Accurate theoretical chemistry with coupled pair models.
Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan
2009-05-19
Quantum chemistry has found its way into the everyday work of many experimental chemists. Calculations can predict the outcome of chemical reactions, afford insight into reaction mechanisms, and be used to interpret structure and bonding in molecules. Thus, contemporary theory offers tremendous opportunities in experimental chemical research. However, even with present-day computers and algorithms, we cannot solve the many particle Schrodinger equation exactly; inevitably some error is introduced in approximating the solutions of this equation. Thus, the accuracy of quantum chemical calculations is of critical importance. The affordable accuracy depends on molecular size and particularly on the total number of atoms: for orientation, ethanol has 9 atoms, aspirin 21 atoms, morphine 40 atoms, sildenafil 63 atoms, paclitaxel 113 atoms, insulin nearly 800 atoms, and quaternary hemoglobin almost 12,000 atoms. Currently, molecