.; Holt, Jerrid S.
2010-08-03
A solvent for urethane adhesives and coatings, the solvent having a carbaldehyde and a cyclic amide as constituents. In some embodiments the solvent consists only of miscible constituents. In some embodiments the carbaldehyde is benzaldehyde and in some embodiments the cyclic amide is N-methylpyrrolidone (M-pyrole). An extender may be added to the solvent. In some embodiments the extender is miscible with the other ingredients, and in some embodiments the extender is non-aqueous. For example, the extender may include isopropanol, ethanol, tetrahydro furfuryl alcohol, benzyl alcohol, Gamma-butyrolactone or a caprolactone. In some embodiments a carbaldehyde and a cyclic amide are heated and used to separate a urethane bonded to a component.
ERIC Educational Resources Information Center
Erlichson, Herman
2000-01-01
Describes an experiment that extends Newton's instantaneous-impulse method of orbital analysis to a graphical method of orbit determination. Discusses the experiment's usefulness for teaching both horizontal projectile motion and instantaneous impulse. (WRM)
A Review of System Identification Methods Applied to Aircraft
NASA Technical Reports Server (NTRS)
Klein, V.
1983-01-01
Airplane identification, equation error method, maximum likelihood method, parameter estimation in frequency domain, extended Kalman filter, aircraft equations of motion, aerodynamic model equations, criteria for the selection of a parsimonious model, and online aircraft identification are addressed.
Cryopreservation of bull semen: Evolution from egg yolk based to soybean based extenders.
Layek, S S; Mohanty, T K; Kumaresan, A; Parks, J E
2016-09-01
Since the inception of bovine semen cryopreservation, egg yolk and milk based extenders have been used to protect sperm from the detrimental effects of cooling and freezing. In recent years, demand for alternatives to conventional commercial extenders has arisen as the risk of introducing exotic diseases through transporting egg yolk based products has been recognized. Egg yolk can also interfere with sperm evaluation and the presence of particulate material in the extender may reduce fertility. Soybeans contain lecithin, a phospholipid fraction that can substitute for high molecular weight lipoprotein and phospholipids from egg yolk and prevent or ameliorate damage to the sperm plasma membrane that occurs during extension, cooling, and cryopreservation. Soy lecithin based extenders have been evaluated for processing and freezing bovine semen, although extender from soybean milk has not been studied as extensively. Commercially available soy lecithin based extenders are used increasingly but remain under scrutiny and are not universally accepted. With these observations in mind, this review is intended to examine effects of conventional cryopreservation procedures, methods of assessment, and potential for developing soybean extract as an acceptable alternative to traditional egg yolk and milk based extenders for bull sperm cryopreservation. Copyright © 2016. Published by Elsevier B.V.
A method of designing smartphone interface based on the extended user's mental model
NASA Astrophysics Data System (ADS)
Zhao, Wei; Li, Fengmin; Bian, Jiali; Pan, Juchen; Song, Song
2017-01-01
The user's mental model is the core guiding theory of product design, especially practical products. The essence of practical product is a tool which is used by users to meet their needs. Then, the most important feature of a tool is usability. The design method based on the user's mental model provides a series of practical and feasible theoretical guidance for improving the usability of the product according to the user's awareness of things. In this paper, we propose a method of designing smartphone interface based on the extended user's mental model according to further research on user groups. This approach achieves personalized customization of smartphone application interface and enhance application using efficiency.
Color Histogram Diffusion for Image Enhancement
NASA Technical Reports Server (NTRS)
Kim, Taemin
2011-01-01
Various color histogram equalization (CHE) methods have been proposed to extend grayscale histogram equalization (GHE) for color images. In this paper a new method called histogram diffusion that extends the GHE method to arbitrary dimensions is proposed. Ranges in a histogram are specified as overlapping bars of uniform heights and variable widths which are proportional to their frequencies. This diagram is called the vistogram. As an alternative approach to GHE, the squared error of the vistogram from the uniform distribution is minimized. Each bar in the vistogram is approximated by a Gaussian function. Gaussian particles in the vistoram diffuse as a nonlinear autonomous system of ordinary differential equations. CHE results of color images showed that the approach is effective.
Conjugate-gradient optimization method for orbital-free density functional calculations.
Jiang, Hong; Yang, Weitao
2004-08-01
Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.
Radiant exchange in partially specular architectural environments
NASA Astrophysics Data System (ADS)
Beamer, C. Walter; Muehleisen, Ralph T.
2003-10-01
The radiant exchange method, also known as radiosity, was originally developed for thermal radiative heat transfer applications. Later it was used to model architectural lighting systems, and more recently it has been extended to model acoustic systems. While there are subtle differences in these applications, the basic method is based on solving a system of energy balance equations, and it is best applied to spaces with mainly diffuse reflecting surfaces. The obvious drawback to this method is that it is based around the assumption that all surfaces in the system are diffuse reflectors. Because almost all architectural systems have at least some partially specular reflecting surfaces in the system it is important to extend the radiant exchange method to deal with this type of surface reflection. [Work supported by NSF.
Grain Size and Phase Purity Characterization of U 3Si 2 Pellet Fuel
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hoggan, Rita E.; Tolman, Kevin R.; Cappia, Fabiola
Characterization of U 3Si 2 fresh fuel pellets is important for quality assurance and validation of the finished product. Grain size measurement methods, phase identification methods using scanning electron microscopes equipped with energy dispersive spectroscopy and x-ray diffraction, and phase quantification methods via image analysis have been developed and implemented on U 3Si 2 pellet samples. A wide variety of samples have been characterized including representative pellets from an initial irradiation experiment, and samples produced using optimized methods to enhance phase purity from an extended fabrication effort. The average grain size for initial pellets was between 16 and 18 µm.more » The typical average grain size for pellets from the extended fabrication was between 20 and 30 µm with some samples exhibiting irregular grain growth. Pellets from the latter half of extended fabrication had a bimodal grain size distribution consisting of coarsened grains (>80 µm) surrounded by the typical (20-30 µm) grain structure around the surface. Phases identified in initial uranium silicide pellets included: U 3Si 2 as the main phase composing about 80 vol. %, Si rich phases (USi and U 5Si 4) composing about 13 vol. %, and UO 2 composing about 5 vol. %. Initial batches from the extended U 3Si 2 pellet fabrication had similar phases and phase quantities. The latter half of the extended fabrication pellet batches did not contain Si rich phases, and had between 1-5% UO 2: achieving U 3Si 2 phase purity between 95 vol. % and 98 vol. % U 3Si 2. The amount of UO 2 in sintered U 3Si 2 pellets is correlated to the length of time between U 3Si 2 powder fabrication and pellet formation. These measurements provide information necessary to optimize fabrication efforts and a baseline for future work on this fuel compound.« less
Dielectric boundary force and its crucial role in gramicidin
NASA Astrophysics Data System (ADS)
Nadler, Boaz; Hollerbach, Uwe; Eisenberg, R. S.
2003-08-01
In an electrostatic problem with nonuniform geometry, a charge Q in one region induces surface charges [called dielectric boundary charges (DBC)] at boundaries between different dielectrics. These induced surface charges, in return, exert a force [called dielectric boundary force (DBF)] on the charge Q that induced them. The DBF is often overlooked. It is not present in standard continuum theories of (point) ions in or near membranes and proteins, such as Gouy-Chapman, Debye-Huckel, Poisson-Boltzmann or Poisson-Nernst- Planck. The DBF is important when a charge Q is near dielectric interfaces, for example, when ions permeate through protein channels embedded in biological membranes. In this paper, we define the DBF and calculate it explicitly for a planar dielectric wall and for a tunnel geometry resembling the ionic channel gramicidin. In general, we formulate the DBF in a form useful for continuum theories, namely, as a solution of a partial differential equation with boundary conditions. The DBF plays a crucial role in the permeation of ions through the gramicidin channel. A positive ion in the channel produces a DBF of opposite sign to that of the fixed charge force (FCF) produced by the permanent charge of the gramicidin polypeptide, and so the net force on the positive ion is reduced. A negative ion creates a DBF of the same sign as the FCF and so the net (repulsive) force on the negative ion is increased. Thus, a positive ion can permeate the channel, while a negative ion is excluded from it. In gramicidin, it is this balance between the FCF and DBF that allows only singly charged positive ions to move into and through the channel. The DBF is not directly responsible, however, for selectivity between the alkali metal ions (e.g., Li+, Na+, K+): we prove that the DBF on a mobile spherical ion is independent of the ion’s radius.
Chakraborty, Brahmananda
2015-08-20
Applying Green-Kubo formalism and equilibrium molecular dynamics (MD) simulations, we have studied for the first time the dynamic correlation, Onsager coefficients, and Maxwell-Stefan (MS) diffusivities of molten salt LiF-BeF2, which is a potential candidate for a coolant in a high temperature reactor. We observe an unusual composition dependence and strikingly a crossover in sign for all the MS diffusivities at a composition of around 7% of LiF where the MS diffusivity between cation-anion pair (Đ(BeF) and Đ(LiF)) jumps from positive to negative value while the MS diffusivity between cation-cation pair (Đ(LiBe)) becomes positive from a negative value. Even though the negative MS diffusivities have been observed for electrolyte solutions between cation-cation pair, here we report negative MS diffusivity between cation-anion pair where Đ(BeF) shows a sharp rise around 66% of BeF2, reaches maximum value at 70% of BeF2, and then decreases almost exponentially with a sign change for BeF2 around 93%. For low mole fraction of LiF, Đ(BeF) follows the Debye-Huckel theory and rises with the square root of LiF mole fraction similar to the MS diffusivity between cation-anion pair in aqueous solution of electrolyte salt. Negative MS diffusivities while unusual are, however, shown to satisfy the non-negative entropy constraints at all thermodynamic states as required by the second law of thermodynamics. We have established a strong correlation between the structure and dynamics and predict that the formation of flouride polyanion network between Be and F ions and coulomb interaction is responsible for sharp variation of the MS diffusivities which controls the multicomponent diffusion phenomenon in LiF-BeF2 which has a strong impact on the performance of the reactor.
Effectiveness of glucose-methanol extender for cryopreservation of Huso huso spermatozoa.
Aramli, Mohammad Sadegh; Golshahi, Karim; Nazari, Rajab Mohammad; Aramli, Salim; Banan, Ashkan
2015-11-01
The present approach was designed to evaluate the methanol-glucose extender effects on sperm cryopreservation in beluga sturgeon, Huso huso. Sperm quality was examined by measuring post-thaw sperm motility and fertilizing rate at hatching stage. We first tested the effect of glucose concentration (0, 0.10, 0.15, 0.20 and 0.30M) in a methanol extender on post-thaw sperm motility. The optimal cryopreservation conditions were found to be 0.2M glucose in the extender. Then, motility and fertilization rates of sperm cryopreserved with 0.2M glucose and 10% methanol (GM) were compared to Tris-sucrose-KCl in 10% methanol extender (TSKM). Additionally, sperm motility and fertilizing ability in relation to 15 and 30min equilibration in GM extender before and after cryopreservation were measured. Higher post-thaw sperm motility duration and percentage as well as fertilization rate were obtained with the GM extender when compared to TSKM extender. Equilibration of sperm in extender did not affect the motility quality of either fresh-diluted or frozen/thawed sperm, while fertilization rate showed a significant decline alone after 30min of post-thaw storage. Our results indicated that the use of a simple extender consisting of 0.2M glucose in 10% methanol can be an alternative cryopreservation method to those previously described for sturgeons. Copyright © 2015 Elsevier B.V. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Nakano, M; Kida, S; Masutani, Y
2014-06-01
Purpose: In the previous study, we developed time-ordered fourdimensional (4D) cone-beam CT (CBCT) technique to visualize nonperiodic organ motion, such as peristaltic motion of gastrointestinal organs and adjacent area, using half-scan reconstruction method. One important obstacle was that truncation of projection was caused by asymmetric location of flat-panel detector (FPD) in order to cover whole abdomen or pelvis in one rotation. In this study, we propose image mosaicing to extend projection data to make possible to reconstruct full field-of-view (FOV) image using half-scan reconstruction. Methods: The projections of prostate cancer patients were acquired using the X-ray Volume Imaging system (XVI,more » version 4.5) on Synergy linear accelerator system (Elekta, UK). The XVI system has three options of FOV, S, M and L, and M FOV was chosen for pelvic CBCT acquisition, with a FPD panel 11.5 cm offset. The method to produce extended projections consists of three main steps: First, normal three-dimensional (3D) reconstruction which contains whole pelvis was implemented using real projections. Second, virtual projections were produced by reprojection process of the reconstructed 3D image. Third, real and virtual projections in each angle were combined into one extended mosaic projection. Then, 4D CBCT images were reconstructed using our inhouse reconstruction software based on Feldkamp, Davis and Kress algorithm. The angular range of each reconstruction phase in the 4D reconstruction was 180 degrees, and the range moved as time progressed. Results: Projection data were successfully extended without discontinuous boundary between real and virtual projections. Using mosaic projections, 4D CBCT image sets were reconstructed without artifacts caused by the truncation, and thus, whole pelvis was clearly visible. Conclusion: The present method provides extended projections which contain whole pelvis. The presented reconstruction method also enables time-ordered 4D CBCT reconstruction of organs with non-periodic motion with full FOV without projection-truncation artifacts. This work was partly supported by the JSPS Core-to-Core Program(No. 23003). This work was partly supported by JSPS KAKENHI 24234567.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ma, Hong -Hao; Wu, Xing -Gang; Ma, Yang
A key problem in making precise perturbative QCD (pQCD) predictions is how to set the renormalization scale of the running coupling unambiguously at each finite order. The elimination of the uncertainty in setting the renormalization scale in pQCD will greatly increase the precision of collider tests of the Standard Model and the sensitivity to new phenomena. Renormalization group invariance requires that predictions for observables must also be independent on the choice of the renormalization scheme. The well-known Brodsky-Lepage-Mackenzie (BLM) approach cannot be easily extended beyond next-to-next-to-leading order of pQCD. Several suggestions have been proposed to extend the BLM approach tomore » all orders. In this paper we discuss two distinct methods. One is based on the “Principle of Maximum Conformality” (PMC), which provides a systematic all-orders method to eliminate the scale and scheme ambiguities of pQCD. The PMC extends the BLM procedure to all orders using renormalization group methods; as an outcome, it significantly improves the pQCD convergence by eliminating renormalon divergences. An alternative method is the “sequential extended BLM” (seBLM) approach, which has been primarily designed to improve the convergence of pQCD series. The seBLM, as originally proposed, introduces auxiliary fields and follows the pattern of the β0-expansion to fix the renormalization scale. However, the seBLM requires a recomputation of pQCD amplitudes including the auxiliary fields; due to the limited availability of calculations using these auxiliary fields, the seBLM has only been applied to a few processes at low orders. In order to avoid the complications of adding extra fields, we propose a modified version of seBLM which allows us to apply this method to higher orders. As a result, we then perform detailed numerical comparisons of the two alternative scale-setting approaches by investigating their predictions for the annihilation cross section ratio R e+e– at four-loop order in pQCD.« less
Sidick, Erkin
2013-09-10
An adaptive periodic-correlation (APC) algorithm was developed for use in extended-scene Shack-Hartmann wavefront sensors. It provides high accuracy even when the subimages in a frame captured by a Shack-Hartmann camera are not only shifted but also distorted relative to each other. Recently we found that the shift estimate error of the APC algorithm has a component that depends on the content of the extended scene. In this paper, we assess the amount of that error and propose a method to minimize it.
Atomic Structure and Properties of Extended Defects in Silicon
DOE Office of Scientific and Technical Information (OSTI.GOV)
Buczko, R.; Chisholm, M.F.; Kaplan, T.
1998-10-15
The Z-contrast technique represents a new approach to high-resolution electron microscopy allowing for the first time incoherent imaging of materials on the atomic scale. The key advantages of the technique, an intrinsically higher resolution limit and directly interpretable, compositionally sensitive imaging, allow a new level of insight into the atomic configurations of extended defects in silicon. This experimental technique has been combined with theoretical calculations (a combination of first principles, tight binding, and classical methods) to extend this level of insight by obtaining the energetic and electronic structure of the defects.
A Simple Procedure for Constructing 5'-Amino-Terminated Oligodeoxynucleotides in Aqueous Solution
NASA Technical Reports Server (NTRS)
Bruick, Richard K.; Koppitz, Marcus; Joyce, Gerald F.; Orgel, Leslie E.
1997-01-01
A rapid method for the synthesis of oligodeoxynucleotides (ODNs) terminated by 5'-amino-5'-deoxythymidine is described. A 3'-phosphorylated ODN (the donor) is incubated in aqueous solution with 5'-amino- 5'-deoxythymidine in the presence of N-(3-dimethylaminopropyl)-)N'-ethylcarbodiimide hydrochloride (EDC), extending the donor by one residue via a phosphoramidate bond. Template- directed ligation of the extended donor and an acceptor ODN, followed by acid hydrolysis, yields the acceptor ODN extended by a single 5'-amino-5'-deoxythymidine residue at its 5'terminus.
NASA Technical Reports Server (NTRS)
Sidick, Erkin
2012-01-01
Adaptive Periodic-Correlation (APC) algorithm was developed for use in extended-scene Shack-Hartmann wavefront sensors. It provides high-accuracy even when the sub-images in a frame captured by a Shack-Hartmann camera are not only shifted but also distorted relative to each other. Recently we found that the shift-estimate error of the APC algorithm has a component that depends on the content of extended-scene. In this paper we assess the amount of that error and propose a method to minimize it.
Extending the depth of field in a fixed focus lens using axial colour
NASA Astrophysics Data System (ADS)
Fitzgerald, Niamh; Dainty, Christopher; Goncharov, Alexander V.
2017-11-01
We propose a method of extending the depth of field (EDOF) of conventional lenses for a low cost iris recognition front-facing smartphone camera. Longitudinal chromatic aberration (LCA) can be induced in the lens by means of dual wavelength illumination. The EDOF region is then constructed from the sum of the adjacent depths of field from each wavelength illumination. The lens parameters can be found analytically with paraxial raytracing. The extended depth of field is dependant on the glass chosen and position of the near object point.
A stable second order method for training back propagation networks
NASA Technical Reports Server (NTRS)
Nachtsheim, Philip R.
1993-01-01
A simple method for improving the learning rate of the back-propagation algorithm is described. The basis of the method is that approximate second order corrections can be incorporated in the output units. The extended method leads to significant improvements in the convergence rate.
NASA Astrophysics Data System (ADS)
Konno, Yohko; Suzuki, Keiji
This paper describes an approach to development of a solution algorithm of a general-purpose for large scale problems using “Local Clustering Organization (LCO)” as a new solution for Job-shop scheduling problem (JSP). Using a performance effective large scale scheduling in the study of usual LCO, a solving JSP keep stability induced better solution is examined. In this study for an improvement of a performance of a solution for JSP, processes to a optimization by LCO is examined, and a scheduling solution-structure is extended to a new solution-structure based on machine-division. A solving method introduced into effective local clustering for the solution-structure is proposed as an extended LCO. An extended LCO has an algorithm which improves scheduling evaluation efficiently by clustering of parallel search which extends over plural machines. A result verified by an application of extended LCO on various scale of problems proved to conduce to minimizing make-span and improving on the stable performance.
Shen, Jian; Deng, Degang; Kong, Weijin; Liu, Shijie; Shen, Zicai; Wei, Chaoyang; He, Hongbo; Shao, Jianda; Fan, Zhengxiu
2006-11-01
By introducing the scattering probability of a subsurface defect (SSD) and statistical distribution functions of SSD radius, refractive index, and position, we derive an extended bidirectional reflectance distribution function (BRDF) from the Jones scattering matrix. This function is applicable to the calculation for comparison with measurement of polarized light-scattering resulting from a SSD. A numerical calculation of the extended BRDF for the case of p-polarized incident light was performed by means of the Monte Carlo method. Our numerical results indicate that the extended BRDF strongly depends on the light incidence angle, the light scattering angle, and the out-of-plane azimuth angle. We observe a 180 degrees symmetry with respect to the azimuth angle. We further investigate the influence of the SSD density, the substrate refractive index, and the statistical distributions of the SSD radius and refractive index on the extended BRDF. For transparent substrates, we also find the dependence of the extended BRDF on the SSD positions.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hramov, Alexander E.; Saratov State Technical University, Politechnicheskaja str., 77, Saratov 410054; Koronovskii, Alexey A.
2012-08-15
The spectrum of Lyapunov exponents is powerful tool for the analysis of the complex system dynamics. In the general framework of nonlinear dynamics, a number of the numerical techniques have been developed to obtain the spectrum of Lyapunov exponents for the complex temporal behavior of the systems with a few degree of freedom. Unfortunately, these methods cannot be applied directly to analysis of complex spatio-temporal dynamics of plasma devices which are characterized by the infinite phase space, since they are the spatially extended active media. In the present paper, we propose the method for the calculation of the spectrum ofmore » the spatial Lyapunov exponents (SLEs) for the spatially extended beam-plasma systems. The calculation technique is applied to the analysis of chaotic spatio-temporal oscillations in three different beam-plasma model: (1) simple plasma Pierce diode, (2) coupled Pierce diodes, and (3) electron-wave system with backward electromagnetic wave. We find an excellent agreement between the system dynamics and the behavior of the spectrum of the spatial Lyapunov exponents. Along with the proposed method, the possible problems of SLEs calculation are also discussed. It is shown that for the wide class of the spatially extended systems, the set of quantities included in the system state for SLEs calculation can be reduced using the appropriate feature of the plasma systems.« less
Kessler, Rebecca J; Reese, Jessica; Chang, Denise; Seth, Mayank; Hale, Anne S; Giger, Urs
2010-09-01
Testing for canine blood types other than dog erythrocyte antigen 1.1 (DEA 1.1) is controversial and complicated by reagent availability and methodology. The objectives of this study were to use available gel column technology to develop an extended blood-typing method using polyclonal reagents for DEA 1.1, 1.2, 3, 4, 7, and Dal and to assess the use of gel columns for cross-matching. Dogs (43-75) were typed for DEA 1.1, 1.2, 3, 4, 7, and Dal. METHODS included tube agglutination (Tube) using polyclonal reagents, a commercially available DEA 1.1 gel column test kit (Standard-Gel) using monoclonal reagent, and multiple gel columns (Extended-Gel) using polyclonal reagents. Blood from 10 recipient and 15 donor dogs was typed as described above and cross-matched using the gel column technique. Of 43 dogs typed for DEA 1.1, 23, 25, and 20 dogs were positive using Standard-Gel, Extended-Gel, and Tube, respectively. Typing for DEA 1.2 was not achievable with Extended-Gel. For 75 dogs typed for DEA 3, 4, and 7, concordance of Extended-Gel with Tube was 94.7%, 100%, and 84%, respectively. Dal, determined only by Extended-Gel, was positive for all dogs. Post-transfusion major cross-matches were incompatible in 10 of 14 pairings, but none were associated with demonstrable blood type incompatibilities. Gel column methodology can be adapted for use with polyclonal reagents for detecting DEA 1.1, 3, 4, 7, and Dal. Agglutination reactions are similar between Extended-Gel and Tube, but are more easily interpreted with Extended-Gel. When using gel columns for cross-matching, incompatible blood cross-matches can be detected following sensitization by transfusion, although in this study incompatibilities associated with any tested DEA or Dal antigens were not found. ©2010 American Society for Veterinary Clinical Pathology.
ERIC Educational Resources Information Center
McGill, Peter; Bradshaw, Jill; Hughes, Andrea
2007-01-01
Background: This study sought to gather information about the impact of extended training in positive behaviour support on staff knowledge, causal attributions and emotional responses. Methods: Students completed questionnaires at the beginning, middle and end of a University Diploma course to measure changes in their knowledge of challenging…
ERIC Educational Resources Information Center
Ferran, C.; Bosch, S.; Carnicer, A.
2012-01-01
A practical activity designed to introduce wavefront coding techniques as a method to extend the depth of field in optical systems is presented. The activity is suitable for advanced undergraduate students since it combines different topics in optical engineering such as optical system design, aberration theory, Fourier optics, and digital image…
ERIC Educational Resources Information Center
Smull, Ned W.; And Others
The basic purposes of the Profile Examination for Physician Extenders (PEPE) project included: (1) development of a computerized test item bank from which Profile Examinations could be generated, (2) review and analysis of curricula for the allied health groups, and (3) assessment of the reliability and validity of the Profile Examinations. The…
Superconducting Technology Assessment
2005-08-01
designing a single compressor pulse tube between the high pump frequency which produces good efficiency at the higher...noise models must be extended to sub-micron JJs. Transmission line models must be extended to the high frequency regime. VHDL models and methods ...temperatures and the low frequencies needed at low temperatures. Hybrid Sterling- pulse tube coolers allow the higher efficiency of a Sterling high
ERIC Educational Resources Information Center
Jain, Rakesh; Segal, Scott; Kollins, Scott H.; Khayrallah, Moise
2011-01-01
Objective: This study examined the efficacy and safety of clonidine hydrochloride extended-release tablets (CLON-XR) in children and adolescents with attention-deficit/hyperactivity disorder (ADHD). Method: This 8-week, placebo-controlled, fixed-dose trial, including 3 weeks of dose escalation, of patients 6 to 17 years old with ADHD evaluated the…
Examining the Inclusion of Quantitative Research in a Meta-Ethnographic Review
ERIC Educational Resources Information Center
Booker, Rhae-Ann Richardson
2010-01-01
This study explored how one might extend meta-ethnography to quantitative research for the advancement of interpretive review methods. Using the same population of 139 studies on racial-ethnic matching as data, my investigation entailed an extended meta-ethnography (EME) and comparison of its results to a published meta-analysis (PMA). Adhering to…
ERIC Educational Resources Information Center
Spielman, Jennifer; Ramig, Lorraine O.; Mahler, Leslie; Halpern, Angela; Gavin, William J.
2007-01-01
Purpose: The present study examined vocal SPL, voice handicap, and speech characteristics in Parkinson's disease (PD) following an extended version of the Lee Silverman Voice Treatment (LSVT), to help determine whether current treatment dosages can be altered without compromising clinical outcomes. Method: Twelve participants with idiopathic PD…
An Extension of Least Squares Estimation of IRT Linking Coefficients for the Graded Response Model
ERIC Educational Resources Information Center
Kim, Seonghoon
2010-01-01
The three types (generalized, unweighted, and weighted) of least squares methods, proposed by Ogasawara, for estimating item response theory (IRT) linking coefficients under dichotomous models are extended to the graded response model. A simulation study was conducted to confirm the accuracy of the extended formulas, and a real data study was…
Direct 4D reconstruction of parametric images incorporating anato-functional joint entropy.
Tang, Jing; Kuwabara, Hiroto; Wong, Dean F; Rahmim, Arman
2010-08-07
We developed an anatomy-guided 4D closed-form algorithm to directly reconstruct parametric images from projection data for (nearly) irreversible tracers. Conventional methods consist of individually reconstructing 2D/3D PET data, followed by graphical analysis on the sequence of reconstructed image frames. The proposed direct reconstruction approach maintains the simplicity and accuracy of the expectation-maximization (EM) algorithm by extending the system matrix to include the relation between the parametric images and the measured data. A closed-form solution was achieved using a different hidden complete-data formulation within the EM framework. Furthermore, the proposed method was extended to maximum a posterior reconstruction via incorporation of MR image information, taking the joint entropy between MR and parametric PET features as the prior. Using realistic simulated noisy [(11)C]-naltrindole PET and MR brain images/data, the quantitative performance of the proposed methods was investigated. Significant improvements in terms of noise versus bias performance were demonstrated when performing direct parametric reconstruction, and additionally upon extending the algorithm to its Bayesian counterpart using the MR-PET joint entropy measure.
Amesos2 and Belos: Direct and Iterative Solvers for Large Sparse Linear Systems
Bavier, Eric; Hoemmen, Mark; Rajamanickam, Sivasankaran; ...
2012-01-01
Solvers for large sparse linear systems come in two categories: direct and iterative. Amesos2, a package in the Trilinos software project, provides direct methods, and Belos, another Trilinos package, provides iterative methods. Amesos2 offers a common interface to many different sparse matrix factorization codes, and can handle any implementation of sparse matrices and vectors, via an easy-to-extend C++ traits interface. It can also factor matrices whose entries have arbitrary “Scalar” type, enabling extended-precision and mixed-precision algorithms. Belos includes many different iterative methods for solving large sparse linear systems and least-squares problems. Unlike competing iterative solver libraries, Belos completely decouples themore » algorithms from the implementations of the underlying linear algebra objects. This lets Belos exploit the latest hardware without changes to the code. Belos favors algorithms that solve higher-level problems, such as multiple simultaneous linear systems and sequences of related linear systems, faster than standard algorithms. The package also supports extended-precision and mixed-precision algorithms. Together, Amesos2 and Belos form a complete suite of sparse linear solvers.« less
NASA Technical Reports Server (NTRS)
Butler, Thomas G.
1987-01-01
Methods of modeling mass for bars are surveyed. A method for extending John Archer's concept of consistent mass beyond just translational inertia effects is included. Recommendations are given for various types of modeling situations.
Sensitivity analysis of dynamic biological systems with time-delays.
Wu, Wu Hsiung; Wang, Feng Sheng; Chang, Maw Shang
2010-10-15
Mathematical modeling has been applied to the study and analysis of complex biological systems for a long time. Some processes in biological systems, such as the gene expression and feedback control in signal transduction networks, involve a time delay. These systems are represented as delay differential equation (DDE) models. Numerical sensitivity analysis of a DDE model by the direct method requires the solutions of model and sensitivity equations with time-delays. The major effort is the computation of Jacobian matrix when computing the solution of sensitivity equations. The computation of partial derivatives of complex equations either by the analytic method or by symbolic manipulation is time consuming, inconvenient, and prone to introduce human errors. To address this problem, an automatic approach to obtain the derivatives of complex functions efficiently and accurately is necessary. We have proposed an efficient algorithm with an adaptive step size control to compute the solution and dynamic sensitivities of biological systems described by ordinal differential equations (ODEs). The adaptive direct-decoupled algorithm is extended to solve the solution and dynamic sensitivities of time-delay systems describing by DDEs. To save the human effort and avoid the human errors in the computation of partial derivatives, an automatic differentiation technique is embedded in the extended algorithm to evaluate the Jacobian matrix. The extended algorithm is implemented and applied to two realistic models with time-delays: the cardiovascular control system and the TNF-α signal transduction network. The results show that the extended algorithm is a good tool for dynamic sensitivity analysis on DDE models with less user intervention. By comparing with direct-coupled methods in theory, the extended algorithm is efficient, accurate, and easy to use for end users without programming background to do dynamic sensitivity analysis on complex biological systems with time-delays.
NASA Astrophysics Data System (ADS)
Shinnaka, Shinji
This paper presents a new unified analysis of estimate errors by model-matching extended-back-EMF estimation methods for sensorless drive of permanent-magnet synchronous motors. Analytical solutions about estimate errors, whose validity is confirmed by numerical experiments, are rich in universality and applicability. As an example of universality and applicability, a new trajectory-oriented vector control method is proposed, which can realize directly quasi-optimal strategy minimizing total losses with no additional computational loads by simply orienting one of vector-control coordinates to the associated quasi-optimal trajectory. The coordinate orientation rule, which is analytically derived, is surprisingly simple. Consequently the trajectory-oriented vector control method can be applied to a number of conventional vector control systems using model-matching extended-back-EMF estimation methods.
Gai, Litao; Bilige, Sudao; Jie, Yingmo
2016-01-01
In this paper, we successfully obtained the exact solutions and the approximate analytic solutions of the (2 + 1)-dimensional KP equation based on the Lie symmetry, the extended tanh method and the homotopy perturbation method. In first part, we obtained the symmetries of the (2 + 1)-dimensional KP equation based on the Wu-differential characteristic set algorithm and reduced it. In the second part, we constructed the abundant exact travelling wave solutions by using the extended tanh method. These solutions are expressed by the hyperbolic functions, the trigonometric functions and the rational functions respectively. It should be noted that when the parameters are taken as special values, some solitary wave solutions are derived from the hyperbolic function solutions. Finally, we apply the homotopy perturbation method to obtain the approximate analytic solutions based on four kinds of initial conditions.
Algorithms for image recovery calculation in extended single-shot phase-shifting digital holography
NASA Astrophysics Data System (ADS)
Hasegawa, Shin-ya; Hirata, Ryo
2018-04-01
The single-shot phase-shifting method of image recovery using an inclined reference wave has the advantages of reducing the effects of vibration, being capable of operating in real time, and affording low-cost sensing. In this method, relatively low reference angles compared with that in the conventional method using phase shift between three or four pixels has been required. We propose an extended single-shot phase-shifting technique which uses the multiple-step phase-shifting algorithm and the corresponding multiple pixels which are the same as that of the period of an interference fringe. We have verified the theory underlying this recovery method by means of Fourier spectral analysis and its effectiveness by evaluating the visibility of the image using a high-resolution pattern. Finally, we have demonstrated high-contrast image recovery experimentally using a resolution chart. This method can be used in a variety of applications such as color holographic interferometry.
NASA Technical Reports Server (NTRS)
Ulbrich, N.; Volden, T.
2018-01-01
Analysis and use of temperature-dependent wind tunnel strain-gage balance calibration data are discussed in the paper. First, three different methods are presented and compared that may be used to process temperature-dependent strain-gage balance data. The first method uses an extended set of independent variables in order to process the data and predict balance loads. The second method applies an extended load iteration equation during the analysis of balance calibration data. The third method uses temperature-dependent sensitivities for the data analysis. Physical interpretations of the most important temperature-dependent regression model terms are provided that relate temperature compensation imperfections and the temperature-dependent nature of the gage factor to sets of regression model terms. Finally, balance calibration recommendations are listed so that temperature-dependent calibration data can be obtained and successfully processed using the reviewed analysis methods.
NASA Astrophysics Data System (ADS)
Busto, S.; Ferrín, J. L.; Toro, E. F.; Vázquez-Cendón, M. E.
2018-01-01
In this paper the projection hybrid FV/FE method presented in [1] is extended to account for species transport equations. Furthermore, turbulent regimes are also considered thanks to the k-ε model. Regarding the transport diffusion stage new schemes of high order of accuracy are developed. The CVC Kolgan-type scheme and ADER methodology are extended to 3D. The latter is modified in order to profit from the dual mesh employed by the projection algorithm and the derivatives involved in the diffusion term are discretized using a Galerkin approach. The accuracy and stability analysis of the new method are carried out for the advection-diffusion-reaction equation. Within the projection stage the pressure correction is computed by a piecewise linear finite element method. Numerical results are presented, aimed at verifying the formal order of accuracy of the scheme and to assess the performance of the method on several realistic test problems.
Systems and methods for determining strength of cylindrical structures by internal pressure loading
DeTeresa, Steven John; Groves, Scott Eric; Sanchez, Roberto Joseph; Andrade, William Andrew
2015-08-04
In one embodiment, an apparatus, includes: a mandrel; an expansion cylinder, comprising: opposite first and second ends; an inner circumferential surface extending between the ends and characterized by an inner diameter, the inner circumferential surface defining a hollow cavity; an outer circumferential surface extending between the ends and characterized by an outer diameter that is greater than the inner diameter; and a plurality of slots extending from the inner circumferential surface to the outer circumferential surface and latitudinally oriented between the ends; and one or more base plates configured to engage one of the ends of the expansion cylinder. In another embodiment, a method includes: arranging an expansion cylinder inside a test cylinder; arranging a mandrel inside the expansion cylinder; applying a force to the mandrel for exerting a radial force on the expansion cylinder; and detecting one or more indicia of structural failure of the test cylinder.
System and method for reducing combustion dynamics and NO.sub.x in a combustor
Uhm, Jong H.; Johnson, Thomas Edward
2015-11-20
A system for reducing combustion dynamics and NO.sub.x in a combustor includes a tube bundle that extends radially across at least a portion of the combustor, wherein the tube bundle comprises an upstream surface axially separated from a downstream surface. A shroud circumferentially surrounds the upstream and downstream surfaces. A plurality of tubes extends through the tube bundle from the upstream surface through the downstream surface, wherein the downstream surface is stepped to produce tubes having different lengths through the tube bundle. A method for reducing combustion dynamics and NO.sub.x in a combustor includes flowing a working fluid through a plurality of tubes radially arranged between an upstream surface and a downstream surface of an end cap that extends radially across at least a portion of the combustor, wherein the downstream surface is stepped.
Alternatives to Antibiotics in Semen Extenders: A Review
Morrell, Jane M.; Wallgren, Margareta
2014-01-01
Antibiotics are added to semen extenders to be used for artificial insemination (AI) in livestock breeding to control bacterial contamination in semen arising during collection and processing. The antibiotics to be added and their concentrations for semen for international trade are specified by government directives. Since the animal production industry uses large quantities of semen for artificial insemination, large amounts of antibiotics are currently used in semen extenders. Possible alternatives to antibiotics are discussed, including physical removal of the bacteria during semen processing, as well as the development of novel antimicrobials. Colloid centrifugation, particularly Single Layer Centrifugation, when carried out with a strict aseptic technique, offers a feasible method for reducing bacterial contamination in semen and is a practical method for semen processing laboratories to adopt. However, none of these alternatives to antibiotics should replace strict attention to hygiene during semen collection and handling. PMID:25517429
Method of preventing leakage of a fluid along and through an insulating jacket of a thermocouple
Thermos, Anthony Constantine; Rahal, Fadi Elias
2002-01-01
A thermocouple assembly includes a thermocouple; a plurality of lead wires extending from the thermocouple; an insulating jacket extending along and enclosing the plurality of leads; and at least one internally sealed area within the insulating jacket to prevent fluid leakage along and within the insulating jacket. The invention also provides a method of preventing leakage of a fluid along and through an insulating jacket of a thermocouple including the steps of a) attaching a plurality of lead wires to a thermocouple; b) adding a heat sensitive pseudo-wire to extend along the plurality of lead wires; c) enclosing the lead wires and pseudo-wire inside an insulating jacket; d) locally heating axially spaced portions of the insulating jacket to a temperature which melts the pseudo-wire and fuses it with an interior surface of the jacket.
Pennelli, Bruno; Nagel, Karl-Otto; Crivellaro, Giuseppe; Fabiani, Claudio; Vancova, Alexandra; Mancini, Laura
2006-04-01
The European Union Water Framework Directive requires the achievement of environmental objectives for the ecological quality of water bodies. A comparable implementation of the Directive throughout member countries of the European Union is necessary to verify equal protection of surface waters. The Directive specifies that member states determine ecological quality by means of biological indices. To improve comparability of water quality assessment, this research carried out an intercalibration trial between the Slovak Saprobic Index and the Italian protocol of the Extended Biotic Index, as part of a cooperative program between Italy and the Slovak Republic. When assessing streams with no or low pollution, statistics showed similar results for both methods. In contrast, the comparison of indices was not accurate in the case of severely affected waters. Reliable conversion formulas are feasible to transform the Italian Extended Biotic Index into the Slovak Saprobic Index, and not vice versa.
NASA Technical Reports Server (NTRS)
Ledsham, W. H.; Staelin, D. H.
1978-01-01
An extended Kalman-Bucy filter has been implemented for atmospheric temperature profile retrievals from observations made using the Scanned Microwave Spectrometer (SCAMS) instrument carried on the Nimbus 6 satellite. This filter has the advantage that it requires neither stationary statistics in the underlying processes nor linear production of the observed variables from the variables to be estimated. This extended Kalman-Bucy filter has yielded significant performance improvement relative to multiple regression retrieval methods. A multi-spot extended Kalman-Bucy filter has also been developed in which the temperature profiles at a number of scan angles in a scanning instrument are retrieved simultaneously. These multi-spot retrievals are shown to outperform the single-spot Kalman retrievals.
Application of the Extended Completeness Relation to the Absorbing Boundary Condition
NASA Astrophysics Data System (ADS)
Iwasaki, Masataka; Otani, Reiji; Ito, Makoto
The strength function of the linear response by the external field is calculated in the formalism of the absorbing boundary condition (ABC). The dipole excitation of a schematic two-body system is treated in the present study. The extended completeness relation, which is assumed on the analogy of the formulation in the complex scaling method (CSM), is applied to the calculation of the strength function. The calculation of the strength function is successful in the present formalism and hence, the extended completeness relation seems to work well in the ABC formalism. The contributions from the resonance and the non-resonant continuum are also analyzed according to the decomposition of the energy levels in the extended completeness relation.
Transformation of nonlinear discrete-time system into the extended observer form
NASA Astrophysics Data System (ADS)
Kaparin, V.; Kotta, Ü.
2018-04-01
The paper addresses the problem of transforming discrete-time single-input single-output nonlinear state equations into the extended observer form, which, besides the input and output, also depends on a finite number of their past values. Necessary and sufficient conditions for the existence of both the extended coordinate and output transformations, solving the problem, are formulated in terms of differential one-forms, associated with the input-output equation, corresponding to the state equations. An algorithm for transformation of state equations into the extended observer form is proposed and illustrated by an example. Moreover, the considered approach is compared with the method of dynamic observer error linearisation, which likewise is intended to enlarge the class of systems transformable into an observer form.
Akbar, M Ali; Ali, Norhashidah Hj Mohd; Mohyud-Din, Syed Tauseef
2013-01-01
The (G'/G)-expansion method is one of the most direct and effective method for obtaining exact solutions of nonlinear partial differential equations (PDEs). In the present article, we construct the exact traveling wave solutions of nonlinear evolution equations in mathematical physics via the (2 + 1)-dimensional breaking soliton equation by using two methods: namely, a further improved (G'/G)-expansion method, where G(ξ) satisfies the auxiliary ordinary differential equation (ODE) [G'(ξ)](2) = p G (2)(ξ) + q G (4)(ξ) + r G (6)(ξ); p, q and r are constants and the well known extended tanh-function method. We demonstrate, nevertheless some of the exact solutions bring out by these two methods are analogous, but they are not one and the same. It is worth mentioning that the first method has not been exercised anybody previously which gives further exact solutions than the second one. PACS numbers 02.30.Jr, 05.45.Yv, 02.30.Ik.
Ultrasonic Porosity Estimation of Low-Porosity Ceramic Samples
NASA Astrophysics Data System (ADS)
Eskelinen, J.; Hoffrén, H.; Kohout, T.; Hæggström, E.; Pesonen, L. J.
2007-03-01
We report on efforts to extend the applicability of an airborne ultrasonic pulse-reflection (UPR) method towards lower porosities. UPR is a method that has been used successfully to estimate porosity and tortuosity of high porosity foams. UPR measures acoustical reflectivity of a target surface at two or more incidence angles. We used ceramic samples to evaluate the feasibility of extending the UPR range into low porosities (<35%). The validity of UPR estimates depends on pore size distribution and probing frequency as predicted by the theoretical boundary conditions of the used equivalent fluid model under the high-frequency approximation.
Jurling, Alden S; Fienup, James R
2014-03-01
Extending previous work by Thurman on wavefront sensing for segmented-aperture systems, we developed an algorithm for estimating segment tips and tilts from multiple point spread functions in different defocused planes. We also developed methods for overcoming two common modes for stagnation in nonlinear optimization-based phase retrieval algorithms for segmented systems. We showed that when used together, these methods largely solve the capture range problem in focus-diverse phase retrieval for segmented systems with large tips and tilts. Monte Carlo simulations produced a rate of success better than 98% for the combined approach.
Preliminary investigation of a sealed, remotely activated silver-zinc battery
NASA Technical Reports Server (NTRS)
Wheat, C. G.
1977-01-01
Methods necessary to provide a remotely activated, silver zinc battery capable of an extended activated stand while in a sealed condition were investigated. These requirements were to be accomplished in a battery package demonstrating an energy density of at least 35 watt hours per pound. Several methods of gas suppression were considered in view of the primary nature of this unit and utilized the electroplated dendritic zinc electrode. Amalgamation of the electrode provided the greatest suppression of gas at the zinc electrode. The approach to extending the activated stand capability of the remotely activated battery was through evaluation of three basic methods of remote, multi-cell activation; 1) the electrolyte manifold, 2) the gas manifold and 3) the individual cell. All three methods of activation can be incorporated into units which will meet the minimum energy density requirement.
Synthesis and optimization of four bar mechanism with six design parameters
NASA Astrophysics Data System (ADS)
Jaiswal, Ankur; Jawale, H. P.
2018-04-01
Function generation is synthesis of mechanism for specific task, involves complexity for specially synthesis above five precision of coupler points. Thus pertains to large structural error. The methodology for arriving to better precision solution is to use the optimization technique. Work presented herein considers methods of optimization of structural error in closed kinematic chain with single degree of freedom, for generating functions like log(x), ex, tan(x), sin(x) with five precision points. The equation in Freudenstein-Chebyshev method is used to develop five point synthesis of mechanism. The extended formulation is proposed and results are obtained to verify existing results in literature. Optimization of structural error is carried out using least square approach. Comparative structural error analysis is presented on optimized error through least square method and extended Freudenstein-Chebyshev method.
NASA Astrophysics Data System (ADS)
Gyftakis, Konstantinos N.; Marques Cardoso, Antonio J.; Antonino-Daviu, Jose A.
2017-09-01
The Park's Vector Approach (PVA), together with its variations, has been one of the most widespread diagnostic methods for electrical machines and drives. Regarding the broken rotor bars fault diagnosis in induction motors, the common practice is to rely on the width increase of the Park's Vector (PV) ring and then apply some more sophisticated signal processing methods. It is shown in this paper that this method can be unreliable and is strongly dependent on the magnetic poles and rotor slot numbers. To overcome this constraint, the novel Filtered Park's/Extended Park's Vector Approach (FPVA/FEPVA) is introduced. The investigation is carried out with FEM simulations and experimental testing. The results prove to satisfyingly coincide, whereas the proposed advanced FPVA method is desirably reliable.
NASA Astrophysics Data System (ADS)
Wang, Wu; Huang, Wei; Zhang, Yongjun
2018-03-01
The grid-integration of Photovoltaic-Storage System brings some undefined factors to the network. In order to make full use of the adjusting ability of Photovoltaic-Storage System (PSS), this paper puts forward a reactive power optimization model, which are used to construct the objective function based on power loss and the device adjusting cost, including energy storage adjusting cost. By using Cataclysmic Genetic Algorithm to solve this optimization problem, and comparing with other optimization method, the result proved that: the method of dynamic extended reactive power optimization this article puts forward, can enhance the effect of reactive power optimization, including reducing power loss and device adjusting cost, meanwhile, it gives consideration to the safety of voltage.
Lu, Chun-Yaung; Voter, Arthur F; Perez, Danny
2014-01-28
Deposition of solid material from solution is ubiquitous in nature. However, due to the inherent complexity of such systems, this process is comparatively much less understood than deposition from a gas or vacuum. Further, the accurate atomistic modeling of such systems is computationally expensive, therefore leaving many intriguing long-timescale phenomena out of reach. We present an atomistic/continuum hybrid method for extending the simulation timescales of dynamics at solid/liquid interfaces. We demonstrate the method by simulating the deposition of Ag on Ag (001) from solution with a significant speedup over standard MD. The results reveal specific features of diffusive deposition dynamics, such as a dramatic increase in the roughness of the film.
Hypothesis Testing Using Factor Score Regression: A Comparison of Four Methods
ERIC Educational Resources Information Center
Devlieger, Ines; Mayer, Axel; Rosseel, Yves
2016-01-01
In this article, an overview is given of four methods to perform factor score regression (FSR), namely regression FSR, Bartlett FSR, the bias avoiding method of Skrondal and Laake, and the bias correcting method of Croon. The bias correcting method is extended to include a reliable standard error. The four methods are compared with each other and…
NASA Astrophysics Data System (ADS)
Zwanziger, Ch.; Reinhold, J.
1980-02-01
The approximate LCAO MO method of Fenske and Hall has been extended to an all-election method allowing the calculation of inner-shell binding energies of molecules and their chemical shifts. Preliminary results are given.
The initial rise method extended to multiple trapping levels in thermoluminescent materials.
Furetta, C; Guzmán, S; Ruiz, B; Cruz-Zaragoza, E
2011-02-01
The well known Initial Rise Method (IR) is commonly used to determine the activation energy when only one glow peak is presented and analysed in the phosphor materials. However, when the glow peak is more complex, a wide peak and some holders appear in the structure. The application of the Initial Rise Method is not valid because multiple trapping levels are considered and then the thermoluminescent analysis becomes difficult to perform. This paper shows the case of a complex glow curve structure as an example and shows that the calculation is also possible using the IR method. The aim of the paper is to extend the well known Initial Rise Method (IR) to the case of multiple trapping levels. The IR method is applied to minerals extracted from Nopal cactus and Oregano spices because the thermoluminescent glow curve's shape suggests a trap distribution instead of a single trapping level. Copyright © 2010 Elsevier Ltd. All rights reserved.
State and force observers based on multibody models and the indirect Kalman filter
NASA Astrophysics Data System (ADS)
Sanjurjo, Emilio; Dopico, Daniel; Luaces, Alberto; Naya, Miguel Ángel
2018-06-01
The aim of this work is to present two new methods to provide state observers by combining multibody simulations with indirect extended Kalman filters. One of the methods presented provides also input force estimation. The observers have been applied to two mechanism with four different sensor configurations, and compared to other multibody-based observers found in the literature to evaluate their behavior, namely, the unscented Kalman filter (UKF), and the indirect extended Kalman filter with simplified Jacobians (errorEKF). The new methods have some more computational cost than the errorEKF, but still much less than the UKF. Regarding their accuracy, both are better than the errorEKF. The method with input force estimation outperforms also the UKF, while the method without force estimation achieves results almost identical to those of the UKF. All the methods have been implemented as a reusable MATLAB® toolkit which has been released as Open Source in https://github.com/MBDS/mbde-matlab.
Quasideterminant solutions of the extended noncommutative Kadomtsev-Petviashvili hierarchy
NASA Astrophysics Data System (ADS)
Wu, Hongxia; Liu, Jingxin; Li, Chunxia
2017-07-01
We construct a nonauto Darboux transformation for the extended noncommutative Kadomtsev-Petviashvili (ncKP) hierarchy and consequently derive its quasi-Wronskian solution. We also obtain the quasi-Wronskian solution of the ncKP equation with self-consistent sources (ncKPESCS) as a by-product. Finally, we use the direct verification method to prove the quasi-Wronskian solution of the ncKPESCS.
Steady-State Clinical Pharmacokinetics of Bupropion Extended-Release In Youths
ERIC Educational Resources Information Center
Daviss, W. Burleson; Perel, James M.; Birmaher, Boris; Rudolph, George R.; Melhem, Imad; Axelson, David A.; Brent, David A.
2006-01-01
Objective: To examine in children and adolescents the 24-hour, steady-state clinical pharmacokinetics of an extended-release (XL) formulation of bupropion (Wellbutrin XL). Method: Subjects were six male and four female patients (ages 11.5-16.2 years) prescribed bupropion XL in morning daily doses of either 150 mg (n = 5) or 300 mg (n = 5) for at…
ERIC Educational Resources Information Center
Adrian, Jose A.; Gonzalez, Mercedes; Buiza, Juan J.; Sage, Karen
2011-01-01
Purpose: To extend the use of the Spanish Computer-assisted Anomia Rehabilitation Program (CARP-2) for anomia from a single case to a group of 15 people with aphasia. To evaluate whether the treatment is active (Phase 1) for this group (Robey & Schultz, 1998), providing potential explanations as to why. Methods: Fifteen participants with chronic…
ERIC Educational Resources Information Center
Eroglu, Sebnem
2007-01-01
This article presents a new approach to index development, extending the methods used by Townsend, Mack and Lansley and Hallerod to measure deprivation in the developed world. The index combines three "objective" dimensions of deprivation (i.e. monetary, consumption and work-related), and weighs them according to subjective perceptions…
Extended Fenske-Hall LCAO MO Calculations for Mixed Methylene Dihalides
NASA Astrophysics Data System (ADS)
Ziemann, Hartmut; Paulun, Manfred
1988-10-01
The electronic structure of mixed methylene dihalides CH2XY (X, Y = F, Cl, Br. I) has been studied using extended Fenske-Hall LCAO MO method. The comparison with available photoelectron spectra confirmes previous assignments of all bands with binding energies <100 eV. The electronic structure changes occurring upon varying the halogen substituents are discussed.
High-resolution surface analysis for extended-range downscaling with limited-area atmospheric models
NASA Astrophysics Data System (ADS)
Separovic, Leo; Husain, Syed Zahid; Yu, Wei; Fernig, David
2014-12-01
High-resolution limited-area model (LAM) simulations are frequently employed to downscale coarse-resolution objective analyses over a specified area of the globe using high-resolution computational grids. When LAMs are integrated over extended time frames, from months to years, they are prone to deviations in land surface variables that can be harmful to the quality of the simulated near-surface fields. Nudging of the prognostic surface fields toward a reference-gridded data set is therefore devised in order to prevent the atmospheric model from diverging from the expected values. This paper presents a method to generate high-resolution analyses of land-surface variables, such as surface canopy temperature, soil moisture, and snow conditions, to be used for the relaxation of lower boundary conditions in extended-range LAM simulations. The proposed method is based on performing offline simulations with an external surface model, forced with the near-surface meteorological fields derived from short-range forecast, operational analyses, and observed temperatures and humidity. Results show that the outputs of the surface model obtained in the present study have potential to improve the near-surface atmospheric fields in extended-range LAM integrations.
NASA Astrophysics Data System (ADS)
Sun, Yong; Ma, Zilin; Tang, Gongyou; Chen, Zheng; Zhang, Nong
2016-07-01
Since the main power source of hybrid electric vehicle(HEV) is supplied by the power battery, the predicted performance of power battery, especially the state-of-charge(SOC) estimation has attracted great attention in the area of HEV. However, the value of SOC estimation could not be greatly precise so that the running performance of HEV is greatly affected. A variable structure extended kalman filter(VSEKF)-based estimation method, which could be used to analyze the SOC of lithium-ion battery in the fixed driving condition, is presented. First, the general lower-order battery equivalent circuit model(GLM), which includes column accumulation model, open circuit voltage model and the SOC output model, is established, and the off-line and online model parameters are calculated with hybrid pulse power characteristics(HPPC) test data. Next, a VSEKF estimation method of SOC, which integrates the ampere-hour(Ah) integration method and the extended Kalman filter(EKF) method, is executed with different adaptive weighting coefficients, which are determined according to the different values of open-circuit voltage obtained in the corresponding charging or discharging processes. According to the experimental analysis, the faster convergence speed and more accurate simulating results could be obtained using the VSEKF method in the running performance of HEV. The error rate of SOC estimation with the VSEKF method is focused in the range of 5% to 10% comparing with the range of 20% to 30% using the EKF method and the Ah integration method. In Summary, the accuracy of the SOC estimation in the lithium-ion battery cell and the pack of lithium-ion battery system, which is obtained utilizing the VSEKF method has been significantly improved comparing with the Ah integration method and the EKF method. The VSEKF method utilizing in the SOC estimation in the lithium-ion pack of HEV can be widely used in practical driving conditions.
Life extending control for rocket engines
NASA Technical Reports Server (NTRS)
Lorenzo, C. F.; Saus, J. R.; Ray, A.; Carpino, M.; Wu, M.-K.
1992-01-01
The concept of life extending control is defined. A brief discussion of current fatigue life prediction methods is given and the need for an alternative life prediction model based on a continuous functional relationship is established. Two approaches to life extending control are considered: (1) the implicit approach which uses cyclic fatigue life prediction as a basis for control design; and (2) the continuous life prediction approach which requires a continuous damage law. Progress on an initial formulation of a continuous (in time) fatigue model is presented. Finally, nonlinear programming is used to develop initial results for life extension for a simplified rocket engine (model).
Gas sampling system for reactive gas-solid mixtures
Daum, Edward D.; Downs, William; Jankura, Bryan J.; McCoury, Jr., John M.
1989-01-01
An apparatus and method for sampling a gas containing a reactive particulate solid phase flowing through a duct and for communicating a representative sample to a gas analyzer. A sample probe sheath 32 with an angular opening 34 extends vertically into a sample gas duct 30. The angular opening 34 is opposite the gas flow. A gas sampling probe 36 concentrically located within sheath 32 along with calibration probe 40 partly extend in the sheath 32. Calibration probe 40 extends further in the sheath 32 than gas sampling probe 36 for purging the probe sheath area with a calibration gas during calibration.
Gas sampling system for reactive gas-solid mixtures
Daum, Edward D.; Downs, William; Jankura, Bryan J.; McCoury, Jr., John M.
1990-01-01
An apparatus and method for sampling gas containing a reactive particulate solid phase flowing through a duct and for communicating a representative sample to a gas analyzer. A sample probe sheath 32 with an angular opening 34 extends vertically into a sample gas duct 30. The angular opening 34 is opposite the gas flow. A gas sampling probe 36 concentrically located within sheath 32 along with calibration probe 40 partly extends in the sheath 32. Calibration probe 40 extends further in the sheath 32 than gas sampling probe 36 for purging the probe sheath area with a calibration gas during calibration.
Sliding mode control for a two-joint coupling nonlinear system based on extended state observer.
Zhao, Ling; Cheng, Haiyan; Wang, Tao
2018-02-01
A two-joint coupling nonlinear system driven by pneumatic artificial muscles is introduced in this paper. A sliding mode controller with extended state observer is proposed to cope with nonlinearities and disturbances for the two-joint coupling nonlinear system. In addition, convergence of the extended state observer is presented and stability analysis of the closed-loop system is also demonstrated with the sliding mode controller. Lastly, some experiments are carried out to show the reality effectiveness of the proposed method. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.
Online Estimation of Allan Variance Coefficients Based on a Neural-Extended Kalman Filter
Miao, Zhiyong; Shen, Feng; Xu, Dingjie; He, Kunpeng; Tian, Chunmiao
2015-01-01
As a noise analysis method for inertial sensors, the traditional Allan variance method requires the storage of a large amount of data and manual analysis for an Allan variance graph. Although the existing online estimation methods avoid the storage of data and the painful procedure of drawing slope lines for estimation, they require complex transformations and even cause errors during the modeling of dynamic Allan variance. To solve these problems, first, a new state-space model that directly models the stochastic errors to obtain a nonlinear state-space model was established for inertial sensors. Then, a neural-extended Kalman filter algorithm was used to estimate the Allan variance coefficients. The real noises of an ADIS16405 IMU and fiber optic gyro-sensors were analyzed by the proposed method and traditional methods. The experimental results show that the proposed method is more suitable to estimate the Allan variance coefficients than the traditional methods. Moreover, the proposed method effectively avoids the storage of data and can be easily implemented using an online processor. PMID:25625903
Teaching Idiomatic Expressions: A Comparison of Two Instructional Methods.
ERIC Educational Resources Information Center
Rittenhouse, Robert K.; Kenyon, Patricia L.
1990-01-01
Twenty hearing-impaired adolescents were taught idiomatic expressions using captioned videotape presentations followed by classroom discussion, or by extended classroom discussions. Improvement in understanding idioms was significantly greater under the videotape method. (Author/JDD)
2014-01-01
Background Many commencing junior doctors worldwide feel ill-prepared to deal with their new responsibilities, particularly prescribing. Simulation has been widely utilised in medical education, but the use of extended multi-method simulation to emulate the junior doctor experience has rarely been reported. Methods A randomised controlled trial compared students who underwent two, week-long, extended simulations, several months apart (Intervention), with students who attended related workshops and seminars alone (Control), for a range of outcome measures. Results Eighty-four third year students in a graduate-entry medical program were randomised, and 82 completed the study. At the end of the first week, Intervention students scored a mean of 75% on a prescribing test, compared with 70% for Control students (P = 0.02) and Intervention teams initiated cardiac compressions a mean of 29.1 seconds into a resuscitation test scenario, compared with 70.1 seconds for Control teams (P < 0.01). At the beginning of the second week, an average of nine months later, a significant difference was maintained in relation to the prescribing test only (78% vs 70%, P < 0.01). At the end of the second week, significant Intervention vs Control differences were seen on knowledge and reasoning tests, a further prescribing test (71% vs 63% [P < 0.01]) and a paediatric resuscitation scenario test (252 seconds to initiation of fluid resuscitation vs 339 seconds [P = 0.05]). Conclusions The study demonstrated long-term retention of improved prescribing skills, and an immediate effect on knowledge acquisition, reasoning and resuscitation skills, from contextualising learning activities through extended multi-method simulation. PMID:24886098
Extended quantification of the generalized recurrence plot
NASA Astrophysics Data System (ADS)
Riedl, Maik; Marwan, Norbert; Kurths, Jürgen
2016-04-01
The generalized recurrence plot is a modern tool for quantification of complex spatial patterns. Its application spans the analysis of trabecular bone structures, Turing structures, turbulent spatial plankton patterns, and fractals. But, it is also successfully applied to the description of spatio-temporal dynamics and the detection of regime shifts, such as in the complex Ginzburg-Landau- equation. The recurrence plot based determinism is a central measure in this framework quantifying the level of regularities in temporal and spatial structures. We extend this measure for the generalized recurrence plot considering additional operations of symmetry than the simple translation. It is tested not only on two-dimensional regular patterns and noise but also on complex spatial patterns reconstructing the parameter space of the complex Ginzburg-Landau-equation. The extended version of the determinism resulted in values which are consistent to the original recurrence plot approach. Furthermore, the proposed method allows a split of the determinism into parts which based on laminar and non-laminar regions of the two-dimensional pattern of the complex Ginzburg-Landau-equation. A comparison of these parts with a standard method of image classification, the co-occurrence matrix approach, shows differences especially in the description of patterns associated with turbulence. In that case, it seems that the extended version of the determinism allows a distinction of phase turbulence and defect turbulence by means of their spatial patterns. This ability of the proposed method promise new insights in other systems with turbulent dynamics coming from climatology, biology, ecology, and social sciences, for example.
EXPLICIT SYMPLECTIC-LIKE INTEGRATORS WITH MIDPOINT PERMUTATIONS FOR SPINNING COMPACT BINARIES
DOE Office of Scientific and Technical Information (OSTI.GOV)
Luo, Junjie; Wu, Xin; Huang, Guoqing
2017-01-01
We refine the recently developed fourth-order extended phase space explicit symplectic-like methods for inseparable Hamiltonians using Yoshida’s triple product combined with a midpoint permuted map. The midpoint between the original variables and their corresponding extended variables at every integration step is readjusted as the initial values of the original variables and their corresponding extended ones at the next step integration. The triple-product construction is apparently superior to the composition of two triple products in computational efficiency. Above all, the new midpoint permutations are more effective in restraining the equality of the original variables and their corresponding extended ones at each integration step thanmore » the existing sequent permutations of momenta and coordinates. As a result, our new construction shares the benefit of implicit symplectic integrators in the conservation of the second post-Newtonian Hamiltonian of spinning compact binaries. Especially for the chaotic case, it can work well, but the existing sequent permuted algorithm cannot. When dissipative effects from the gravitational radiation reaction are included, the new symplectic-like method has a secular drift in the energy error of the dissipative system for the orbits that are regular in the absence of radiation, as an implicit symplectic integrator does. In spite of this, it is superior to the same-order implicit symplectic integrator in accuracy and efficiency. The new method is particularly useful in discussing the long-term evolution of inseparable Hamiltonian problems.« less
A Short-Circuit Method for Networks.
ERIC Educational Resources Information Center
Ong, P. P.
1983-01-01
Describes a method of network analysis that allows avoidance of Kirchoff's Laws (providing the network is symmetrical) by reduction to simple series/parallel resistances. The method can be extended to symmetrical alternating current, capacitance or inductance if corresponding theorems are used. Symmetric cubic network serves as an example. (JM)
Fuel injection nozzle and method of manufacturing the same
DOE Office of Scientific and Technical Information (OSTI.GOV)
Monaghan, James Christopher; Johnson, Thomas Edward; Ostebee, Heath Michael
A fuel injection head for use in a fuel injection nozzle comprises a monolithic body portion comprising an upstream face, an opposite downstream face, and a peripheral wall extending therebetween. A plurality of pre-mix tubes are integrally formed with and extend axially through the body portion. Each of the pre-mix tubes comprises an inlet adjacent the upstream face, an outlet adjacent the downstream face, and a channel extending between the inlet and the outlet. Each pre-mix tube also includes at least one fuel injector that at least partially extends outward from an exterior surface of the pre-mix tube, wherein themore » fuel injector is integrally formed with the pre-mix tube and is configured to facilitate fuel flow between the body portion and the channel.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rinaldi, I; Ludwig Maximilian University, Garching, DE; Heidelberg University Hospital, Heidelberg, DE
2015-06-15
Purpose: We present an improved method to calculate patient-specific calibration curves to convert X-ray computed tomography (CT) Hounsfield Unit (HU) to relative stopping powers (RSP) for proton therapy treatment planning. Methods: By optimizing the HU-RSP calibration curve, the difference between a proton radiographic image and a digitally reconstructed X-ray radiography (DRR) is minimized. The feasibility of this approach has previously been demonstrated. This scenario assumes that all discrepancies between proton radiography and DRR originate from uncertainties in the HU-RSP curve. In reality, external factors cause imperfections in the proton radiography, such as misalignment compared to the DRR and unfaithful representationmore » of geometric structures (“blurring”). We analyze these effects based on synthetic datasets of anthropomorphic phantoms and suggest an extended optimization scheme which explicitly accounts for these effects. Performance of the method is been tested for various simulated irradiation parameters. The ultimate purpose of the optimization is to minimize uncertainties in the HU-RSP calibration curve. We therefore suggest and perform a thorough statistical treatment to quantify the accuracy of the optimized HU-RSP curve. Results: We demonstrate that without extending the optimization scheme, spatial blurring (equivalent to FWHM=3mm convolution) in the proton radiographies can cause up to 10% deviation between the optimized and the ground truth HU-RSP calibration curve. Instead, results obtained with our extended method reach 1% or better correspondence. We have further calculated gamma index maps for different acceptance levels. With DTA=0.5mm and RD=0.5%, a passing ratio of 100% is obtained with the extended method, while an optimization neglecting effects of spatial blurring only reach ∼90%. Conclusion: Our contribution underlines the potential of a single proton radiography to generate a patient-specific calibration curve and to improve dose delivery by optimizing the HU-RSP calibration curve as long as all sources of systematic incongruence are properly modeled.« less
ERIC Educational Resources Information Center
Miller, John; Weil, Gordon
1986-01-01
The interactive feature of computers is used to incorporate a guided inquiry method of learning introductory economics, extending the Computer Assisted Instruction (CAI) method beyond drills. (Author/JDH)
Generalized second-order slip boundary condition for nonequilibrium gas flows
NASA Astrophysics Data System (ADS)
Guo, Zhaoli; Qin, Jishun; Zheng, Chuguang
2014-01-01
It is a challenging task to model nonequilibrium gas flows within a continuum-fluid framework. Recently some extended hydrodynamic models in the Navier-Stokes formulation have been developed for such flows. A key problem in the application of such models is that suitable boundary conditions must be specified. In the present work, a generalized second-order slip boundary condition is developed in which an effective mean-free path considering the wall effect is used. By combining this slip scheme with certain extended Navier-Stokes constitutive relation models, we obtained a method for nonequilibrium gas flows with solid boundaries. The method is applied to several rarefied gas flows involving planar or curved walls, including the Kramers' problem, the planar Poiseuille flow, the cylindrical Couette flow, and the low speed flow over a sphere. The results show that the proposed method is able to give satisfied predictions, indicating the good potential of the method for nonequilibrium flows.
Cowling, Thomas E; Harris, Matthew; Majeed, Azeem
2017-01-01
Background The UK government plans to extend the opening hours of general practices in England. The ‘extended hours access scheme’ pays practices for providing appointments outside core times (08:00 to 18.30, Monday to Friday) for at least 30 min per 1000 registered patients each week. Objective To determine the association between extended hours access scheme participation and patient experience. Methods Retrospective analysis of a national cross-sectional survey completed by questionnaire (General Practice Patient Survey 2013–2014); 903 357 survey respondents aged ≥18 years old and registered to 8005 general practices formed the study population. Outcome measures were satisfaction with opening hours, experience of making an appointment and overall experience (on five-level interval scales from 0 to 100). Mean differences between scheme participation groups were estimated using multilevel random-effects regression, propensity score matching and instrumental variable analysis. Results Most patients were very (37.2%) or fairly satisfied (42.7%) with the opening hours of their general practices; results were similar for experience of making an appointment and overall experience. Most general practices participated in the extended hours access scheme (73.9%). Mean differences in outcome measures between scheme participants and non-participants were positive but small across estimation methods (mean differences ≤1.79). For example, scheme participation was associated with a 1.25 (95% CI 0.96 to 1.55) increase in satisfaction with opening hours using multilevel regression; this association was slightly greater when patients could not take time off work to see a general practitioner (2.08, 95% CI 1.53 to 2.63). Conclusions Participation in the extended hours access scheme has a limited association with three patient experience measures. This questions expected impacts of current plans to extend opening hours on patient experience. PMID:27343274
NASA Astrophysics Data System (ADS)
Zwanziger, Ch.; Zwanziger, H.; Szargan, R.; Reinhold, J.
1981-08-01
It is shown that the S1s and S2p binding energies and their chemical shifts in the molecules H 2S, SO 2, SF 6 and COS obtained with hole-state calculations using an extended Fenske-Hall method are in good agreement with experimental values if mixed ( Z + 1)-basis sets are applied.
ERIC Educational Resources Information Center
Faraone, Stephen V.; Wigal, Sharon B.; Hodgkins, Paul
2007-01-01
Objective: Compare observed and forecasted efficacy of mixed amphetamine salts extended release (MAS-XR; Adderall) with atomoxetine (Strattera) in ADHD children. Method: The authors analyze data from a randomized, double-blind, multicenter, parallel-group, forced-dose-escalation laboratory school study of children ages 6 to 12 with ADHD combined…
Long-Term Effectiveness and Safety of Dexmethylphenidate Extended-Release Capsules in Adult ADHD
ERIC Educational Resources Information Center
Adler, Lenard A.; Spencer, Thomas; McGough, James J.; Jiang, Hai; Muniz, Rafael
2009-01-01
Objective: This study evaluates dexmethylphenidate extended release (d-MPH-ER) in adults with ADHD. Method: Following a 5-week, randomized, controlled, fixed-dose study of d-MPH-ER 20 to 40 mg/d, 170 adults entered a 6-month open-label extension (OLE) to assess long-term safety, with flexible dosing of 20 to 40 mg/d. Exploratory effectiveness…
ERIC Educational Resources Information Center
Vorstenbosch, Marc A. T. M.; Bouter, Shifra T.; van den Hurk, Marianne M.; Kooloos, Jan G. M.; Bolhuis, Sanneke M.; Laan, Roland F. J. M.
2014-01-01
Assessment is an important aspect of medical education because it tests students' competence and motivates them to study. Various assessment methods, with and without images, are used in the study of anatomy. In this study, we investigated the use of extended matching questions (EMQs). To gain insight into the influence of images on the…
Evaluation of Extended-wear Hearing Aid Technology for Operational Military Use
2017-07-01
for a transparent hearing protection device that could protect the hearing of normal-hearing listeners without degrading auditory situational...method, suggest that continuous noise protection is also comparable to conventional earplug devices. Behavioral testing on listeners with normal...associated with the extended-wear hearing aid could be adapted to provide long-term hearing protection for listeners with normal hearing with minimal
Extended depth of field integral imaging using multi-focus fusion
NASA Astrophysics Data System (ADS)
Piao, Yongri; Zhang, Miao; Wang, Xiaohui; Li, Peihua
2018-03-01
In this paper, we propose a new method for depth of field extension in integral imaging by realizing the image fusion method on the multi-focus elemental images. In the proposed method, a camera is translated on a 2D grid to take multi-focus elemental images by sweeping the focus plane across the scene. Simply applying an image fusion method on the elemental images holding rich parallax information does not work effectively because registration accuracy of images is the prerequisite for image fusion. To solve this problem an elemental image generalization method is proposed. The aim of this generalization process is to geometrically align the objects in all elemental images so that the correct regions of multi-focus elemental images can be exacted. The all-in focus elemental images are then generated by fusing the generalized elemental images using the block based fusion method. The experimental results demonstrate that the depth of field of synthetic aperture integral imaging system has been extended by realizing the generation method combined with the image fusion on multi-focus elemental images in synthetic aperture integral imaging system.
Cheating prevention in visual cryptography.
Hu, Chih-Ming; Tzeng, Wen-Guey
2007-01-01
Visual cryptography (VC) is a method of encrypting a secret image into shares such that stacking a sufficient number of shares reveals the secret image. Shares are usually presented in transparencies. Each participant holds a transparency. Most of the previous research work on VC focuses on improving two parameters: pixel expansion and contrast. In this paper, we studied the cheating problem in VC and extended VC. We considered the attacks of malicious adversaries who may deviate from the scheme in any way. We presented three cheating methods and applied them on attacking existent VC or extended VC schemes. We improved one cheat-preventing scheme. We proposed a generic method that converts a VCS to another VCS that has the property of cheating prevention. The overhead of the conversion is near optimal in both contrast degression and pixel expansion.
Methods for growth of relatively large step-free SiC crystal surfaces
NASA Technical Reports Server (NTRS)
Neudeck, Philip G. (Inventor); Powell, J. Anthony (Inventor)
2002-01-01
A method for growing arrays of large-area device-size films of step-free (i.e., atomically flat) SiC surfaces for semiconductor electronic device applications is disclosed. This method utilizes a lateral growth process that better overcomes the effect of extended defects in the seed crystal substrate that limited the obtainable step-free area achievable by prior art processes. The step-free SiC surface is particularly suited for the heteroepitaxial growth of 3C (cubic) SiC, AlN, and GaN films used for the fabrication of both surface-sensitive devices (i.e., surface channel field effect transistors such as HEMT's and MOSFET's) as well as high-electric field devices (pn diodes and other solid-state power switching devices) that are sensitive to extended crystal defects.
A reporter system for replication-competent gammaretroviruses: the inGluc-MLV-DERSE assay
Aloia, Amanda L.; Duffy, Lisa; Pak, Vladimir; Lee, KyeongEun; Sanchez-Martinez, Silvia; Derse, David; Heidecker, Gisela; Cornetta, Kenneth; Rein, Alan
2012-01-01
While novel retroviral vectors for use in gene-therapy products are reducing the potential for formation of replication-competent retrovirus (RCR), it remains crucial to screen products for RCR for both research and clinical purposes. For clinical grade gammaretrovirus-based vectors, RCR screening is achieved by an extended S+L− or marker rescue assay, while standard methods for replication-competent lentivirus detection are still in development. In this report, we describe a rapid and sensitive method for replication-competent gammaretrovirus detection. We used this assay to detect three members of the gammaretrovirus family and compared the sensitivity of our assay with well-established methods for retrovirus detection, including the extended S+L− assay. Results presented here demonstrate that this assay should be useful for gene-therapy product testing. PMID:22402321
NASA Astrophysics Data System (ADS)
Shiozaki, Toru; Győrffy, Werner; Celani, Paolo; Werner, Hans-Joachim
2011-08-01
The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented.
Extended use of two crossed Babinet compensators for wavefront sensing in adaptive optics
NASA Astrophysics Data System (ADS)
Paul, Lancelot; Kumar Saxena, Ajay
2010-12-01
An extended use of two crossed Babinet compensators as a wavefront sensor for adaptive optics applications is proposed. This method is based on the lateral shearing interferometry technique in two directions. A single record of the fringes in a pupil plane provides the information about the wavefront. The theoretical simulations based on this approach for various atmospheric conditions and other errors of optical surfaces are provided for better understanding of this method. Derivation of the results from a laboratory experiment using simulated atmospheric conditions demonstrates the steps involved in data analysis and wavefront evaluation. It is shown that this method has a higher degree of freedom in terms of subapertures and on the choice of detectors, and can be suitably adopted for real-time wavefront sensing for adaptive optics.
Stud hardware with self-contained stud anti-rotation feature and method of installing studs
Kartik, John S.; Richardson, William M.
1986-03-04
Disclosed herein is a method and apparatus for preventing the rotation of a stud member during preloading. The apparatus comprises a stud member having a shaft portion extending into the member to be clamped and a hex or double hex portion carrying a locking nut. Extending outward from the hex or double hex portion of the stud there is a threaded portion carrying a nut which is torqued to preload the stud. Between the locking nut and the member to be clamped is a locking ring which engages the locking nut to prevent the stud from rotating during preloading. Also disclosed is a method of preloading a stud without the use of an external restraint to prevent the stud from rotating when a torque is applied.
Federal Register 2010, 2011, 2012, 2013, 2014
2010-06-23
... Methods for Permit Applications and Reporting AGENCY: Environmental Protection Agency (EPA). ACTION... System (NPDES) program, only ``sufficiently sensitive'' analytical test methods can be used when... methods with respect to measurement of mercury and extend the approach outlined in that guidance to the...
ERIC Educational Resources Information Center
Savoye, Philippe
2009-01-01
In recent years, I started covering difference equations and z transform methods in my introductory differential equations course. This allowed my students to extend the "classical" methods for (ordinary differential equation) ODE's to discrete time problems arising in many applications.
Engineering calculations for the Delta S method of solving the orbital allotment problem
NASA Technical Reports Server (NTRS)
Kohnhorst, P. A.; Levis, C. A.; Walton, E. K.
1987-01-01
The method of calculating single-entry separation requirements for pairs of satellites is extended to include the interference on the top link as well as on the down link. Several heuristic models for analyzing the effects of shaped-beam antenna designs on required satellite separations are introduced and demonstrated with gain contour plots. The calculation of aggregate interference is extended to include the effects of up-link interference. The relationship between the single-entry C/I requirements, used in determining satellite separation constraints for various optimization procedures, and the aggregate C/I values of the resulting solutions is discussed.
Reasoning on Weighted Delegatable Authorizations
NASA Astrophysics Data System (ADS)
Ruan, Chun; Varadharajan, Vijay
This paper studies logic based methods for representing and evaluating complex access control policies needed by modern database applications. In our framework, authorization and delegation rules are specified in a Weighted Delegatable Authorization Program (WDAP) which is an extended logic program. We show how extended logic programs can be used to specify complex security policies which support weighted administrative privilege delegation, weighted positive and negative authorizations, and weighted authorization propagations. We also propose a conflict resolution method that enables flexible delegation control by considering priorities of authorization grantors and weights of authorizations. A number of rules are provided to achieve delegation depth control, conflict resolution, and authorization and delegation propagations.
Transition Pathway and Its Free-Energy Profile: A Protocol for Protein Folding Simulations
Lee, In-Ho; Kim, Seung-Yeon; Lee, Jooyoung
2013-01-01
We propose a protocol that provides a systematic definition of reaction coordinate and related free-energy profile as the function of temperature for the protein-folding simulation. First, using action-derived molecular dynamics (ADMD), we investigate the dynamic folding pathway model of a protein between a fixed extended conformation and a compact conformation. We choose the pathway model to be the reaction coordinate, and the folding and unfolding processes are characterized by the ADMD step index, in contrast to the common a priori reaction coordinate as used in conventional studies. Second, we calculate free-energy profile as the function of temperature, by employing the replica-exchange molecular dynamics (REMD) method. The current method provides efficient exploration of conformational space and proper characterization of protein folding/unfolding dynamics from/to an arbitrary extended conformation. We demonstrate that combination of the two simulation methods, ADMD and REMD, provides understanding on molecular conformational changes in proteins. The protocol is tested on a small protein, penta-peptide of met-enkephalin. For the neuropeptide met-enkephalin system, folded, extended, and intermediate sates are well-defined through the free-energy profile over the reaction coordinate. Results are consistent with those in the literature. PMID:23917881
NASA Astrophysics Data System (ADS)
Kim, Sungtae; Lee, Soogab; Kim, Kyu Hong
2008-04-01
A new numerical method toward accurate and efficient aeroacoustic computations of multi-dimensional compressible flows has been developed. The core idea of the developed scheme is to unite the advantages of the wavenumber-extended optimized scheme and M-AUSMPW+/MLP schemes by predicting a physical distribution of flow variables more accurately in multi-space dimensions. The wavenumber-extended optimization procedure for the finite volume approach based on the conservative requirement is newly proposed for accuracy enhancement, which is required to capture the acoustic portion of the solution in the smooth region. Furthermore, the new distinguishing mechanism which is based on the Gibbs phenomenon in discontinuity, between continuous and discontinuous regions is introduced to eliminate the excessive numerical dissipation in the continuous region by the restricted application of MLP according to the decision of the distinguishing function. To investigate the effectiveness of the developed method, a sequence of benchmark simulations such as spherical wave propagation, nonlinear wave propagation, shock tube problem and vortex preservation test problem are executed. Also, throughout more realistic shock-vortex interaction and muzzle blast flow problems, the utility of the new method for aeroacoustic applications is verified by comparing with the previous numerical or experimental results.
Nappi, Rossella E.; Kaunitz, Andrew M.; Bitzer, Johannes
2016-01-01
ABSTRACT Objectives: The clinical utility of extended regimen combined oral contraceptives (COCs) is increasingly being recognised. Our objective was to understand the attitudes of women and clinicians about the use of these regimens. We present the rationale for extended regimen COCs from a historical perspective, and trace their evolution and growing popularity in light of their clinical benefits. We conclude by offering potential strategies for counselling women about extended regimen COC options. Methods: We conducted a MEDLINE search to identify and summarise studies of extended regimen COCs, focusing on attitudes of women and clinicians regarding efficacy, safety/tolerability and fewer scheduled bleeding episodes and other potential benefits. Results: The body of contemporary literature on extended regimen COCs suggests that their contraceptive efficacy is comparable to that of conventional 28-day (i.e., 21/7) regimens. For women seeking contraception that allows infrequent scheduled bleeding episodes, particularly those who suffer from hormone withdrawal symptoms and cyclical symptoms (e.g., headache, mood changes, dysmenorrhoea, heavy menstrual bleeding), extended regimen COCs are an effective and safe option. Although satisfaction with extended regimen COCs in clinical trials is high, misperceptions about continuous hormone use may still limit the widespread acceptance of this approach. Conclusions: Despite the widespread acceptance among clinicians of extended regimen COCs as an effective and safe contraceptive option, these regimens are underused, likely due to a lack of awareness about their availability and utility among women. Improved patient education and counselling regarding the safety and benefits of extended regimen COCs may help women make more informed contraceptive choices. PMID:26572318
Basic or extended urine sampling to analyse urine production?
Denys, Marie-Astrid; Kapila, Vansh; Weiss, Jeffrey; Goessaert, An-Sofie; Everaert, Karel
2017-09-01
Frequency volume charts are valuable tools to objectify urine production in patients with nocturia, enuresis or nocturnal incontinence. Analyses of daytime and nighttime urine (=basic collection) or analyses of urine samples collected every 3 h (=extended collection) extend this evaluation by describing circadian patterns of water and solute diuresis (=renal function profiles). To assess intra-individual correlation and agreement between renal function profiles provided using basic and extended urine collections, and using two extended urine collections. To create a short-form of the extended collection. This prospective observational study was executed at Ghent University Hospital, Belgium. Study participation was open for anyone visiting the hospital. Participants collected one basic and two extended 24-h urine collections. Urinary levels of osmolality, sodium and creatinine were determined. There was a moderate to strong correlation between results of basic and extended urinalyses. Comparing both extended urinalyses showed a moderate correlation between the eight individual samples and a weak to strong correlation between the mean daytime and nighttime values of renal functions. Different samples could be considered as most representative for mean daytime values, while all samples collected between 03 and 05am showed the highest agreement with mean nighttime values of renal function. Since there is a good correlation and agreement between basic and extended urine collections to study the mechanisms underlying urine production, the choice of urine sampling method to evaluate urine production depends on the purpose. A nighttime-only urine sample collected between 03 and 05am may be the most practical approach. © 2017 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Hardie, Russell C.; Power, Jonathan D.; LeMaster, Daniel A.; Droege, Douglas R.; Gladysz, Szymon; Bose-Pillai, Santasri
2017-07-01
We present a numerical wave propagation method for simulating imaging of an extended scene under anisoplanatic conditions. While isoplanatic simulation is relatively common, few tools are specifically designed for simulating the imaging of extended scenes under anisoplanatic conditions. We provide a complete description of the proposed simulation tool, including the wave propagation method used. Our approach computes an array of point spread functions (PSFs) for a two-dimensional grid on the object plane. The PSFs are then used in a spatially varying weighted sum operation, with an ideal image, to produce a simulated image with realistic optical turbulence degradation. The degradation includes spatially varying warping and blurring. To produce the PSF array, we generate a series of extended phase screens. Simulated point sources are numerically propagated from an array of positions on the object plane, through the phase screens, and ultimately to the focal plane of the simulated camera. Note that the optical path for each PSF will be different, and thus, pass through a different portion of the extended phase screens. These different paths give rise to a spatially varying PSF to produce anisoplanatic effects. We use a method for defining the individual phase screen statistics that we have not seen used in previous anisoplanatic simulations. We also present a validation analysis. In particular, we compare simulated outputs with the theoretical anisoplanatic tilt correlation and a derived differential tilt variance statistic. This is in addition to comparing the long- and short-exposure PSFs and isoplanatic angle. We believe this analysis represents the most thorough validation of an anisoplanatic simulation to date. The current work is also unique that we simulate and validate both constant and varying Cn2(z) profiles. Furthermore, we simulate sequences with both temporally independent and temporally correlated turbulence effects. Temporal correlation is introduced by generating even larger extended phase screens and translating this block of screens in front of the propagation area. Our validation analysis shows an excellent match between the simulation statistics and the theoretical predictions. Thus, we think this tool can be used effectively to study optical anisoplanatic turbulence and to aid in the development of image restoration methods.
Who Gets the Job? First-Generation College Students' Perceptions of Employer Screening Methods
ERIC Educational Resources Information Center
Parks-Yancy, Rochelle; Cooley, Delonia
2018-01-01
What are first-generation college students' (FGCS) perspectives of employment screening methods? The authors investigate which methods FGCS believe are likely to cause an employer to extend a job offer and which methods yield the best pool of job applicants. Survey data were collected from undergraduate business majors. They were analyzed using…
Lee, Huisong; Choi, Seong Ho; Choi, Dong Wook
2017-01-01
Purpose The pathways of lymphatic metastases differ according to the tumor location in pancreatic cancer patients. However, it is unclear whether extended lymph node dissection (LND) is essential for all left-sided pancreatic cancer. The aim of this study is to evaluate the survival outcomes according to the extent of LND and tumor location in patients with left-sided pancreatic cancer. Methods January 2005 to December 2013, we retrospectively identified 107 patients who underwent curative intent surgery for left-sided pancreatic cancer. The left-sided pancreatic cancer was defined as a tumor located in pancreatic body or tail. The extent of LND was divided into 2 groups: extended LND and peripancreatic LND. The extended LND group included celiac and superior mesenteric LNs. Results We included 107 patients with left-sided pancreatic cancer; 59 patients with pancreatic body cancer and 48 patients with pancreatic tail cancer. The median follow-up period was 17 months (range, 3–110 months). Fifty patients with pancreatic body cancer and 30 patients with pancreatic tail cancer underwent extended LND. In patients with pancreatic body cancer, extended LND was associated with improved disease-free survival (DFS) (P = 0.010) and overall survival (P = 0.014). However, extended LND was not associated with DFS in patients with pancreatic tail cancer. Conclusion Extended LND could improve survival in patients with pancreatic body cancer. However, extended LND had no survival benefit for the treatment of pancreatic tail cancer. PMID:28580345
NASA Technical Reports Server (NTRS)
Maskew, B.
1976-01-01
A discrete singularity method has been developed for calculating the potential flow around two-dimensional airfoils. The objective was to calculate velocities at any arbitrary point in the flow field, including points that approach the airfoil surface. That objective was achieved and is demonstrated here on a Joukowski airfoil. The method used combined vortices and sources ''submerged'' a small distance below the airfoil surface and incorporated a near-field subvortex technique developed earlier. When a velocity calculation point approached the airfoil surface, the number of discrete singularities effectively increased (but only locally) to keep the point just outside the error region of the submerged singularity discretization. The method could be extended to three dimensions, and should improve nonlinear methods, which calculate interference effects between multiple wings, and which include the effects of force-free trailing vortex sheets. The capability demonstrated here would extend the scope of such calculations to allow the close approach of wings and vortex sheets (or vortices).
A New Linearized Crank-Nicolson Mixed Element Scheme for the Extended Fisher-Kolmogorov Equation
Wang, Jinfeng; Li, Hong; He, Siriguleng; Gao, Wei
2013-01-01
We present a new mixed finite element method for solving the extended Fisher-Kolmogorov (EFK) equation. We first decompose the EFK equation as the two second-order equations, then deal with a second-order equation employing finite element method, and handle the other second-order equation using a new mixed finite element method. In the new mixed finite element method, the gradient ∇u belongs to the weaker (L 2(Ω))2 space taking the place of the classical H(div; Ω) space. We prove some a priori bounds for the solution for semidiscrete scheme and derive a fully discrete mixed scheme based on a linearized Crank-Nicolson method. At the same time, we get the optimal a priori error estimates in L 2 and H 1-norm for both the scalar unknown u and the diffusion term w = −Δu and a priori error estimates in (L 2)2-norm for its gradient χ = ∇u for both semi-discrete and fully discrete schemes. PMID:23864831
A new linearized Crank-Nicolson mixed element scheme for the extended Fisher-Kolmogorov equation.
Wang, Jinfeng; Li, Hong; He, Siriguleng; Gao, Wei; Liu, Yang
2013-01-01
We present a new mixed finite element method for solving the extended Fisher-Kolmogorov (EFK) equation. We first decompose the EFK equation as the two second-order equations, then deal with a second-order equation employing finite element method, and handle the other second-order equation using a new mixed finite element method. In the new mixed finite element method, the gradient ∇u belongs to the weaker (L²(Ω))² space taking the place of the classical H(div; Ω) space. We prove some a priori bounds for the solution for semidiscrete scheme and derive a fully discrete mixed scheme based on a linearized Crank-Nicolson method. At the same time, we get the optimal a priori error estimates in L² and H¹-norm for both the scalar unknown u and the diffusion term w = -Δu and a priori error estimates in (L²)²-norm for its gradient χ = ∇u for both semi-discrete and fully discrete schemes.
Scalable Parallel Computation for Extended MHD Modeling of Fusion Plasmas
NASA Astrophysics Data System (ADS)
Glasser, Alan H.
2008-11-01
Parallel solution of a linear system is scalable if simultaneously doubling the number of dependent variables and the number of processors results in little or no increase in the computation time to solution. Two approaches have this property for parabolic systems: multigrid and domain decomposition. Since extended MHD is primarily a hyperbolic rather than a parabolic system, additional steps must be taken to parabolize the linear system to be solved by such a method. Such physics-based preconditioning (PBP) methods have been pioneered by Chac'on, using finite volumes for spatial discretization, multigrid for solution of the preconditioning equations, and matrix-free Newton-Krylov methods for the accurate solution of the full nonlinear preconditioned equations. The work described here is an extension of these methods using high-order spectral element methods and FETI-DP domain decomposition. Application of PBP to a flux-source representation of the physics equations is discussed. The resulting scalability will be demonstrated for simple wave and for ideal and Hall MHD waves.
Li, Wei; Yi, Huangjian; Zhang, Qitan; Chen, Duofang; Liang, Jimin
2012-01-01
An extended finite element method (XFEM) for the forward model of 3D optical molecular imaging is developed with simplified spherical harmonics approximation (SPN). In XFEM scheme of SPN equations, the signed distance function is employed to accurately represent the internal tissue boundary, and then it is used to construct the enriched basis function of the finite element scheme. Therefore, the finite element calculation can be carried out without the time-consuming internal boundary mesh generation. Moreover, the required overly fine mesh conforming to the complex tissue boundary which leads to excess time cost can be avoided. XFEM conveniences its application to tissues with complex internal structure and improves the computational efficiency. Phantom and digital mouse experiments were carried out to validate the efficiency of the proposed method. Compared with standard finite element method and classical Monte Carlo (MC) method, the validation results show the merits and potential of the XFEM for optical imaging. PMID:23227108
Li, Wei; Yi, Huangjian; Zhang, Qitan; Chen, Duofang; Liang, Jimin
2012-01-01
An extended finite element method (XFEM) for the forward model of 3D optical molecular imaging is developed with simplified spherical harmonics approximation (SP(N)). In XFEM scheme of SP(N) equations, the signed distance function is employed to accurately represent the internal tissue boundary, and then it is used to construct the enriched basis function of the finite element scheme. Therefore, the finite element calculation can be carried out without the time-consuming internal boundary mesh generation. Moreover, the required overly fine mesh conforming to the complex tissue boundary which leads to excess time cost can be avoided. XFEM conveniences its application to tissues with complex internal structure and improves the computational efficiency. Phantom and digital mouse experiments were carried out to validate the efficiency of the proposed method. Compared with standard finite element method and classical Monte Carlo (MC) method, the validation results show the merits and potential of the XFEM for optical imaging.
NASA Astrophysics Data System (ADS)
Heidrich, Brenden J.
Nuclear power plants produce 20 percent of the electricity generated in the U.S. Nuclear generated electricity is increasingly valuable to a utility because it can be produced at a low marginal cost and it does not release any carbon dioxide. It can also be a hedge against uncertain fossil fuel prices. The construction of new nuclear power plants in the U.S. is cautiously moving forward, restrained by high capital costs. Since 1998, nuclear utilities have been increasing the power output of their reactors by implementing extended power up-rates. Power increases of up to 20 percent are allowed under this process. The equivalent of nine large power plants has been added via extended power up-rates. These up-rates require the replacement of large capital equipment and are often performed in concert with other plant life extension activities such as license renewals. This dissertation examines the effect of these extended power up-rates on the safety performance of U.S. boiling water reactors. Licensing event reports are submitted by the utilities to the Nuclear Regulatory Commission, the federal nuclear regulator, for a wide range of abnormal events. Two methods are used to examine the effect of extended power up-rates on the frequency of abnormal events at the reactors. The Crow/AMSAA model, a univariate technique is used to determine if the implementation of an extended power up-rate affects the rate of abnormal events. The method has a long history in the aerospace industry and in the military. At a 95-percent confidence level, the rate of events requiring the submission of a licensing event report decreases following the implementation of an extended power up-rate. It is hypothesized that the improvement in performance is tied to the equipment replacement and refurbishment that is performed as part of the up-rate process. The reactor performance is also analyzed using the proportional hazards model. This technique allows for the estimation of the effects of multiple independent variables on the event rate. Both the Cox and Weibull formulations were tested. The Cox formulation is more commonly used in survival analysis because of its flexibility. The best Cox model included fixed effects at the multi-reactor site level. The Weibull parametric formulation has the same base hazard rate as the Crow/AMSAA model. This theoretical connection was confirmed through a series of tests that demonstrated both models predicted the same base hazard rates. The Weibull formulation produced a model with most of the same statistically significant variables as the Cox model. The beneficial effect of extended power up-rates was predicted in the proportional hazards models as well as the Crow/AMSAA model. The Weibull model also indicated an effect that can be traced back to a plant’s construction. Performance was also found to improve in plants that had been divested from their original owners. This research developed a consistent evaluation toolkit for nuclear power plant performance using either a univariate method that allows for simple graphical evaluation at its heart or a more complex multivariate method that includes the effects of several independent variables with data that are available from public sources. Utilities or regulators with access to proprietary data may be able to expand upon this research with additional data that is not readily available to an academic researcher. Even without access to special data, the methods developed are valuable tools in evaluating and predicting nuclear power plant reliability performance.
It's Time for a Conceptual Change.
ERIC Educational Resources Information Center
Hausfather, Samuel J.
1992-01-01
Conceptual change teaching is an instructional method that helps students modify, extend, or exchange their alternative conceptions for the appropriate scientific conceptions. Provides activities and a diagnostic test to apply the method to the concepts of heat and temperature. (MDH)
Information form the previously approved extended abstract A standardized area source measurement method based on mobile tracer correlation was used for methane emissions assessment in 52 field deployments...
Mentasti, Massimo; Tewolde, Rediat; Aslett, Martin; Harris, Simon R.; Afshar, Baharak; Underwood, Anthony; Harrison, Timothy G.
2016-01-01
Sequence-based typing (SBT), analogous to multilocus sequence typing (MLST), is the current “gold standard” typing method for investigation of legionellosis outbreaks caused by Legionella pneumophila. However, as common sequence types (STs) cause many infections, some investigations remain unresolved. In this study, various whole-genome sequencing (WGS)-based methods were evaluated according to published guidelines, including (i) a single nucleotide polymorphism (SNP)-based method, (ii) extended MLST using different numbers of genes, (iii) determination of gene presence or absence, and (iv) a kmer-based method. L. pneumophila serogroup 1 isolates (n = 106) from the standard “typing panel,” previously used by the European Society for Clinical Microbiology Study Group on Legionella Infections (ESGLI), were tested together with another 229 isolates. Over 98% of isolates were considered typeable using the SNP- and kmer-based methods. Percentages of isolates with complete extended MLST profiles ranged from 99.1% (50 genes) to 86.8% (1,455 genes), while only 41.5% produced a full profile with the gene presence/absence scheme. Replicates demonstrated that all methods offer 100% reproducibility. Indices of discrimination range from 0.972 (ribosomal MLST) to 0.999 (SNP based), and all values were higher than that achieved with SBT (0.940). Epidemiological concordance is generally inversely related to discriminatory power. We propose that an extended MLST scheme with ∼50 genes provides optimal epidemiological concordance while substantially improving the discrimination offered by SBT and can be used as part of a hierarchical typing scheme that should maintain backwards compatibility and increase discrimination where necessary. This analysis will be useful for the ESGLI to design a scheme that has the potential to become the new gold standard typing method for L. pneumophila. PMID:27280420
David, Sophia; Mentasti, Massimo; Tewolde, Rediat; Aslett, Martin; Harris, Simon R; Afshar, Baharak; Underwood, Anthony; Fry, Norman K; Parkhill, Julian; Harrison, Timothy G
2016-08-01
Sequence-based typing (SBT), analogous to multilocus sequence typing (MLST), is the current "gold standard" typing method for investigation of legionellosis outbreaks caused by Legionella pneumophila However, as common sequence types (STs) cause many infections, some investigations remain unresolved. In this study, various whole-genome sequencing (WGS)-based methods were evaluated according to published guidelines, including (i) a single nucleotide polymorphism (SNP)-based method, (ii) extended MLST using different numbers of genes, (iii) determination of gene presence or absence, and (iv) a kmer-based method. L. pneumophila serogroup 1 isolates (n = 106) from the standard "typing panel," previously used by the European Society for Clinical Microbiology Study Group on Legionella Infections (ESGLI), were tested together with another 229 isolates. Over 98% of isolates were considered typeable using the SNP- and kmer-based methods. Percentages of isolates with complete extended MLST profiles ranged from 99.1% (50 genes) to 86.8% (1,455 genes), while only 41.5% produced a full profile with the gene presence/absence scheme. Replicates demonstrated that all methods offer 100% reproducibility. Indices of discrimination range from 0.972 (ribosomal MLST) to 0.999 (SNP based), and all values were higher than that achieved with SBT (0.940). Epidemiological concordance is generally inversely related to discriminatory power. We propose that an extended MLST scheme with ∼50 genes provides optimal epidemiological concordance while substantially improving the discrimination offered by SBT and can be used as part of a hierarchical typing scheme that should maintain backwards compatibility and increase discrimination where necessary. This analysis will be useful for the ESGLI to design a scheme that has the potential to become the new gold standard typing method for L. pneumophila. Copyright © 2016 David et al.
Zhu, Hao; Sun, Yan; Rajagopal, Gunaretnam; Mondry, Adrian; Dhar, Pawan
2004-01-01
Background Many arrhythmias are triggered by abnormal electrical activity at the ionic channel and cell level, and then evolve spatio-temporally within the heart. To understand arrhythmias better and to diagnose them more precisely by their ECG waveforms, a whole-heart model is required to explore the association between the massively parallel activities at the channel/cell level and the integrative electrophysiological phenomena at organ level. Methods We have developed a method to build large-scale electrophysiological models by using extended cellular automata, and to run such models on a cluster of shared memory machines. We describe here the method, including the extension of a language-based cellular automaton to implement quantitative computing, the building of a whole-heart model with Visible Human Project data, the parallelization of the model on a cluster of shared memory computers with OpenMP and MPI hybrid programming, and a simulation algorithm that links cellular activity with the ECG. Results We demonstrate that electrical activities at channel, cell, and organ levels can be traced and captured conveniently in our extended cellular automaton system. Examples of some ECG waveforms simulated with a 2-D slice are given to support the ECG simulation algorithm. A performance evaluation of the 3-D model on a four-node cluster is also given. Conclusions Quantitative multicellular modeling with extended cellular automata is a highly efficient and widely applicable method to weave experimental data at different levels into computational models. This process can be used to investigate complex and collective biological activities that can be described neither by their governing differentiation equations nor by discrete parallel computation. Transparent cluster computing is a convenient and effective method to make time-consuming simulation feasible. Arrhythmias, as a typical case, can be effectively simulated with the methods described. PMID:15339335
Extended wave-packet model to calculate energy-loss moments of protons in matter
NASA Astrophysics Data System (ADS)
Archubi, C. D.; Arista, N. R.
2017-12-01
In this work we introduce modifications to the wave-packet method proposed by Kaneko to calculate the energy-loss moments of a projectile traversing a target which is represented in terms of Gaussian functions for the momentum distributions of electrons in the atomic shells. These modifications are introduced using the Levine and Louie technique to take into account the energy gaps corresponding to the different atomic levels of the target. We use the extended wave-packet model to evaluate the stopping power, the energy straggling, the inverse mean free path, and the ionization cross sections for protons in several targets, obtaining good agreements for all these quantities on an extensive energy range that covers low-, intermediate-, and high-energy regions. The extended wave-packet model proposed here provides a method to calculate in a very straightforward way all the significant terms of the inelastic interaction of light ions with any element of the periodic table.
NASA Astrophysics Data System (ADS)
Rewieński, M.; Lamecki, A.; Mrozowski, M.
2013-09-01
This paper proposes a technique, based on the Inexact Shift-Invert Lanczos (ISIL) method with Inexact Jacobi Orthogonal Component Correction (IJOCC) refinement, and a preconditioned conjugate-gradient (PCG) linear solver with multilevel preconditioner, for finding several eigenvalues for generalized symmetric eigenproblems. Several eigenvalues are found by constructing (with the ISIL process) an extended projection basis. Presented results of numerical experiments confirm the technique can be effectively applied to challenging, large-scale problems characterized by very dense spectra, such as resonant cavities with spatial dimensions which are large with respect to wavelengths of the resonating electromagnetic fields. It is also shown that the proposed scheme based on inexact linear solves delivers superior performance, as compared to methods which rely on exact linear solves, indicating tremendous potential of the 'inexact solve' concept. Finally, the scheme which generates an extended projection basis is found to provide a cost-efficient alternative to classical deflation schemes when several eigenvalues are computed.
Simulation of Rutherford backscattering spectrometry from arbitrary atom structures.
Zhang, S; Nordlund, K; Djurabekova, F; Zhang, Y; Velisa, G; Wang, T S
2016-10-01
Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop here a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.
NASA Technical Reports Server (NTRS)
Manning, Robert M.
2005-01-01
Solutions are derived for the generalized mutual coherence function (MCF), i.e., the second order moment, of a random wave field propagating through a random medium within the context of the extended parabolic equation. Here, "generalized" connotes the consideration of both the transverse as well as the longitudinal second order moments (with respect to the direction of propagation). Such solutions will afford a comparison between the results of the parabolic equation within the pararaxial approximation and those of the wide-angle extended theory. To this end, a statistical operator method is developed which gives a general equation for an arbitrary spatial statistical moment of the wave field. The generality of the operator method allows one to obtain an expression for the second order field moment in the direction longitudinal to the direction of propagation. Analytical solutions to these equations are derived for the Kolmogorov and Tatarskii spectra of atmospheric permittivity fluctuations within the Markov approximation.
Simulation of Rutherford backscattering spectrometry from arbitrary atom structures
NASA Astrophysics Data System (ADS)
Zhang, S.; Nordlund, K.; Djurabekova, F.; Zhang, Y.; Velisa, G.; Wang, T. S.
2016-10-01
Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop here a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.
NASA Astrophysics Data System (ADS)
Etaiw, Safaa El-din H.; Abd El-Aziz, Dina M.; Marie, Hassan; Ali, Elham
2018-05-01
Two new supramolecular coordination polymers namely {[Cd(NA)2(H2O)]}, SCP 1 and {[Pb(NA)2]}, SCP 2, (NA = nicotinate ligand) were synthesized by self-assembly method and structurally characterized by different analytical and spectroscopic methods. Single-crystal X-ray diffraction showed that SCP 1 extend in three dimensions containing bore structure where the 3D- network is constructed via interweaving zigzag chains. The Cd atom coordinates to (O4N2) atoms forming distorted-octahedral configuration. The structure of SCP 2 extend down the projection of the b-axis creating parallel zigzag 1D-chains connected by μ2-O2 atoms and H-bonds forming a holodirected lead (II) hexagonal bi-pyramid configuration. SCP 2 extend to 3D-network via coordinate and hydrogen bonds. The thermal stability, photoluminescence properties, photocatalytic activity for the degradation of methylene blue dye (MB) under UV-irradiation and sunlight irradiation were also studied.
Target modelling for SAR image simulation
NASA Astrophysics Data System (ADS)
Willis, Chris J.
2014-10-01
This paper examines target models that might be used in simulations of Synthetic Aperture Radar imagery. We examine the basis for scattering phenomena in SAR, and briefly review the Swerling target model set, before considering extensions to this set discussed in the literature. Methods for simulating and extracting parameters for the extended Swerling models are presented. It is shown that in many cases the more elaborate extended Swerling models can be represented, to a high degree of fidelity, by simpler members of the model set. Further, it is shown that it is quite unlikely that these extended models would be selected when fitting models to typical data samples.
Apparatus and method for delivering a fluid to a container
Turner, Terry D.
2002-01-01
An apparatus for delivering a fluid into a container has a carriage movably associated with a holding mechanism along an axis. A piston is attached to the carriage and a cylinder is slidably attached to the piston along the axis. The cylinder has a hole formed therein that extends along the axis. A needle extending along the axis is attached to the piston and passes through the cylinder hole. The needle has a first operative position relative to the piston when the needle is retracted within the cylinder and a second operative position relative to the piston when the needle extends from the cylinder.
King, Sheryl S; Speiser, Stephanie A; Jones, Karen L; Apgar, Gary A; Wessels, Sarah E
2006-04-01
Mannose is capable of decreasing bacterial attachment to the uterine mucosa in mares. Bacteria gain entry into the mare's uterus during breeding; therefore, a practical method to deliver mannose to the uterus is to incorporate it into semen extenders. The effect of mannose on spermatozoal motility and subsequent sperm fertilizing capability is unknown. The present study evaluated progressive spermatozoal motility in semen extender formulations incorporating mannose and assessed the fertility of mares inseminated with a mannose-containing semen extender. In Experiment 1, progressive spermatozoal motility in extender mixtures containing 0 mannose (control), 25, 37 or 49 mg/mL mannose was evaluated at 20 degrees C or 5 degrees C holding temperatures for 0, 12, 24 and 48 h post-dilution. Measures were repeated three times using five stallions of proven fertility. High concentrations of mannose in the extender affected progressive motility beyond the time and temperature effects noted in the controls. Extender containing only mannose sugar (49 mg/mL) displayed an immediate depression in progressive motility compared with controls (45.5% versus 62.9%, respectively; P<0.001). The 37 mg/mL mannose extender had a less dramatic decrease in motility (P<0.05) and only after storage at 5 degrees C for > or =12h (48.7% versus 58.0%, respectively). Extender with 25 mg/mL mannose performed no differently than the control formulation under all conditions. In Experiment 2, two groups of mares (n=11 each) were inseminated with 500 x 10(6) progressively motile spermatozoa extended in a traditional skim milk (control) extender or the 37 mg/mL mannose extender preparation. A single-cycle pregnancy rate of 72% was achieved by both groups. Present data suggest that a semen extender containing up to 37 mg/mL mannose could maintain motile spermatozoa for on-farm use and 25 mg/mL mannose concentrations preserved motility during long-term cooling. Likewise, sperm extended with up to 37 mg/mL of mannose had the same fertilizing capability as sperm in traditional extender mixtures.
Spark, Lauren C; Fjeldsoe, Brianna S; Eakin, Elizabeth G; Reeves, Marina M
2017-01-01
Background Extending contact with participants after the end of an initial weight loss intervention has been shown to lead to maintained weight loss and related behavioral change. Mobile phone text messaging (short message service, SMS) offers a low-cost and efficacious method to deliver extended contact. In this rapidly developing area, formative work is required to understand user perspectives of text message technology. An extended contact intervention delivered by text messages following an initial telephone-delivered weight loss intervention in breast cancer survivors provided this opportunity. Objective The aim of this study was to qualitatively explore women’s perceptions of participation in an extended contact intervention using text messaging to support long-term weight loss, physical activity, and dietary behavioral change. Methods Following the end of an initial 6-month randomized controlled trial of a telephone-delivered weight loss intervention (versus usual care), participants received a 6-month extended contact intervention via tailored text messages. Participant perceptions of the different types of text messages, the content, tailoring, timing, and frequency of the text messages, and the length of the intervention were assessed through semistructured interviews conducted after the extended contact intervention. The interviews were transcribed verbatim and analyzed with key themes identified. Results Participants (n=27) were a mean age of 56.0 years (SD 7.8) and mean body mass index of 30.4 kg/m2 (SD 4.2) and were at a mean of 16.1 months (SD 3.1) postdiagnosis at study baseline. Participants perceived the text messages to be useful behavioral prompts and felt the messages kept them accountable to their behavioral change goals. The individual tailoring of the text message content and schedules was a key to the acceptability of the messages; however, some women preferred the support and real-time discussion via telephone calls (during the initial intervention) compared with the text messages (during the extended contact intervention). Conclusions Text message support was perceived as acceptable for the majority of women as a way of extending intervention contact for weight loss and behavioral maintenance. Text messages supported the maintenance of healthy behaviors established in the intervention phase and kept the women accountable to their goals. A combination of telephone calls and text message support was suggested as a more acceptable option for some of the women for an extended contact intervention. PMID:28242595
Glass Fiber Used in Light Communications.
1980-11-05
narrow pulse width is extended about 4 millimicroseconds/ kilometer, the gallium arsenide emptying into the laser is extended about 0.1...glass for the core forms quartz glass fiber. Possibly the use of the chemical vapour deposition method can make low ref racting glass for the...directly from the vapour phase and reaches a very high optical homogeneity. When the temperature of the high frequency induction plasma flame is very
DOE Office of Scientific and Technical Information (OSTI.GOV)
Adams, David P.; Fishgrab, Kira L.; Greth, Karl Douglas
The present invention relates to a lateral via to provide an electrical connection to a buried conductor. In one instance, the buried conductor is a through via that extends along a first dimension, and the lateral via extends along a second dimension that is generally orthogonal to the first dimension. In another instance, the second dimension is oblique to the first dimension. Components having such lateral vias, as well as methods for creating such lateral vias are described herein.
A modal approach to piano soundboard vibroacoustic behavior.
Trévisan, Benjamin; Ege, Kerem; Laulagnet, Bernard
2017-02-01
This paper presents an analytical method for modeling the vibro-acoustic behavior of ribbed non-rectangular orthotropic clamped plates. To do this, the non-rectangular plate is embedded in an extended rectangular simply supported plate on which a spring distribution is added, blocking the extended part of the surface, and allowing the description of any inner surface shapes. The acoustical radiation of the embedded plate is ensured using the radiation impedances of the extended rectangular simply supported plate. This method is applied to an upright piano soundboard: a non-rectangular orthotropic plate ribbed in both directions by several straight stiffeners. A modal decomposition is adopted on the basis of the rectangular extended simply supported plate modes, making it possible to calculate the modes of a piano soundboard in the frequency range [0;3000] Hz, showing the different associated mode families. Likewise, the acoustical radiation is calculated using the radiation impedances of a simply supported baffled plate, demonstrating the influence of the string coupling point positions on the acoustic radiated power. The paper ends with the introduction of indicators taking into account spatial and spectral variations of the excitation depending on the notes, which add to the accuracy of the study from the musical standpoint. A parametrical study, which includes several variations of soundboard design, highlights the complexity of rendering high-pitched notes homogeneous.
Total variation-based method for radar coincidence imaging with model mismatch for extended target
NASA Astrophysics Data System (ADS)
Cao, Kaicheng; Zhou, Xiaoli; Cheng, Yongqiang; Fan, Bo; Qin, Yuliang
2017-11-01
Originating from traditional optical coincidence imaging, radar coincidence imaging (RCI) is a staring/forward-looking imaging technique. In RCI, the reference matrix must be computed precisely to reconstruct the image as preferred; unfortunately, such precision is almost impossible due to the existence of model mismatch in practical applications. Although some conventional sparse recovery algorithms are proposed to solve the model-mismatch problem, they are inapplicable to nonsparse targets. We therefore sought to derive the signal model of RCI with model mismatch by replacing the sparsity constraint item with total variation (TV) regularization in the sparse total least squares optimization problem; in this manner, we obtain the objective function of RCI with model mismatch for an extended target. A more robust and efficient algorithm called TV-TLS is proposed, in which the objective function is divided into two parts and the perturbation matrix and scattering coefficients are updated alternately. Moreover, due to the ability of TV regularization to recover sparse signal or image with sparse gradient, TV-TLS method is also applicable to sparse recovering. Results of numerical experiments demonstrate that, for uniform extended targets, sparse targets, and real extended targets, the algorithm can achieve preferred imaging performance both in suppressing noise and in adapting to model mismatch.
Extended vapor-liquid-solid growth of silicon carbide nanowires.
Rajesh, John Anthuvan; Pandurangan, Arumugam
2014-04-01
We developed an alloy catalytic method to explain extended vapor-liquid-solid (VLS) growth of silicon carbide nanowires (SiC NWs) by a simple thermal evaporation of silicon and activated carbon mixture using lanthanum nickel (LaNi5) alloy as catalyst in a chemical vapor deposition process. The LaNi5 alloy binary phase diagram and the phase relationships in the La-Ni-Si ternary system were play a key role to determine the growth parameters in this VLS mechanism. Different reaction temperatures (1300, 1350 and 1400 degrees C) were applied to prove the established growth process by experimentally. Scanning electron microscopy and transmission electron microscopy studies show that the crystalline quality of the SiC NWs increases with the temperature at which they have been synthesized. La-Ni alloyed catalyst particles observed on the top of the SiC NWs confirms that the growth process follows this extended VLS mechanism. The X-ray diffraction and confocal Raman spectroscopy analyses demonstrate that the crystalline structure of the SiC NWs was zinc blende 3C-SiC. Optical property of the SiC NWs was investigated by photoluminescence technique at room temperature. Such a new alloy catalytic method may be extended to synthesis other one-dimensional nanostructures.
DOT National Transportation Integrated Search
2004-01-01
This study investigated the use of penetrating corrosion inhibitors to extend the life of existing reinforced concrete bridge decks. The use of assisted (vacuum/pressure injection) and unassisted (diffusion) treatment methods and two inhibitors were ...
Method for reducing snap in magnetic amplifiers
NASA Technical Reports Server (NTRS)
Fischer, R. L. E.; Word, J. L.
1968-01-01
Method of reducing snap in magnetic amplifiers uses a degenerative feedback circuit consisting of a resistor and a separate winding on a magnetic core. The feedback circuit extends amplifier range by allowing it to be used at lower values of output current.
Annual Quality Assurance Conference Files by Tom Mancuso
25th Annual Quality Assurance Conference. Abstract: Learn about the NEW EPA Method 325b for Refinery Fence Line Monitoring and TO-17 Extended for Soil Gas by Tom Mancuso and Abstract: Success Using Alternate Carrier Gases for Volatile Methods
Genetic transformation in citrus: Thinking outside the box
USDA-ARS?s Scientific Manuscript database
Conventional breeding methods to incorporate resistance in citrus are very slow, due to extended juvenility from seedling trees and multiple generations needed to incorporate resistance from distant relatives. Use of transgenic methods may provide disease resistance in less time. Published protocols...
Final Rule: NESHAP for the Portland Cement Manufacturing Industry: Alternative Monitoring Method
EPA is extending its approval for the use of an alternative method to show compliance with hydrogen chloride (HCl) emissions limits in the National Emission Standards for Hazardous Air Pollutants for the Portland Cement Manufacturing Industry
The Application of Simulation Methods to Intra-Airport Landside Problems.
DOT National Transportation Integrated Search
1975-09-01
This report describes methods of analyzing the flow of people through the airport landside, which is defined as extending between the airport boundary and the arrival/departure gates. Passenger delay for specified flow and holding values is taken as ...
Christensen, Bruce W; Asa, Cheryl S; Wang, Chong; Vansandt, Lindsey; Bauman, Karen; Callahan, Margaret; Jens, Jackie K; Ellinwood, N Matthew
2011-09-15
Genetic management of Mexican gray wolves includes semen banking, but due to the small number of animals in the population and handling restrictions, improvements in semen collection and cryopreservation rely on results from studies of domestic dogs. Semen collection from wolves requires anesthesia and electroejaculation, which introduce potentially important variables into species comparisons, as dog semen is typically collected manually from conscious animals. To investigate possible effects of collection method on semen quality, we compared semen collection by the traditional manual method and by electroejaculation (EE) in a group of dogs (n = 5) to collection by EE only in wolves (n = 7). Samples were divided into two aliquots: neat or diluted in Tris/egg yolk extender, with motility evaluated at intervals up to 24 h. There were no differences (P > 0.10) in sperm motility in either neat or extended samples at 24 h from EE dogs and wolves, although motility of the wolf neat samples declined more rapidly (P < 0.05). However, there were differences (P < 0.01) between EE and manually collected dog semen in motility at 24 h, in both the neat and extended samples. Therefore, general motility patterns of dog and wolf semen collected by EE were similar, especially when diluted with a Tris/egg yolk extender, but sperm collected from dogs by EE did not maintain motility as long as manually collected samples, perhaps related to the longer exposure of EE samples to more prostate fluid. Copyright © 2011 Elsevier Inc. All rights reserved.
Method for fabricating a substrate having spaced apart microcapillaries thereon
Jarvis, Eric E.
1995-01-01
Methods for manufacturing a self-supporting substrate having a plurality of spaced-apart needles (spikes or microcapillaries) projecting upwardly from a major surface of the substrate. In a preferred method, metal is deposited onto a porous membrane such that the metal extends into the pores, after which the membrane is dissolved.
DOT National Transportation Integrated Search
2012-11-30
This report presents the results of the study to extend the useful attenuation range of the Approximate Method outlined in the American National Standard, Method for Calculation of the Absorption of Sound by the Atmosphere (ANSI S1.26-1995), an...
Advances in the Use of Neuroscience Methods in Research on Learning and Instruction
ERIC Educational Resources Information Center
De Smedt, Bert
2014-01-01
Cognitive neuroscience offers a series of tools and methodologies that allow researchers in the field of learning and instruction to complement and extend the knowledge they have accumulated through decades of behavioral research. The appropriateness of these methods depends on the research question at hand. Cognitive neuroscience methods allow…
Finding the Right Mix: Teaching Methods as Predictors for Student Progress on Learning Objectives
ERIC Educational Resources Information Center
Glover, Jacob I.
2012-01-01
This study extends existing student ratings research by exploring how teaching methods, individually and collectively, influence a minimum standard of student achievement on learning objectives and how class size impacts this influence. Twenty teaching methods were used to predict substantial or exceptional progress on each of 12 learning…
An extended algebraic reconstruction technique (E-ART) for dual spectral CT.
Zhao, Yunsong; Zhao, Xing; Zhang, Peng
2015-03-01
Compared with standard computed tomography (CT), dual spectral CT (DSCT) has many advantages for object separation, contrast enhancement, artifact reduction, and material composition assessment. But it is generally difficult to reconstruct images from polychromatic projections acquired by DSCT, because of the nonlinear relation between the polychromatic projections and the images to be reconstructed. This paper first models the DSCT reconstruction problem as a nonlinear system problem; and then extend the classic ART method to solve the nonlinear system. One feature of the proposed method is its flexibility. It fits for any scanning configurations commonly used and does not require consistent rays for different X-ray spectra. Another feature of the proposed method is its high degree of parallelism, which means that the method is suitable for acceleration on GPUs (graphic processing units) or other parallel systems. The method is validated with numerical experiments from simulated noise free and noisy data. High quality images are reconstructed with the proposed method from the polychromatic projections of DSCT. The reconstructed images are still satisfactory even if there are certain errors in the estimated X-ray spectra.
ERIC Educational Resources Information Center
Lin, Yi-Chun; Hsieh, Ya-Hui; Hou, Huei-Tse
2015-01-01
The development of a usability evaluation method for educational systems or applications, called the self-report-based sequential analysis, is described herein. The method aims to extend the current practice by proposing self-report-based sequential analysis as a new usability method, which integrates the advantages of self-report in survey…
ERIC Educational Resources Information Center
Tomas, Jose M.; Oliver, Amparo; Galiana, Laura; Sancho, Patricia; Lila, Marisol
2013-01-01
Several investigators have interpreted method effects associated with negatively worded items in a substantive way. This research extends those studies in different ways: (a) it establishes the presence of methods effects in further populations and particular scales, and (b) it examines the possible relations between a method factor associated…
Using a Three-Step Method in a Calculus Class: Extending the Worked Example
ERIC Educational Resources Information Center
Miller, David
2010-01-01
This article discusses a three-step method that was used in a college calculus course. The three-step method was developed to help students understand the course material and transition to be more independent learners. In addition, the method helped students to transfer concepts from short-term to long-term memory while lowering cognitive load.…
The extended Fourier pseudospectral time-domain method for atmospheric sound propagation.
Hornikx, Maarten; Waxler, Roger; Forssén, Jens
2010-10-01
An extended Fourier pseudospectral time-domain (PSTD) method is presented to model atmospheric sound propagation by solving the linearized Euler equations. In this method, evaluation of spatial derivatives is based on an eigenfunction expansion. Evaluation on a spatial grid requires only two spatial points per wavelength. Time iteration is done using a low-storage optimized six-stage Runge-Kutta method. This method is applied to two-dimensional non-moving media models, one with screens and one for an urban canyon, with generally high accuracy in both amplitude and phase. For a moving atmosphere, accurate results have been obtained in models with both a uniform and a logarithmic wind velocity profile over a rigid ground surface and in the presence of a screen. The method has also been validated for three-dimensional sound propagation over a screen. For that application, the developed method is in the order of 100 times faster than the second-order-accurate FDTD solution to the linearized Euler equations. The method is found to be well suited for atmospheric sound propagation simulations where effects of complex meteorology and straight rigid boundary surfaces are to be investigated.
Cao, Hui; Yan, Xingyu; Li, Yaojiang; Wang, Yanxia; Zhou, Yan; Yang, Sanchun
2014-01-01
Quantitative analysis for the flue gas of natural gas-fired generator is significant for energy conservation and emission reduction. The traditional partial least squares method may not deal with the nonlinear problems effectively. In the paper, a nonlinear partial least squares method with extended input based on radial basis function neural network (RBFNN) is used for components prediction of flue gas. For the proposed method, the original independent input matrix is the input of RBFNN and the outputs of hidden layer nodes of RBFNN are the extension term of the original independent input matrix. Then, the partial least squares regression is performed on the extended input matrix and the output matrix to establish the components prediction model of flue gas. A near-infrared spectral dataset of flue gas of natural gas combustion is used for estimating the effectiveness of the proposed method compared with PLS. The experiments results show that the root-mean-square errors of prediction values of the proposed method for methane, carbon monoxide, and carbon dioxide are, respectively, reduced by 4.74%, 21.76%, and 5.32% compared to those of PLS. Hence, the proposed method has higher predictive capabilities and better robustness.
Wei, Wenjia; Heinze, Stefanie; Gerstner, Doris G.; Walser, Sandra M.; Twardella, Dorothee; Reiter, Christina; Weilnhammer, Veronika; Perez-Alvarez, Carmelo; Steffens, Thomas; Herr, Caroline E.W.
2017-01-01
Background: Studies investigating leisure noise effect on extended high frequency hearing are insufficient and they have inconsistent results. The aim of this study was to investigate if extended high-frequency hearing threshold shift is related to audiometric notch, and if total leisure noise exposure is associated with extended high-frequency hearing threshold shift. Materials and Methods: A questionnaire of the Ohrkan cohort study was used to collect information on demographics and leisure time activities. Conventional and extended high-frequency audiometry was performed. We did logistic regression between extended high-frequency hearing threshold shift and audiometric notch as well as between total leisure noise exposure and extended high-frequency hearing threshold shift. Potential confounders (sex, school type, and firecrackers) were included. Results: Data from 278 participants (aged 18–23 years, 53.2% female) were analyzed. Associations between hearing threshold shift at 10, 11.2, 12.5, and 14 kHz with audiometric notch were observed with a higher prevalence of threshold shift at the four frequencies, compared to the notch. However, we found no associations between total leisure noise exposure and hearing threshold shift at any extended high frequency. Conclusion: This exploratory analysis suggests that while extended high-frequency hearing threshold shifts are not related to total leisure noise exposure, they are strongly associated with audiometric notch. This leads us to further explore the hypothesis that extended high-frequency threshold shift might be indicative of the appearance of audiometric notch at a later time point, which can be investigated in the future follow-ups of the Ohrkan cohort. PMID:29319010
Ertefaie, Ashkan; Lucy, Xi; Lynch, Kevin G.; McKay, James R.; Oslin, David; Almirall, Daniel
2016-01-01
Aims To demonstrate how Q-learning, a novel data analysis method, can be used with data from a sequential, multiple assignment, randomized trial (SMART) to construct empirically an adaptive treatment strategy (ATS) that is more tailored than the ATSs already embedded in a SMART. Method We use Q-learning with data from the Extending Treatment Effectiveness of Naltrexone (ExTENd) SMART (N=250) to construct empirically an ATS employing naltrexone, behavioral intervention, and telephone disease management to reduce alcohol consumption over 24 weeks in alcohol dependent individuals. Results Q-learning helped to identify a subset of individuals who, despite showing early signs of response to naltrexone, require additional treatment to maintain progress. Conclusions Q-learning can inform the development of more cost-effective, stepped-care strategies for treating substance use disorders. PMID:28029718
Lee, Kiju; Wang, Yunfeng; Chirikjian, Gregory S
2007-11-01
Over the past several decades a number of O(n) methods for forward and inverse dynamics computations have been developed in the multi-body dynamics and robotics literature. A method was developed in 1974 by Fixman for O(n) computation of the mass-matrix determinant for a serial polymer chain consisting of point masses. In other recent papers, we extended this method in order to compute the inverse of the mass matrix for serial chains consisting of point masses. In the present paper, we extend these ideas further and address the case of serial chains composed of rigid-bodies. This requires the use of relatively deep mathematics associated with the rotation group, SO(3), and the special Euclidean group, SE(3), and specifically, it requires that one differentiates functions of Lie-group-valued argument.
Compact illumination optic with three freeform surfaces for improved beam control.
Sorgato, Simone; Mohedano, Rubén; Chaves, Julio; Hernández, Maikel; Blen, José; Grabovičkić, Dejan; Benítez, Pablo; Miñano, Juan Carlos; Thienpont, Hugo; Duerr, Fabian
2017-11-27
Multi-chip and large size LEDs dominate the lighting market in developed countries these days. Nevertheless, a general optical design method to create prescribed intensity patterns for this type of extended sources does not exist. We present a design strategy in which the source and the target pattern are described by means of "edge wavefronts" of the system. The goal is then finding an optic coupling these wavefronts, which in the current work is a monolithic part comprising up to three freeform surfaces calculated with the simultaneous multiple surface (SMS) method. The resulting optic fully controls, for the first time, three freeform wavefronts, one more than previous SMS designs. Simulations with extended LEDs demonstrate improved intensity tailoring capabilities, confirming the effectiveness of our method and suggesting that enhanced performance features can be achieved by controlling additional wavefronts.
Zhao, Hongbo; Chen, Yuying; Feng, Wenquan; Zhuang, Chen
2018-05-25
Inter-satellite links are an important component of the new generation of satellite navigation systems, characterized by low signal-to-noise ratio (SNR), complex electromagnetic interference and the short time slot of each satellite, which brings difficulties to the acquisition stage. The inter-satellite link in both Global Positioning System (GPS) and BeiDou Navigation Satellite System (BDS) adopt the long code spread spectrum system. However, long code acquisition is a difficult and time-consuming task due to the long code period. Traditional folding methods such as extended replica folding acquisition search technique (XFAST) and direct average are largely restricted because of code Doppler and additional SNR loss caused by replica folding. The dual folding method (DF-XFAST) and dual-channel method have been proposed to achieve long code acquisition in low SNR and high dynamic situations, respectively, but the former is easily affected by code Doppler and the latter is not fast enough. Considering the environment of inter-satellite links and the problems of existing algorithms, this paper proposes a new long code acquisition algorithm named dual-channel acquisition method based on the extended replica folding algorithm (DC-XFAST). This method employs dual channels for verification. Each channel contains an incoming signal block. Local code samples are folded and zero-padded to the length of the incoming signal block. After a circular FFT operation, the correlation results contain two peaks of the same magnitude and specified relative position. The detection process is eased through finding the two largest values. The verification takes all the full and partial peaks into account. Numerical results reveal that the DC-XFAST method can improve acquisition performance while acquisition speed is guaranteed. The method has a significantly higher acquisition probability than folding methods XFAST and DF-XFAST. Moreover, with the advantage of higher detection probability and lower false alarm probability, it has a lower mean acquisition time than traditional XFAST, DF-XFAST and zero-padding.
Arvidson, Cindy G.; Green, Wrenetta D.; Allen, Renoulte; Reznich, Christopher; Mavis, Brian; Osuch, Janet R.; Lipscomb, Wanda; O'Donnell, John; Brewer, Patricia
2015-01-01
Purpose Many students in the Michigan State University College of Human Medicine (CHM) are non-traditional with unique needs and experiences. To meet these needs, in 1988 CHM developed a structured Extended Curriculum Program (ECP), which allows students to take longer than 2 years to complete the preclinical curriculum. This work examined the reasons why students extended their programs, their perceptions of that experience, and the outcome with respect to satisfaction and success in their careers after graduation. Methods The analysis used data from the college database, follow-up surveys of residency directors and graduates, surveys of graduates who extended, and the AMA Physician Masterfile. Results Graduates who responded to the survey were evenly split between those who extended for academic reasons and those who extended for other reasons. Although feelings about extending were mixed at the time of extension, nearly all respondents agreed that extending was the right decision in the long run. Extended students continued to face academic challenges having lower basic science averages, lower USMLE Step 1 and 2 first attempt pass rates, and more instances of repeated clerkships compared to those who did not extend, however, most were able to secure a residency in the specialty they desired and had comparable career satisfaction ratings. Conclusions The ECP allows some students to complete medical school who otherwise may not have been able to do so. This analysis has provided valuable information that was used to improve the program, allowing CHM to continue its mission of training a diverse set of students to be exemplary physicians. PMID:26381089
Bitensky, Mark W.; Yoshida, Tatsuro
1997-01-01
Method using oxygen removal for extending the useful shelf-life of refrigerated red blood cells. A cost-effective, 4.degree. C. storage procedure that preserves red cell quality and prolongs post-transfusion in vivo survival is described. Preservation of adenosine triphosphate levels and reduction in hemolysis and in membrane vesicle production of red blood cells stored at 4.degree. C. for prolonged periods of time is achieved by removing oxygen therefrom at the time of storage; in particular, by flushing with an inert gas. Adenosine triphosphate levels of the stored red blood cells are boosted in some samples by addition of ammonium phosphate.
Bitensky, M.W.; Yoshida, Tatsuro
1997-04-29
A method is disclosed using oxygen removal for extending the useful shelf-life of refrigerated red blood cells. A cost-effective, 4 C storage procedure that preserves red cell quality and prolongs post-transfusion in vivo survival is described. Preservation of adenosine triphosphate levels and reduction in hemolysis and in membrane vesicle production of red blood cells stored at 4 C for prolonged periods of time is achieved by removing oxygen from the red blood cells at the time of storage; in particular, by flushing with an inert gas. Adenosine triphosphate levels of the stored red blood cells are boosted in some samples by addition of ammonium phosphate. 4 figs.
Apparatus and systems for measuring elongation of objects, methods of measuring, and reactor
Rempe, Joy L [Idaho Falls, ID; Knudson, Darrell L [Firth, ID; Daw, Joshua E [Idaho Falls, ID; Condie, Keith G [Idaho Falls, ID; Stoots, Carl M [Idaho Falls, ID
2011-11-29
Elongation measurement apparatuses and systems comprise at least two Linear Variable Differential Transformers (LVDTs) with a push rod coupled to each of the at least two LVDTs at one longitudinal end thereof. At least one push rod extends to a base and is coupled thereto at an opposing longitudinal end, and at least one other push rod extends to a location spaced apart from the base and is configured to receive a sample between an opposing longitudinal end of the at least one other push rod and the base. Nuclear reactors comprising such apparatuses and systems and methods of measuring elongation of a material are also disclosed.
Constraining f(R) theories with cosmography
NASA Astrophysics Data System (ADS)
Anabella Teppa Pannia, Florencia; Esteban Perez Bergliaffa, Santiago
2013-08-01
A method to set constraints on the parameters of extended theories of gravitation is presented. It is based on the comparison of two series expansions of any observable that depends on H(z). The first expansion is of the cosmographical type, while the second uses the dependence of H with z furnished by a given type of extended theory. When applied to f(R) theories together with the redshift drift, the method yields limits on the parameters of two examples (the theory of Hu and Sawicki [1], and the exponential gravity introduced by Linder [2]) that are compatible with or more stringent than the existing ones, as well as a limit for a previously unconstrained parameter.
Phased Array Mirror Extendible Large Aperture (PAMELA) Optics Adjustment
NASA Technical Reports Server (NTRS)
1995-01-01
Scientists at Marshall's Adaptive Optics Lab demonstrate the Wave Front Sensor alignment using the Phased Array Mirror Extendible Large Aperture (PAMELA) optics adjustment. The primary objective of the PAMELA project is to develop methods for aligning and controlling adaptive optics segmented mirror systems. These systems can be used to acquire or project light energy. The Next Generation Space Telescope is an example of an energy acquisition system that will employ segmented mirrors. Light projection systems can also be used for power beaming and orbital debris removal. All segmented optical systems must be adjusted to provide maximum performance. PAMELA is an on going project that NASA is utilizing to investigate various methods for maximizing system performance.
Methods of fabricating a conductor assembly having a curvilinear arcuate shape
Meinke, Rainer [Melbourne, FL
2011-08-23
A method for manufacture of a conductor assembly along a curvilinear axis. The assembly may be of the type which, when conducting current, generates a magnetic field or in which, in the presence of a changing magnetic field, a voltage is induced. In one example, the assembly includes a structure having a curved shape extending along the axis. A surface of the structure is positioned for formation of a channel along the curved shape. The structure is rotated about a second axis. While rotating the structure, a channel is formed in the surface that results in a helical shape in the structure. The channel extends both around and along the first axis.
Optimum aerodynamic design via boundary control
NASA Technical Reports Server (NTRS)
Jameson, Antony
1994-01-01
These lectures describe the implementation of optimization techniques based on control theory for airfoil and wing design. In previous studies it was shown that control theory could be used to devise an effective optimization procedure for two-dimensional profiles in which the shape is determined by a conformal transformation from a unit circle, and the control is the mapping function. Recently the method has been implemented in an alternative formulation which does not depend on conformal mapping, so that it can more easily be extended to treat general configurations. The method has also been extended to treat the Euler equations, and results are presented for both two and three dimensional cases, including the optimization of a swept wing.
Strategies for improved efficiency when implementing plant vitrification techniques
USDA-ARS?s Scientific Manuscript database
Cryopreservation technologies allow vegetatively propagated genetic resources to be preserved for extended lengths of time. Once successful methods have been established, there is a significant time investment to cryopreserve gene bank collections. Our research seeks to identify methods that could i...
Production of hydrocarbons from hydrates. [DOE patent application
McGuire, P.L.
1981-09-08
An economical and safe method of producing hydrocarbons (or natural gas) from in situ hydrocarbon-containing hydrates is given. Once started, the method will be self-driven and will continue producing hydrocarbons over an extended period of time (i.e., many days).
ERIC Educational Resources Information Center
Schaeffer, Oliver A.
1973-01-01
Discusses methods used in determination of absolute isotopic ages for the returned lunar material, including the uranium-lead, rubidium-strontium, and argon 40-argon 39 ratio methods. Indicates that there would exist a basin-forming bombardment period for the Moon extending over at least 300 million years. (CC)
New approach to radar rainfall measurement
NASA Technical Reports Server (NTRS)
Atlas, David; Rosenfeld, Daniel; Wolff, David B.
1991-01-01
This paper integrates individual studies of the Area-Time Integrals method and climatic tuning methods. The latter is extended to a new approach which generalizes the technique so that it is no longer restricted to power law relations between effective reflectivity and rain rate.
Barriers and Incentives to Computer Usage in Teaching
1988-09-29
classes with one or two computers. Research Methods The two major methods of data-gathering employed in this study were intensive and extensive classroom ... observation and repeated extended interviews with students and teachers. Administrators were also interviewed when appropriate. Classroom observers used
Franklin, Ashley D; Waddell, William T; Goodrowe, Karen L
2018-08-01
Cryopreserving genetic resources is becoming increasingly important for species management. In the zoo-based red wolf (Canis rufus) population, inbreeding continues to increase in the absence of new founders. Through banking sperm, we preserve genetic diversity and create the ability to decrease inbreeding accumulation in the future. The quality and quantity of banked sperm can be affected by cryopreservation media and semen collection methods. This study's objectives were to further optimize semen extender used for red wolf sperm cryopreservation, investigate effects of post-thaw holding temperature, and to determine if urethral catheterization is an effective method for semen collection in this species. Semen collection via electroejaculation (EE) was performed on 39 adult red wolf males (ages 1 to 11) from 15 institutions. Urethral catheterization (UC) was attempted on a subset (n = 14) of those males, prior to EE. Thirteen different semen extenders were used for cryopreservation, which varied in osmolarity (HI or NORM), sugar source (glucose, fructose, or a combination), and cryoprotectant (glycerol or DMSO). Significant decreases in percent motility, forward progressive status (FPS), and acrosomal integrity were observed over time across all extenders (P < 0.0001). Among the extender components examined, post-thaw sperm motility and FPS were lower in DMSO versus glycerol based treatments (P < 0.005). Therefore, DMSO should be considered unsuitable as a cryoprotectant when freezing red wolf sperm. Effects of osmolarity and sugar source were minimal and temporally variable, however notably, a higher percentage of morphologically normal sperm were observed in the fructose-based extenders compared to glucose-based extenders post-thaw (P < 0.05). Additionally, post-thaw sperm motility and FPS declined more rapidly in samples maintained at 37 °C compared to samples held at room temperature (P < 0.05). Greater volumes of semen were collected using EE compared to UC (P = 0.041), and sperm samples collected using EE also had greater motility and FPS (P < 0.05). Additionally, though no gross morphological differences were observed, there were fewer sperm with intact acrosomes in the samples collected via UC (P = 0.0443). Thus, UC should not be considered sufficient for semen collection in red wolves when the desired fate of sperm is cryopreservation and/or AI. However, UC does provide an opportunity for a basic reproductive evaluation of a red wolf male. Copyright © 2018 Elsevier Inc. All rights reserved.
Determining the inventory impact of extended-shelf-life platelets with a network simulation model.
Blake, John T
2017-12-01
The regulatory shelf life for platelets (PLTs) in many jurisdictions is 5 days. PLT shelf life can be extended to 7 days with an enhanced bacterial detection algorithm. Enhanced testing, however, comes at a cost, which may be offset by reductions in wastage due to longer shelf life. This article describes a method for estimating systemwide reductions in PLT outdates after PLT shelf life is extended. A simulation was used to evaluate the impact of an extended PLT shelf life within a national blood network. A network model of the Canadian Blood Services PLT supply chain was built and validated. PLT shelf life was extended from 5 days to 6, 7, and 8 days and runs were completed to determine the impact on outdates. Results suggest that, in general, a 16.3% reduction in PLT wastage can be expected with each additional day that PLT shelf life is extended. Both suppliers and hospitals will experience fewer outdating units, but wastage will decrease at a faster rate at hospitals. No effect was seen by blood group, but there was some evidence that supplier site characteristics influences both the number of units wasted and the site's ability to benefit from extended-shelf-life PLTs. Extended-shelf-life PLTs will reduce wastage within a blood supply chain. At 7 days, an improvement of 38% reduction in wastage can be expected with outdates being equally distributed between suppliers and hospital customers. © 2017 AABB.
Nonlinear Symplectic Attitude Estimation for Small Satellites
2006-08-01
Vol. 45, No. 3, 2000, pp. 477-482. 7 Gelb, A., editor, Applied Optimal Estimation, The M.I.T. Press, Cambridge, MA, 1974. ’ Brown , R. G. and Hwang , P. Y...demonstrate orders of magnitude improvement in state and constants of motion estimation when compared to extended and iterative Kalman methods...satellites have fallen into the former category, including the ubiquitous Extended Kalman Filter (EKF).2 - 9 While this approach has been used
Fusion of Low-Cost Imaging and Inertial Sensors for Navigation
2007-01-01
an Integrated GPS/MEMS Inertial Navigation Pack- age. In Proceedings of ION GNSS 2004, pp. 825–832, September 2004. [3] R. G. Brown and P. Y. Hwang ...track- ing, with no a priori knowledge is provided in [13]. An on- line (Extended Kalman Filter-based) method for calculat- ing a trajectory by tracking...transformation, effectively constraining the resulting correspondence search space. The algorithm was incorporated into an extended Kalman filter and
Jerrold E. Winandy
2000-01-01
One of the most, if not the most, efficient methods of extending our existing forest resource is to prolong the service life of wood currently in-service by using those existing structures to meet our future needs (Hamilton and Winandy 1998). It is currently estimated that over 7 x 109 m3 (3 trillion bd. ft) of wood is currently in service within the United States of...
ERIC Educational Resources Information Center
Kouimtsidis, Christos; Scior, Katrina; Baio, Gianluca; Hunter, Rachael; Pezzoni, Vittoria; Hassiotis, Angela
2017-01-01
Background: Extended brief interventions for alcohol misuse are effective in the general population. The process of manualising the first ever such intervention for people with mild to moderate intellectual disabilities in the UK is the focus of this study. Methods: The manual was an adaptation of existing manuals based on Motivational Enhancement…
NASA Technical Reports Server (NTRS)
Penskiy, Ivan (Inventor); Charalambides, Alexandros (Inventor); Bergbreiter, Sarah (Inventor)
2018-01-01
At least one tactile sensor includes an insulating layer and a conductive layer formed on the surface of the insulating layer. The conductive layer defines at least one group of flexible projections extending orthogonally from the surface of the insulating layer. The flexible projections include a major projection extending a distance orthogonally from the surface and at least one minor projection that is adjacent to and separate from the major projection wherein the major projection extends a distance orthogonally that is greater than the distance that the minor projection extends orthogonally. Upon a compressive force normal to, or a shear force parallel to, the surface, the major projection and the minor projection flex such that an electrical contact resistance is formed between the major projection and the minor projection. A capacitive tactile sensor is also disclosed that responds to the normal and shear forces.
Localized-to-extended-states transition below the Fermi level
NASA Astrophysics Data System (ADS)
Tito, M. A.; Pusep, Yu. A.
2018-05-01
Time-resolved photoluminescence is employed to examine a transition from localized to extended electron states below the Fermi level in multiple narrow quantum well GaAs/AlGaAs heterostructures, where disorder was generated by interface roughness. Such a transition resembles the metal-insulator transition profoundly investigated by electric transport measurements. An important distinction distinguishes the localized-to-extended-states transition studied here: it takes place below the Fermi level in an electron system with a constant concentration, which implies unchanging Coulomb correlations. Moreover, for such a localized-to-extended-states transition the temperature is shown to be irrelevant. In the insulating regime the magnetic field was found to cause an additional momentum relaxation which considerably enhanced the recombination rate. Thus, we propose a method to explore the evolution of the localized electron states in a system with a fixed disorder and Coulomb interaction.
Building and testing models with extended Higgs sectors
NASA Astrophysics Data System (ADS)
Ivanov, Igor P.
2017-07-01
Models with non-minimal Higgs sectors represent a mainstream direction in theoretical exploration of physics opportunities beyond the Standard Model. Extended scalar sectors help alleviate difficulties of the Standard Model and lead to a rich spectrum of characteristic collider signatures and astroparticle consequences. In this review, we introduce the reader to the world of extended Higgs sectors. Not pretending to exhaustively cover the entire body of literature, we walk through a selection of the most popular examples: the two- and multi-Higgs-doublet models, as well as singlet and triplet extensions. We will show how one typically builds models with extended Higgs sectors, describe the main goals and the challenges which arise on the way, and mention some methods to overcome them. We will also describe how such models can be tested, what are the key observables one focuses on, and illustrate the general strategy with a subjective selection of results.
Monolithic fuel injector and related manufacturing method
Ziminsky, Willy Steve [Greenville, SC; Johnson, Thomas Edward [Greenville, SC; Lacy, Benjamin [Greenville, SC; York, William David [Greenville, SC; Stevenson, Christian Xavier [Greenville, SC
2012-05-22
A monolithic fuel injection head for a fuel nozzle includes a substantially hollow vesicle body formed with an upstream end face, a downstream end face and a peripheral wall extending therebetween, an internal baffle plate extending radially outwardly from a downstream end of the bore, terminating short of the peripheral wall, thereby defining upstream and downstream fuel plenums in the vesicle body, in fluid communication by way of a radial gap between the baffle plate and the peripheral wall. A plurality of integral pre-mix tubes extend axially through the upstream and downstream fuel plenums in the vesicle body and through the baffle plate, with at least one fuel injection hole extending between each of the pre-mix tubes and the upstream fuel plenum, thereby enabling fuel in the upstream plenum to be injected into the plurality of pre-mix tubes. The fuel injection head is formed by direct metal laser sintering.
RESOLVE: A new algorithm for aperture synthesis imaging of extended emission in radio astronomy
NASA Astrophysics Data System (ADS)
Junklewitz, H.; Bell, M. R.; Selig, M.; Enßlin, T. A.
2016-02-01
We present resolve, a new algorithm for radio aperture synthesis imaging of extended and diffuse emission in total intensity. The algorithm is derived using Bayesian statistical inference techniques, estimating the surface brightness in the sky assuming a priori log-normal statistics. resolve estimates the measured sky brightness in total intensity, and the spatial correlation structure in the sky, which is used to guide the algorithm to an optimal reconstruction of extended and diffuse sources. During this process, the algorithm succeeds in deconvolving the effects of the radio interferometric point spread function. Additionally, resolve provides a map with an uncertainty estimate of the reconstructed surface brightness. Furthermore, with resolve we introduce a new, optimal visibility weighting scheme that can be viewed as an extension to robust weighting. In tests using simulated observations, the algorithm shows improved performance against two standard imaging approaches for extended sources, Multiscale-CLEAN and the Maximum Entropy Method.
Extended duration Orbiter life support definition
NASA Technical Reports Server (NTRS)
Kleiner, G. N.; Thompson, C. D.
1978-01-01
Extending the baseline seven-day Orbiter mission to 30 days or longer and operating with a solar power module as the primary source for electrical power requires changes to the existing environmental control and life support (ECLS) system. The existing ECLS system imposes penalties on longer missions which limit the Orbiter capabilities and changes are required to enhance overall mission objectives. Some of these penalties are: large quantities of expendables, the need to dump or store large quantities of waste material, the need to schedule fuel cell operation, and a high landing weight penalty. This paper presents the study ground rules and examines the limitations of the present ECLS system against Extended Duration Orbiter mission requirements. Alternate methods of accomplishing ECLS functions for the Extended Duration Orbiter are discussed. The overall impact of integrating these options into the Orbiter are evaluated and significant Orbiter weight and volume savings with the recommended approaches are described.
Tracking and Control of Gas Turbine Engine Component Damage/Life
NASA Technical Reports Server (NTRS)
Jaw, Link C.; Wu, Dong N.; Bryg, David J.
2003-01-01
This paper describes damage mechanisms and the methods of controlling damages to extend the on-wing life of critical gas turbine engine components. Particularly, two types of damage mechanisms are discussed: creep/rupture and thermo-mechanical fatigue. To control these damages and extend the life of engine hot-section components, we have investigated two methodologies to be implemented as additional control logic for the on-board electronic control unit. This new logic, the life-extending control (LEC), interacts with the engine control and monitoring unit and modifies the fuel flow to reduce component damages in a flight mission. The LEC methodologies were demonstrated in a real-time, hardware-in-the-loop simulation. The results show that LEC is not only a new paradigm for engine control design, but also a promising technology for extending the service life of engine components, hence reducing the life cycle cost of the engine.
Bubbles in extended inflation and multi-production of universes
NASA Astrophysics Data System (ADS)
Sakai, Nobuyuki; Maeda, Kei-ichi
Developing the thin-wall method of Israel, we present a formalism to investigate bubble dynamics in generalized Einstein theories. We derive the equations of motion for a bubble, finding that the space-time inside a bubble is always inhomogeneous. Applying this formalism to extended inflation, we find the following two results: (1) Any true vacuum bubble expands, contrary to the results of Goldwirth-Zaglauer, who claim that bubbles created initially later collapse. We show that their initial conditions for collapsing bubbles are physically inconsistent. (2) Concerning the global space-time structure of the Universe in extended inflation, we show that worm-holes are produced as in old inflation, resulting in the multi-production of universes.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sankar, I. V., E-mail: ivshankar27@gmail.com; Chatterjee, Ashok, E-mail: ivshankar27@gmail.com
2014-04-24
The two-dimensional extended Holstein-Hubbard model (EHH) has been considered at strong correlation regime in the non-half-filled band case to understand the self-trapping transition of electrons in strongly correlated electron system. We have used the method of optimized canonical transformations to transform an EHH model into an effective extended Hubbard (EEH) model. In the strong on-site correlation limit an EH model can be transformed into a t-J model which is finally solved using Hartree-Fock approximation (HFA). We found that, for non-half-filled band case, the transition is abrupt in the adiabatic region whereas it is continuous in the anti-adiabatic region.
Extended polarization in 3rd order SCC-DFTB from chemical potential equilization
Kaminski, Steve; Giese, Timothy J.; Gaus, Michael; York, Darrin M.; Elstner, Marcus
2012-01-01
In this work we augment the approximate density functional method SCC-DFTB (DFTB3) with the chemical potential equilization (CPE) approach in order to improve the performance for molecular electronic polarizabilities. The CPE method, originally implemented for NDDO type methods by Giese and York, has been shown to emend minimal basis methods wrt response properties significantly, and has been applied to SCC-DFTB recently. CPE allows to overcome this inherent limitation of minimal basis methods by supplying an additional response density. The systematic underestimation is thereby corrected quantitatively without the need to extend the atomic orbital basis, i.e. without increasing the overall computational cost significantly. Especially the dependency of polarizability as a function of molecular charge state was significantly improved from the CPE extension of DFTB3. The empirical parameters introduced by the CPE approach were optimized for 172 organic molecules in order to match the results from density functional methods (DFT) methods using large basis sets. However, the first order derivatives of molecular polarizabilities, as e.g. required to compute Raman activities, are not improved by the current CPE implementation, i.e. Raman spectra are not improved. PMID:22894819
1972-01-01
The membrane methods described in Report 71 on the bacteriological examination of water supplies (Report, 1969) for the enumeration of coliform organisms and Escherichia coli in waters, together with a glutamate membrane method, were compared with the glutamate multiple tube method recommended in Report 71 and an incubation procedure similar to that used for membranes with the first 4 hr. at 30° C., and with MacConkey broth in multiple tubes. Although there were some differences between individual laboratories, the combined results from all participating laboratories showed that standard and extended membrane methods gave significantly higher results than the glutamate tube method for coliform organisms in both chlorinated and unchlorinated waters, but significantly lower results for Esch. coli with chlorinated waters and equivocal results with unchlorinated waters. Extended membranes gave higher results than glutamate tubes in larger proportions of samples than did standard membranes. Although transport membranes did not do so well as standard membrane methods, the results were usually in agreement with glutamate tubes except for Esch. coli in chlorinated waters. The glutamate membranes were unsatisfactory. Preliminary incubation of glutamate at 30° C. made little difference to the results. PMID:4567313
NASA Astrophysics Data System (ADS)
Xu, Zheyao; Qi, Naiming; Chen, Yukun
2015-12-01
Spacecraft simulators are widely used to study the dynamics, guidance, navigation, and control of a spacecraft on the ground. A spacecraft simulator can have three rotational degrees of freedom by using a spherical air-bearing to simulate a frictionless and micro-gravity space environment. The moment of inertia and center of mass are essential for control system design of ground-based three-axis spacecraft simulators. Unfortunately, they cannot be known precisely. This paper presents two approaches, i.e. a recursive least-squares (RLS) approach with tracking differentiator (TD) and Extended Kalman Filter (EKF) method, to estimate inertia parameters. The tracking differentiator (TD) filter the noise coupled with the measured signals and generate derivate of the measured signals. Combination of two TD filters in series obtains the angular accelerations that are required in RLS (TD-TD-RLS). Another method that does not need to estimate the angular accelerations is using the integrated form of dynamics equation. An extended TD (ETD) filter which can also generate the integration of the function of signals is presented for RLS (denoted as ETD-RLS). States and inertia parameters are estimated simultaneously using EKF. The observability is analyzed. All proposed methods are illustrated by simulations and experiments.
The analytical transfer matrix method for PT-symmetric complex potential
NASA Astrophysics Data System (ADS)
Naceri, Leila; Hammou, Amine B.
2017-07-01
We have extended the analytical transfer matrix (ATM) method to solve quantum mechanical bound state problems with complex PT-symmetric potentials. Our work focuses on a class of models studied by Bender and Jones, we calculate the energy eigenvalues, discuss the critical values of g and compare the results with those obtained from other methods such as exact numerical computation and WKB approximation method.
New applications of maximum likelihood and Bayesian statistics in macromolecular crystallography.
McCoy, Airlie J
2002-10-01
Maximum likelihood methods are well known to macromolecular crystallographers as the methods of choice for isomorphous phasing and structure refinement. Recently, the use of maximum likelihood and Bayesian statistics has extended to the areas of molecular replacement and density modification, placing these methods on a stronger statistical foundation and making them more accurate and effective.
Priming methods in semantics and pragmatics.
Maldonado, Mora; Spector, Benjamin; Chemla, Emmanuel
2017-01-01
Structural priming is a powerful method to inform linguistic theories. We argue that this method extends nicely beyond syntax to theories of meaning. Priming, however, should still be seen as only one of the tools available for linguistic data collection. Specifically, because priming can occur at different, potentially conflicting levels, it cannot detect every aspect of linguistic representations.
The Beginner's Guide to the Bootstrap Method of Resampling.
ERIC Educational Resources Information Center
Lane, Ginny G.
The bootstrap method of resampling can be useful in estimating the replicability of study results. The bootstrap procedure creates a mock population from a given sample of data from which multiple samples are then drawn. The method extends the usefulness of the jackknife procedure as it allows for computation of a given statistic across a maximal…
Comparison of the Efficiency of Two Flashcard Drill Methods on Children's Reading Performance
ERIC Educational Resources Information Center
Joseph, Laurice; Eveleigh, Elisha; Konrad, Moira; Neef, Nancy; Volpe, Robert
2012-01-01
The purpose of this study was to extend prior flashcard drill and practice research by holding instructional time constant and allowing learning trials to vary. Specifically, the authors aimed to determine whether an incremental rehearsal method or a traditional drill and practice method was most efficient in helping 5 first-grade children read,…
ERIC Educational Resources Information Center
Williams, Elmer; Dalton, Don
This 12-hour module of instruction is designed to help undergraduates in social studies methods courses integrate economics education into the secondary school social studies curriculum. The major purposes of the module are to (1) reinforce or extend teacher education students' understanding of selected basic economic concepts, (2) develop an…
The Mediated MIMIC Model for Understanding the Underlying Mechanism of DIF
ERIC Educational Resources Information Center
Cheng, Ying; Shao, Can; Lathrop, Quinn N.
2016-01-01
Due to its flexibility, the multiple-indicator, multiple-causes (MIMIC) model has become an increasingly popular method for the detection of differential item functioning (DIF). In this article, we propose the mediated MIMIC model method to uncover the underlying mechanism of DIF. This method extends the usual MIMIC model by including one variable…
Robust, Optimal Subsonic Airfoil Shapes
NASA Technical Reports Server (NTRS)
Rai, Man Mohan
2014-01-01
A method has been developed to create an airfoil robust enough to operate satisfactorily in different environments. This method determines a robust, optimal, subsonic airfoil shape, beginning with an arbitrary initial airfoil shape, and imposes the necessary constraints on the design. Also, this method is flexible and extendible to a larger class of requirements and changes in constraints imposed.
Method for fabricating a substrate having spaced apart microcapillaries thereon
Jarvis, E.E.
1995-01-24
Methods are disclosed for manufacturing a self-supporting substrate having a plurality of spaced-apart needles (spikes or microcapillaries) projecting upwardly from a major surface of the substrate. In a preferred method, metal is deposited onto a porous membrane such that the metal extends into the pores, after which the membrane is dissolved. 9 figures.
ERIC Educational Resources Information Center
Hayes, Andrew F.; Preacher, Kristopher J.
2010-01-01
Most treatments of indirect effects and mediation in the statistical methods literature and the corresponding methods used by behavioral scientists have assumed linear relationships between variables in the causal system. Here we describe and extend a method first introduced by Stolzenberg (1980) for estimating indirect effects in models of…
Climate Change Discourse in Mass Media: Application of Computer-Assisted Content Analysis
ERIC Educational Resources Information Center
Kirilenko, Andrei P.; Stepchenkova, Svetlana O.
2012-01-01
Content analysis of mass media publications has become a major scientific method used to analyze public discourse on climate change. We propose a computer-assisted content analysis method to extract prevalent themes and analyze discourse changes over an extended period in an objective and quantifiable manner. The method includes the following: (1)…
The dynamical systems approach to numerical integration
NASA Astrophysics Data System (ADS)
Wisdom, Jack
2018-03-01
The dynamical systems approach to numerical integration is reviewed and extended. The new method is compared to some alternative methods based on the Lie series approach. The test problem is the motion of the outer planets. The algorithms developed using the dynamical systems approach perform well.
Model Identification of Integrated ARMA Processes
ERIC Educational Resources Information Center
Stadnytska, Tetiana; Braun, Simone; Werner, Joachim
2008-01-01
This article evaluates the Smallest Canonical Correlation Method (SCAN) and the Extended Sample Autocorrelation Function (ESACF), automated methods for the Autoregressive Integrated Moving-Average (ARIMA) model selection commonly available in current versions of SAS for Windows, as identification tools for integrated processes. SCAN and ESACF can…
Novel Thermally Stable Poly (vinyl chloride) Composites for Sulfate Removal
BaCO3 dispersed PVC composites were prepared through a polymer re-precipitation method. The composites were tested for sulfate removal using rapid small scale column test (RSSCT) and found to significantly reduce sulfate concentration. The method was extended to synthe...
Alloy vapor deposition using ion plating and flash evaporation
NASA Technical Reports Server (NTRS)
Spalvins, T.
1971-01-01
Method extends scope of ion plating technique to include deposition of alloy films without changing composition of plating alloy. Coatings flow with specimen material without chipping or peeling. Technique is most effective vacuum deposition method for depositing alloys for strong and lasting adherence.
Improved methods for predicting peptide binding affinity to MHC class II molecules.
Jensen, Kamilla Kjaergaard; Andreatta, Massimo; Marcatili, Paolo; Buus, Søren; Greenbaum, Jason A; Yan, Zhen; Sette, Alessandro; Peters, Bjoern; Nielsen, Morten
2018-07-01
Major histocompatibility complex class II (MHC-II) molecules are expressed on the surface of professional antigen-presenting cells where they display peptides to T helper cells, which orchestrate the onset and outcome of many host immune responses. Understanding which peptides will be presented by the MHC-II molecule is therefore important for understanding the activation of T helper cells and can be used to identify T-cell epitopes. We here present updated versions of two MHC-II-peptide binding affinity prediction methods, NetMHCII and NetMHCIIpan. These were constructed using an extended data set of quantitative MHC-peptide binding affinity data obtained from the Immune Epitope Database covering HLA-DR, HLA-DQ, HLA-DP and H-2 mouse molecules. We show that training with this extended data set improved the performance for peptide binding predictions for both methods. Both methods are publicly available at www.cbs.dtu.dk/services/NetMHCII-2.3 and www.cbs.dtu.dk/services/NetMHCIIpan-3.2. © 2018 John Wiley & Sons Ltd.
PWSCC Assessment by Using Extended Finite Element Method
NASA Astrophysics Data System (ADS)
Lee, Sung-Jun; Lee, Sang-Hwan; Chang, Yoon-Suk
2015-12-01
The head penetration nozzle of control rod driving mechanism (CRDM) is known to be susceptible to primary water stress corrosion cracking (PWSCC) due to the welding-induced residual stress. Especially, the J-groove dissimilar metal weld regions have received many attentions in the previous studies. However, even though several advanced techniques such as weight function and finite element alternating methods have been introduced to predict the occurrence of PWSCC, there are still difficulties in respect of applicability and efficiency. In this study, the extended finite element method (XFEM), which allows convenient crack element modeling by enriching degree of freedom (DOF) with special displacement function, was employed to evaluate structural integrity of the CRDM head penetration nozzle. The resulting stress intensity factors of surface cracks were verified for the reliability of proposed method through the comparison with those suggested in the American Society of Mechanical Engineering (ASME) code. The detailed results from the FE analyses are fully discussed in the manuscript.
NASA Astrophysics Data System (ADS)
Javidnia, Katayoun; Parish, Maryam; Karimi, Sadegh; Hemmateenejad, Bahram
2013-03-01
By using FT-IR spectroscopy, many researchers from different disciplines enrich the experimental complexity of their research for obtaining more precise information. Moreover chemometrics techniques have boosted the use of IR instruments. In the present study we aimed to emphasize on the power of FT-IR spectroscopy for discrimination between different oil samples (especially fat from vegetable oils). Also our data were used to compare the performance of different classification methods. FT-IR transmittance spectra of oil samples (Corn, Colona, Sunflower, Soya, Olive, and Butter) were measured in the wave-number interval of 450-4000 cm-1. Classification analysis was performed utilizing PLS-DA, interval PLS-DA, extended canonical variate analysis (ECVA) and interval ECVA methods. The effect of data preprocessing by extended multiplicative signal correction was investigated. Whilst all employed method could distinguish butter from vegetable oils, iECVA resulted in the best performances for calibration and external test set with 100% sensitivity and specificity.
A Moving Mesh Finite Element Algorithm for Singular Problems in Two and Three Space Dimensions
NASA Astrophysics Data System (ADS)
Li, Ruo; Tang, Tao; Zhang, Pingwen
2002-04-01
A framework for adaptive meshes based on the Hamilton-Schoen-Yau theory was proposed by Dvinsky. In a recent work (2001, J. Comput. Phys.170, 562-588), we extended Dvinsky's method to provide an efficient moving mesh algorithm which compared favorably with the previously proposed schemes in terms of simplicity and reliability. In this work, we will further extend the moving mesh methods based on harmonic maps to deal with mesh adaptation in three space dimensions. In obtaining the variational mesh, we will solve an optimization problem with some appropriate constraints, which is in contrast to the traditional method of solving the Euler-Lagrange equation directly. The key idea of this approach is to update the interior and boundary grids simultaneously, rather than considering them separately. Application of the proposed moving mesh scheme is illustrated with some two- and three-dimensional problems with large solution gradients. The numerical experiments show that our methods can accurately resolve detail features of singular problems in 3D.
CFO compensation method using optical feedback path for coherent optical OFDM system
NASA Astrophysics Data System (ADS)
Moon, Sang-Rok; Hwang, In-Ki; Kang, Hun-Sik; Chang, Sun Hyok; Lee, Seung-Woo; Lee, Joon Ki
2017-07-01
We investigate feasibility of carrier frequency offset (CFO) compensation method using optical feedback path for coherent optical orthogonal frequency division multiplexing (CO-OFDM) system. Recently proposed CFO compensation algorithms provide wide CFO estimation range in electrical domain. However, their practical compensation range is limited by sampling rate of an analog-to-digital converter (ADC). This limitation has not drawn attention, since the ADC sampling rate was high enough comparing to the data bandwidth and CFO in the wireless OFDM system. For CO-OFDM, the limitation is becoming visible because of increased data bandwidth, laser instability (i.e. large CFO) and insufficient ADC sampling rate owing to high cost. To solve the problem and extend practical CFO compensation range, we propose a CFO compensation method having optical feedback path. By adding simple wavelength control for local oscillator, the practical CFO compensation range can be extended to the sampling frequency range. The feasibility of the proposed method is experimentally investigated.
Interferometric Laser Scanner for Direction Determination
Kaloshin, Gennady; Lukin, Igor
2016-01-01
In this paper, we explore the potential capabilities of new laser scanning-based method for direction determination. The method for fully coherent beams is extended to the case when interference pattern is produced in the turbulent atmosphere by two partially coherent sources. The performed theoretical analysis identified the conditions under which stable pattern may form on extended paths of 0.5–10 km in length. We describe a method for selecting laser scanner parameters, ensuring the necessary operability range in the atmosphere for any possible turbulence characteristics. The method is based on analysis of the mean intensity of interference pattern, formed by two partially coherent sources of optical radiation. Visibility of interference pattern is estimated as a function of propagation pathlength, structure parameter of atmospheric turbulence, and spacing of radiation sources, producing the interference pattern. It is shown that, when atmospheric turbulences are moderately strong, the contrast of interference pattern of laser scanner may ensure its applicability at ranges up to 10 km. PMID:26805841
Interferometric Laser Scanner for Direction Determination.
Kaloshin, Gennady; Lukin, Igor
2016-01-21
In this paper, we explore the potential capabilities of new laser scanning-based method for direction determination. The method for fully coherent beams is extended to the case when interference pattern is produced in the turbulent atmosphere by two partially coherent sources. The performed theoretical analysis identified the conditions under which stable pattern may form on extended paths of 0.5-10 km in length. We describe a method for selecting laser scanner parameters, ensuring the necessary operability range in the atmosphere for any possible turbulence characteristics. The method is based on analysis of the mean intensity of interference pattern, formed by two partially coherent sources of optical radiation. Visibility of interference pattern is estimated as a function of propagation pathlength, structure parameter of atmospheric turbulence, and spacing of radiation sources, producing the interference pattern. It is shown that, when atmospheric turbulences are moderately strong, the contrast of interference pattern of laser scanner may ensure its applicability at ranges up to 10 km.
Coherent diffraction imaging of non-isolated object with apodized illumination.
Khakurel, Krishna P; Kimura, Takashi; Joti, Yasumasa; Matsuyama, Satoshi; Yamauchi, Kazuto; Nishino, Yoshinori
2015-11-02
Coherent diffraction imaging (CDI) is an established lensless imaging method widely used at the x-ray regime applicable to the imaging of non-periodic materials. Conventional CDI can practically image isolated objects only, which hinders the broader application of the method. We present the imaging of non-isolated objects by employing recently proposed "non-scanning" apodized-illumination CDI at an optical wavelength. We realized isolated apodized illumination with a specially designed optical configuration and succeeded in imaging phase objects as well as amplitude objects. The non-scanning nature of the method is important particularly in imaging live cells and tissues, where fast imaging is required for non-isolated objects, and is an advantage over ptychography. We believe that our result of phase contrast imaging at an optical wavelength can be extended to the quantitative phase imaging of cells and tissues. The method also provides the feasibility of the lensless single-shot imaging of extended objects with x-ray free-electron lasers.
Liu, Peide; Li, Dengfeng
2017-01-01
Muirhead mean (MM) is a well-known aggregation operator which can consider interrelationships among any number of arguments assigned by a variable vector. Besides, it is a universal operator since it can contain other general operators by assigning some special parameter values. However, the MM can only process the crisp numbers. Inspired by the MM' advantages, the aim of this paper is to extend MM to process the intuitionistic fuzzy numbers (IFNs) and then to solve the multi-attribute group decision making (MAGDM) problems. Firstly, we develop some intuitionistic fuzzy Muirhead mean (IFMM) operators by extending MM to intuitionistic fuzzy information. Then, we prove some properties and discuss some special cases with respect to the parameter vector. Moreover, we present two new methods to deal with MAGDM problems with the intuitionistic fuzzy information based on the proposed MM operators. Finally, we verify the validity and reliability of our methods by using an application example, and analyze the advantages of our methods by comparing with other existing methods.
Farouk, M; Elaziz, Omar Abd; Tawakkol, Shereen M; Hemdan, A; Shehata, Mostafa A
2014-04-05
Four simple, accurate, reproducible, and selective methods have been developed and subsequently validated for the determination of Benazepril (BENZ) alone and in combination with Amlodipine (AML) in pharmaceutical dosage form. The first method is pH induced difference spectrophotometry, where BENZ can be measured in presence of AML as it showed maximum absorption at 237nm and 241nm in 0.1N HCl and 0.1N NaOH, respectively, while AML has no wavelength shift in both solvents. The second method is the new Extended Ratio Subtraction Method (EXRSM) coupled to Ratio Subtraction Method (RSM) for determination of both drugs in commercial dosage form. The third and fourth methods are multivariate calibration which include Principal Component Regression (PCR) and Partial Least Squares (PLSs). A detailed validation of the methods was performed following the ICH guidelines and the standard curves were found to be linear in the range of 2-30μg/mL for BENZ in difference and extended ratio subtraction spectrophotometric method, and 5-30 for AML in EXRSM method, with well accepted mean correlation coefficient for each analyte. The intra-day and inter-day precision and accuracy results were well within the acceptable limits. Copyright © 2013 Elsevier B.V. All rights reserved.
Bhowmick, Amiya Ranjan; Bandyopadhyay, Subhadip; Rana, Sourav; Bhattacharya, Sabyasachi
2016-01-01
The stochastic versions of the logistic and extended logistic growth models are applied successfully to explain many real-life population dynamics and share a central body of literature in stochastic modeling of ecological systems. To understand the randomness in the population dynamics of the underlying processes completely, it is important to have a clear idea about the quasi-equilibrium distribution and its moments. Bartlett et al. (1960) took a pioneering attempt for estimating the moments of the quasi-equilibrium distribution of the stochastic logistic model. Matis and Kiffe (1996) obtain a set of more accurate and elegant approximations for the mean, variance and skewness of the quasi-equilibrium distribution of the same model using cumulant truncation method. The method is extended for stochastic power law logistic family by the same and several other authors (Nasell, 2003; Singh and Hespanha, 2007). Cumulant truncation and some alternative methods e.g. saddle point approximation, derivative matching approach can be applied if the powers involved in the extended logistic set up are integers, although plenty of evidence is available for non-integer powers in many practical situations (Sibly et al., 2005). In this paper, we develop a set of new approximations for mean, variance and skewness of the quasi-equilibrium distribution under more general family of growth curves, which is applicable for both integer and non-integer powers. The deterministic counterpart of this family of models captures both monotonic and non-monotonic behavior of the per capita growth rate, of which theta-logistic is a special case. The approximations accurately estimate the first three order moments of the quasi-equilibrium distribution. The proposed method is illustrated with simulated data and real data from global population dynamics database. Copyright © 2015 Elsevier Inc. All rights reserved.
Extended AIC model based on high order moments and its application in the financial market
NASA Astrophysics Data System (ADS)
Mao, Xuegeng; Shang, Pengjian
2018-07-01
In this paper, an extended method of traditional Akaike Information Criteria(AIC) is proposed to detect the volatility of time series by combining it with higher order moments, such as skewness and kurtosis. Since measures considering higher order moments are powerful in many aspects, the properties of asymmetry and flatness can be observed. Furthermore, in order to reduce the effect of noise and other incoherent features, we combine the extended AIC algorithm with multiscale wavelet analysis, in which the newly extended AIC algorithm is applied to wavelet coefficients at several scales and the time series are reconstructed by wavelet transform. After that, we create AIC planes to derive the relationship among AIC values using variance, skewness and kurtosis respectively. When we test this technique on the financial market, the aim is to analyze the trend and volatility of the closing price of stock indices and classify them. And we also adapt multiscale analysis to measure complexity of time series over a range of scales. Empirical results show that the singularity of time series in stock market can be detected via extended AIC algorithm.
Yang, Shan-Shan; Pang, Ji-Wei; Guo, Wan-Qian; Yang, Xiao-Yin; Wu, Zhong-Yang; Ren, Nan-Qi; Zhao, Zhi-Qing
2017-05-01
This paper presents the results of an extended ASM2 model for the modeling and calibration of the role of extracellular polymeric substances (EPS) in phosphorus (P) removal in an anaerobic-aerobic process. In this extended ASM2 model, two new components, the bound EPS (X EPS ) and the soluble EPS (S EPS ), are introduced. Compared with the ASM2, 7.71, 8.53, and 9.28% decreases in polyphosphate (polyP) were observed in the extended ASM2 in three sequencing batch reactors feeding with different COD/P ratios, indicating that 7.71-9.28% of P in the liquid was adsorbed by EPS. Sensitive analysis indicated that, five parameters were the significant influential parameters and had been chosen for further model calibration by using the least square method to simulate by MATLAB. This extended ASM2 has been successfully established to simulate the output variables and provides a useful reference for the mathematic simulations of the role of EPS in biological phosphorus removal process. Copyright © 2017. Published by Elsevier Ltd.
Extended International Normalized Ratio testing intervals for warfarin-treated patients.
Barnes, G D; Kong, X; Cole, D; Haymart, B; Kline-Rogers, E; Almany, S; Dahu, M; Ekola, M; Kaatz, S; Kozlowski, J; Froehlich, J B
2018-05-15
Essentials Warfarin typically requires International Normalized Ratio (INR) testing at least every 4 weeks. We implemented extended INR testing for stable warfarin patients in six anticoagulation clinics. Use of extended INR testing increased from 41.8% to 69.3% over the 3 year study. Use of extended INR testing appeared safe and effective. Background A previous single-center randomized trial suggested that patients with stable International Normalized Ratio (INR) values could safely receive INR testing as infrequently as every 12 weeks. Objective To test the success of implementation of an extended INR testing interval for stable warfarin patients in a practice-based, multicenter collaborative of anticoagulation clinics. Methods At six anticoagulation clinics, patients were identified as being eligible for extended INR testing on the basis of prior INR value stability and minimal warfarin dose changes between 2014 and 2016. We assessed the frequency with which anticoagulation clinic providers recommended an extended INR testing interval (> 5 weeks) to eligible patients. We also explored safety outcomes for eligible patients, including next INR values, bleeding events, and emergency department visits. Results At least one eligible period for extended INR testing was identified in 890 of 3362 (26.5%) warfarin-treated patients. Overall, the use of extended INR testing in eligible patients increased from 41.8% in the first quarter of 2014 to 69.3% in the fourth quarter of 2016. The number of subsequent out-of-range next INR values were similar between eligible patients who did and did not have an extended INR testing interval (27.3% versus 28.4%, respectively). The numbers of major bleeding events were not different between the two groups, but rates of clinically relevant non-major bleeding (0.02 per 100 patient-years versus 0.09 per 100 patient-years) and emergency department visits (0.07 per 100 patient-years versus 0.19 per 100 patient-years) were lower for eligible patients with extended INR testing intervals than for those with non-extended INR testing intervals. Conclusions Extended INR testing for stable warfarin patients can be successfully and safely implemented in diverse, practice-based anticoagulation clinic settings. © 2018 International Society on Thrombosis and Haemostasis.
Liu, Fang; Ling, Jian; Wang, Chunying; Li, Shaohui; Zhang, Xiangdi; Wang, Yuhong; Wang, Kunbo
2012-01-01
Fluorescence in situ hybridization (FISH) has become one of the most important techniques applied in plant molecular cytogenetics. However, the application of this technique in cotton has lagged behind because of difficulties in chromosome preparation. The focus of this article was FISH performed not only on cotton pachytene chromosomes, but also on cotton extended DNA fibers. The cotton pollen mother cells (PMCs) instead of buds or anthers were directly digested in enzyme to completely breakdown the cell wall. Before the routine acetic acid treatment, PMCs were incubated in acetic acid and enzyme mixture to remove the cytoplasm and clear the background. The method of ice-cold Carnoy's solution spreading chromosome was adopted instead of nitrogen removed method to avoid chromosomes losing and fully stretch chromosome. With the above-improved steps, the high-quality well-differentiated pachytene chromosomes with clear background were obtained. FISH results demonstrated that a mature protocol of cotton pachytene chromosomes preparation was presented. Intact and no debris cotton nuclei were obtained by chopping from etiolation cotyledons instead of the conventional liquid nitrogen grinding method. After incubating the nuclei with nucleus lysis buffer on slide, the parallel and clear background DNA fibers were acquired along the slide. This method overcomes the twist, accumulation and fracture of DNA fibers compared with other methods. The entire process of DNA fibers preparation requires only 30 min, in contrast, it takes 3 h with routine nitrogen grinding method. The poisonous mercaptoethanol in nucleus lysis buffer is replaced by nonpoisonous dithiothreitol. PVP40 in nucleus isolation buffer is used to prevent oxidation. The probability of success in isolating nuclei for DNA fiber preparation is almost 100% tested with this method in cotton. So a rapid, safe, and efficient method for the preparation of cotton extended DNA fibers suitable for FISH was established. PMID:22442728
Convergence acceleration of molecular dynamics methods for shocked materials using velocity scaling
NASA Astrophysics Data System (ADS)
Taylor, DeCarlos E.
2017-03-01
In this work, a convergence acceleration method applicable to extended system molecular dynamics techniques for shock simulations of materials is presented. The method uses velocity scaling to reduce the instantaneous value of the Rankine-Hugoniot conservation of energy constraint used in extended system molecular dynamics methods to more rapidly drive the system towards a converged Hugoniot state. When used in conjunction with the constant stress Hugoniostat method, the velocity scaled trajectories show faster convergence to the final Hugoniot state with little difference observed in the converged Hugoniot energy, pressure, volume and temperature. A derivation of the scale factor is presented and the performance of the technique is demonstrated using the boron carbide armour ceramic as a test material. It is shown that simulation of boron carbide Hugoniot states, from 5 to 20 GPa, using both a classical Tersoff potential and an ab initio density functional, are more rapidly convergent when the velocity scaling algorithm is applied. The accelerated convergence afforded by the current algorithm enables more rapid determination of Hugoniot states thus reducing the computational demand of such studies when using expensive ab initio or classical potentials.
Generalized Full-Information Item Bifactor Analysis
Cai, Li; Yang, Ji Seung; Hansen, Mark
2011-01-01
Full-information item bifactor analysis is an important statistical method in psychological and educational measurement. Current methods are limited to single group analysis and inflexible in the types of item response models supported. We propose a flexible multiple-group item bifactor analysis framework that supports a variety of multidimensional item response theory models for an arbitrary mixing of dichotomous, ordinal, and nominal items. The extended item bifactor model also enables the estimation of latent variable means and variances when data from more than one group are present. Generalized user-defined parameter restrictions are permitted within or across groups. We derive an efficient full-information maximum marginal likelihood estimator. Our estimation method achieves substantial computational savings by extending Gibbons and Hedeker’s (1992) bifactor dimension reduction method so that the optimization of the marginal log-likelihood only requires two-dimensional integration regardless of the dimensionality of the latent variables. We use simulation studies to demonstrate the flexibility and accuracy of the proposed methods. We apply the model to study cross-country differences, including differential item functioning, using data from a large international education survey on mathematics literacy. PMID:21534682
Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study.
Vogiatzis, Konstantinos D; Li Manni, Giovanni; Stoneburner, Samuel J; Ma, Dongxia; Gagliardi, Laura
2015-07-14
The applicability and accuracy of the generalized active space self-consistent field, (GASSCF), and (SplitGAS) methods are presented. The GASSCF method enables the exploration of larger active spaces than with the conventional complete active space SCF, (CASSCF), by fragmentation of a large space into subspaces and by controlling the interspace excitations. In the SplitGAS method, the GAS configuration interaction, CI, expansion is further partitioned in two parts: the principal, which includes the most important configuration state functions, and an extended, containing less relevant but not negligible ones. An effective Hamiltonian is then generated, with the extended part acting as a perturbation to the principal space. Excitation energies of ozone, furan, pyrrole, nickel dioxide, and copper tetrachloride dianion are reported. Various partitioning schemes of the GASSCF and SplitGAS CI expansions are considered and compared with the complete active space followed by second-order perturbation theory, (CASPT2), and multireference CI method, (MRCI), or available experimental data. General guidelines for the optimum applicability of these methods are discussed together with their current limitations.
General method to find the attractors of discrete dynamic models of biological systems.
Gan, Xiao; Albert, Réka
2018-04-01
Analyzing the long-term behaviors (attractors) of dynamic models of biological networks can provide valuable insight. We propose a general method that can find the attractors of multilevel discrete dynamical systems by extending a method that finds the attractors of a Boolean network model. The previous method is based on finding stable motifs, subgraphs whose nodes' states can stabilize on their own. We extend the framework from binary states to any finite discrete levels by creating a virtual node for each level of a multilevel node, and describing each virtual node with a quasi-Boolean function. We then create an expanded representation of the multilevel network, find multilevel stable motifs and oscillating motifs, and identify attractors by successive network reduction. In this way, we find both fixed point attractors and complex attractors. We implemented an algorithm, which we test and validate on representative synthetic networks and on published multilevel models of biological networks. Despite its primary motivation to analyze biological networks, our motif-based method is general and can be applied to any finite discrete dynamical system.
Han, Jubong; Lee, K B; Lee, Jong-Man; Park, Tae Soon; Oh, J S; Oh, Pil-Jei
2016-03-01
We discuss a new method to incorporate Type B uncertainty into least-squares procedures. The new method is based on an extension of the likelihood function from which a conventional least-squares function is derived. The extended likelihood function is the product of the original likelihood function with additional PDFs (Probability Density Functions) that characterize the Type B uncertainties. The PDFs are considered to describe one's incomplete knowledge on correction factors being called nuisance parameters. We use the extended likelihood function to make point and interval estimations of parameters in the basically same way as the least-squares function used in the conventional least-squares method is derived. Since the nuisance parameters are not of interest and should be prevented from appearing in the final result, we eliminate such nuisance parameters by using the profile likelihood. As an example, we present a case study for a linear regression analysis with a common component of Type B uncertainty. In this example we compare the analysis results obtained from using our procedure with those from conventional methods. Copyright © 2015. Published by Elsevier Ltd.
General method to find the attractors of discrete dynamic models of biological systems
NASA Astrophysics Data System (ADS)
Gan, Xiao; Albert, Réka
2018-04-01
Analyzing the long-term behaviors (attractors) of dynamic models of biological networks can provide valuable insight. We propose a general method that can find the attractors of multilevel discrete dynamical systems by extending a method that finds the attractors of a Boolean network model. The previous method is based on finding stable motifs, subgraphs whose nodes' states can stabilize on their own. We extend the framework from binary states to any finite discrete levels by creating a virtual node for each level of a multilevel node, and describing each virtual node with a quasi-Boolean function. We then create an expanded representation of the multilevel network, find multilevel stable motifs and oscillating motifs, and identify attractors by successive network reduction. In this way, we find both fixed point attractors and complex attractors. We implemented an algorithm, which we test and validate on representative synthetic networks and on published multilevel models of biological networks. Despite its primary motivation to analyze biological networks, our motif-based method is general and can be applied to any finite discrete dynamical system.
Extended Kalman filtering for the detection of damage in linear mechanical structures
NASA Astrophysics Data System (ADS)
Liu, X.; Escamilla-Ambrosio, P. J.; Lieven, N. A. J.
2009-09-01
This paper addresses the problem of assessing the location and extent of damage in a vibrating structure by means of vibration measurements. Frequency domain identification methods (e.g. finite element model updating) have been widely used in this area while time domain methods such as the extended Kalman filter (EKF) method, are more sparsely represented. The difficulty of applying EKF in mechanical system damage identification and localisation lies in: the high computational cost, the dependence of estimation results on the initial estimation error covariance matrix P(0), the initial value of parameters to be estimated, and on the statistics of measurement noise R and process noise Q. To resolve these problems in the EKF, a multiple model adaptive estimator consisting of a bank of EKF in modal domain was designed, each filter in the bank is based on different P(0). The algorithm was iterated by using the weighted global iteration method. A fuzzy logic model was incorporated in each filter to estimate the variance of the measurement noise R. The application of the method is illustrated by simulated and real examples.
Coast, Joanna; Flynn, Terry; Sutton, Eileen; Al-Janabi, Hareth; Vosper, Jane; Lavender, Sarita; Louviere, Jordan; Peters, Tim
2008-10-01
This paper deals with three concerns about the evaluative framework that is currently dominant within health economics. These concerns are: that the evaluative framework is concerned entirely with health; that the evaluative framework has an individualistic focus on patients alone; and that the methods used to estimate 'health' within the current evaluative framework could be improved both in terms of the generation of descriptive systems and in using valuation methods that rely less on people's ability to express their preferences on a cardinal scale. In exploring these issues the Investigating Choice Experiments for Preferences of Older People (ICEPOP) programme has explicitly focused on both the topic of older people and the methods of discrete choice experiments. A capability index has been developed and attributes for an economic measure of end-of-life care are currently being generated, providing the possibility of extending the evaluative framework beyond health alone. A measure of carer's experience and a framework for extending measurement in end-of-life care to loved ones are both also in development, thus extending the evaluative framework beyond the patient alone. Rigorous qualitative methods employing an iterative approach have been developed for use in constructing attributes, and best-worst scaling has been utilized to reduce task complexity and provide insights into heterogeneity. There are a number of avenues for further research in all these areas, but in particular there is need for greater attention to be paid to the theory underlying the evaluative framework within health economics.
Andreas, Cord J; Tomaszewska, Irena; Muenster, Uwe; van der Mey, Dorina; Mueck, Wolfgang; Dressman, Jennifer B
2016-08-01
Food intake is known to have various effects on gastrointestinal luminal conditions in terms of transit times, hydrodynamic forces and/or luminal fluid composition and can therefore affect the dissolution behavior of solid oral dosage forms. The aim of this study was to investigate and detect the dosage form-dependent food effect that has been observed for two extended-release formulations of nifedipine using in vitro dissolution tests. Two monolithic extended release formulations, the osmotic pump Adalat® XL 60mg and matrix-type Adalat® Eins 30mg formulation, were investigated with biorelevant dissolution methods using the USP apparatus III and IV under both simulated prandial states, and their corresponding quality control dissolution method. In vitro data were compared to published and unpublished in vivo data using deconvolution-based in vitro - in vivo correlation (IVIVC) approaches. Quality control dissolution methods tended to overestimate the dissolution rate due to the excessive solubilizing capabilities of the sodium dodecyl sulfate (SDS)-containing dissolution media. Using Level II biorelevant media the dosage form dependent food effect for nifedipine was described well when studied with the USP apparatus III, whereas the USP apparatus IV failed to detect the positive food effect for the matrix-type dosage form. It was demonstrated that biorelevant methods can serve as a useful tool during formulation development as they were able to qualitatively reflect the in vivo data. Copyright © 2016 Elsevier B.V. All rights reserved.
Huang, Haoqian; Chen, Xiyuan; Zhou, Zhikai; Xu, Yuan; Lv, Caiping
2014-01-01
High accuracy attitude and position determination is very important for underwater gliders. The cross-coupling among three attitude angles (heading angle, pitch angle and roll angle) becomes more serious when pitch or roll motion occurs. This cross-coupling makes attitude angles inaccurate or even erroneous. Therefore, the high accuracy attitude and position determination becomes a difficult problem for a practical underwater glider. To solve this problem, this paper proposes backing decoupling and adaptive extended Kalman filter (EKF) based on the quaternion expanded to the state variable (BD-AEKF). The backtracking decoupling can eliminate effectively the cross-coupling among the three attitudes when pitch or roll motion occurs. After decoupling, the adaptive extended Kalman filter (AEKF) based on quaternion expanded to the state variable further smoothes the filtering output to improve the accuracy and stability of attitude and position determination. In order to evaluate the performance of the proposed BD-AEKF method, the pitch and roll motion are simulated and the proposed method performance is analyzed and compared with the traditional method. Simulation results demonstrate the proposed BD-AEKF performs better. Furthermore, for further verification, a new underwater navigation system is designed, and the three-axis non-magnetic turn table experiments and the vehicle experiments are done. The results show that the proposed BD-AEKF is effective in eliminating cross-coupling and reducing the errors compared with the conventional method. PMID:25479331
Sensitivity Analysis for Atmospheric Infrared Sounder (AIRS) CO2 Retrieval
NASA Technical Reports Server (NTRS)
Gat, Ilana
2012-01-01
The Atmospheric Infrared Sounder (AIRS) is a thermal infrared sensor able to retrieve the daily atmospheric state globally for clear as well as partially cloudy field-of-views. The AIRS spectrometer has 2378 channels sensing from 15.4 micrometers to 3.7 micrometers, of which a small subset in the 15 micrometers region has been selected, to date, for CO2 retrieval. To improve upon the current retrieval method, we extended the retrieval calculations to include a prior estimate component and developed a channel ranking system to optimize the channels and number of channels used. The channel ranking system uses a mathematical formalism to rapidly process and assess the retrieval potential of large numbers of channels. Implementing this system, we identifed a larger optimized subset of AIRS channels that can decrease retrieval errors and minimize the overall sensitivity to other iridescent contributors, such as water vapor, ozone, and atmospheric temperature. This methodology selects channels globally by accounting for the latitudinal, longitudinal, and seasonal dependencies of the subset. The new methodology increases accuracy in AIRS CO2 as well as other retrievals and enables the extension of retrieved CO2 vertical profiles to altitudes ranging from the lower troposphere to upper stratosphere. The extended retrieval method for CO2 vertical profile estimation using a maximum-likelihood estimation method. We use model data to demonstrate the beneficial impact of the extended retrieval method using the new channel ranking system on CO2 retrieval.
Huang, Haoqian; Chen, Xiyuan; Zhou, Zhikai; Xu, Yuan; Lv, Caiping
2014-12-03
High accuracy attitude and position determination is very important for underwater gliders. The cross-coupling among three attitude angles (heading angle, pitch angle and roll angle) becomes more serious when pitch or roll motion occurs. This cross-coupling makes attitude angles inaccurate or even erroneous. Therefore, the high accuracy attitude and position determination becomes a difficult problem for a practical underwater glider. To solve this problem, this paper proposes backing decoupling and adaptive extended Kalman filter (EKF) based on the quaternion expanded to the state variable (BD-AEKF). The backtracking decoupling can eliminate effectively the cross-coupling among the three attitudes when pitch or roll motion occurs. After decoupling, the adaptive extended Kalman filter (AEKF) based on quaternion expanded to the state variable further smoothes the filtering output to improve the accuracy and stability of attitude and position determination. In order to evaluate the performance of the proposed BD-AEKF method, the pitch and roll motion are simulated and the proposed method performance is analyzed and compared with the traditional method. Simulation results demonstrate the proposed BD-AEKF performs better. Furthermore, for further verification, a new underwater navigation system is designed, and the three-axis non-magnetic turn table experiments and the vehicle experiments are done. The results show that the proposed BD-AEKF is effective in eliminating cross-coupling and reducing the errors compared with the conventional method.
Article, component, and method of forming an article
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lacy, Benjamin Paul; Itzel, Gary Michael; Kottilingam, Srikanth Chandrudu
An article and method of forming an article are provided. The article includes a body portion separating an inner region and an outer region, an aperture in the body portion, the aperture fluidly connecting the inner region to the outer region, and a conduit extending from an outer surface of the body portion at the aperture and being arranged and disposed to controllably direct fluid from the inner region to the outer region. The method includes providing a body portion separating an inner region and an outer region, providing an aperture in the body portion, and forming a conduit overmore » the aperture, the conduit extending from an outer surface of the body portion and being arranged and disposed to controllably direct fluid from the inner region to the outer region. The article is arranged and disposed for insertion within a hot gas path component.« less
[Evaluation of the external tissue extender (Ete) in secondary wound closure].
Zutt, Markus; Beckmann, Iris; Kretschmer, Lutz
2003-09-01
For surgical closure of large skin defects, elaborate reconstructive plastic surgery or other methods such as internal subcutaneous balloon tissue expanders are required in order to avoid tension on the closure margins. Here we point to the benefits and disadvantages of an improved and simple method of secondary wound closure by secondary sutures. We employed a system called External Tissue Extender (ETE), which consists of silicone strings and plastic stoppers pulling the corresponding surgical sites together and evenly distributing the tension. Possible indications in dermatologic surgery and our experiences with this technique are outlined. Implantation and handling of the ETE are very easy and fast. The functional results are good and the cosmetic outcome satisfactory. More invasive surgical procedures can be avoided by using this method. A major disadvantage is the possibility of developing necrosis under the plastic stoppers. According to our experience, the ETE is a useful alternative indicated in certain dermatosurgical situations.
Ergodic theory and visualization. II. Fourier mesochronic plots visualize (quasi)periodic sets
DOE Office of Scientific and Technical Information (OSTI.GOV)
Levnajić, Zoran; Department of Mechanical Engineering, University of California Santa Barbara, Santa Barbara, California 93106; Mezić, Igor
We present an application and analysis of a visualization method for measure-preserving dynamical systems introduced by I. Mezić and A. Banaszuk [Physica D 197, 101 (2004)], based on frequency analysis and Koopman operator theory. This extends our earlier work on visualization of ergodic partition [Z. Levnajić and I. Mezić, Chaos 20, 033114 (2010)]. Our method employs the concept of Fourier time average [I. Mezić and A. Banaszuk, Physica D 197, 101 (2004)], and is realized as a computational algorithms for visualization of periodic and quasi-periodic sets in the phase space. The complement of periodic phase space partition contains chaotic zone,more » and we show how to identify it. The range of method's applicability is illustrated using well-known Chirikov standard map, while its potential in illuminating higher-dimensional dynamics is presented by studying the Froeschlé map and the Extended Standard Map.« less
Separation and/or sequestration apparatus and methods
Rieke, Peter C; Towne, Silas A; Coffey, Greg W; Appel, Aaron M
2015-02-03
Apparatus for separating CO.sub.2 from an electrolyte solution are provided. Example apparatus can include: a vessel defining an interior volume and configured to house an electrolyte solution; an input conduit in fluid communication with the interior volume; an output conduit in fluid communication with the interior volume; an exhaust conduit in fluid communication with the interior volume; and an anode located within the interior volume. Other example apparatus can include: an elongated vessel having two regions; an input conduit extending outwardly from the one region; an output conduit extending outwardly from the other region; an exhaust conduit in fluid communication with the one region; and an anode located within the one region. Methods for separating CO.sub.2 from an electrolyte solution are provided. Example methods can include: providing a CO.sub.2 rich electrolyte solution to a vessel containing an anode; and distributing hydrogen from the anode to acidify the electrolyte solution.
Lee, Kiju; Wang, Yunfeng; Chirikjian, Gregory S.
2010-01-01
Over the past several decades a number of O(n) methods for forward and inverse dynamics computations have been developed in the multi-body dynamics and robotics literature. A method was developed in 1974 by Fixman for O(n) computation of the mass-matrix determinant for a serial polymer chain consisting of point masses. In other recent papers, we extended this method in order to compute the inverse of the mass matrix for serial chains consisting of point masses. In the present paper, we extend these ideas further and address the case of serial chains composed of rigid-bodies. This requires the use of relatively deep mathematics associated with the rotation group, SO(3), and the special Euclidean group, SE(3), and specifically, it requires that one differentiates functions of Lie-group-valued argument. PMID:20165563
Ergodic theory and visualization. II. Fourier mesochronic plots visualize (quasi)periodic sets.
Levnajić, Zoran; Mezić, Igor
2015-05-01
We present an application and analysis of a visualization method for measure-preserving dynamical systems introduced by I. Mezić and A. Banaszuk [Physica D 197, 101 (2004)], based on frequency analysis and Koopman operator theory. This extends our earlier work on visualization of ergodic partition [Z. Levnajić and I. Mezić, Chaos 20, 033114 (2010)]. Our method employs the concept of Fourier time average [I. Mezić and A. Banaszuk, Physica D 197, 101 (2004)], and is realized as a computational algorithms for visualization of periodic and quasi-periodic sets in the phase space. The complement of periodic phase space partition contains chaotic zone, and we show how to identify it. The range of method's applicability is illustrated using well-known Chirikov standard map, while its potential in illuminating higher-dimensional dynamics is presented by studying the Froeschlé map and the Extended Standard Map.
An extended Lagrangian method for subsonic flows
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing; Loh, Ching Y.
1992-01-01
It is well known that fluid motion can be specified by either the Eulerian of Lagrangian description. Most of Computational Fluid Dynamics (CFD) developments over the last three decades have been based on the Eulerian description and considerable progress has been made. In particular, the upwind methods, inspired and guided by the work of Gudonov, have met with many successes in dealing with complex flows, especially where discontinuities exist. However, this shock capturing property has proven to be accurate only when the discontinuity is aligned with one of the grid lines since most upwind methods are strictly formulated in 1-D framework and only formally extended to multi-dimensions. Consequently, the attractive property of crisp resolution of these discontinuities is lost and research on genuine multi-dimensional approach has just been undertaken by several leading researchers. Nevertheless they are still based on the Eulerian description.
Total Variation Denoising and Support Localization of the Gradient
NASA Astrophysics Data System (ADS)
Chambolle, A.; Duval, V.; Peyré, G.; Poon, C.
2016-10-01
This paper describes the geometrical properties of the solutions to the total variation denoising method. A folklore statement is that this method is able to restore sharp edges, but at the same time, might introduce some staircasing (i.e. “fake” edges) in flat areas. Quite surprisingly, put aside numerical evidences, almost no theoretical result are available to backup these claims. The first contribution of this paper is a precise mathematical definition of the “extended support” (associated to the noise-free image) of TV denoising. This is intuitively the region which is unstable and will suffer from the staircasing effect. Our main result shows that the TV denoising method indeed restores a piece-wise constant image outside a small tube surrounding the extended support. Furthermore, the radius of this tube shrinks toward zero as the noise level vanishes and in some cases, an upper bound on the convergence rate is given.
Application of modified extended method in CREAM for safety inspector in coal mines
NASA Astrophysics Data System (ADS)
Wang, Jinhe; Zhang, Xiaohong; Zeng, Jianchao
2018-01-01
Safety inspector often performs duties in circumstances contributes to the oc currence of human failures. Therefore, the paper aims at quantifying human failure pro bability (HFP) of safety inspector during the coal mine operation with cognitive reliabi lity and error analysis method (CREAM). Whereas, some shortcomings of this approa ch that lacking considering the applicability of the common performance condition (C PC), and the subjective of evaluating CPC level which weaken the accuracy of the qua ntitative prediction results. A modified extended method in CREAM which is able to a ddress these difficulties with a CPC framework table is proposed, and the proposed me thodology is demonstrated by the virtue of a coal-mine accident example. The results a re expected to be useful in predicting HFP of safety inspector and contribute to the enh ancement of coal mine safety.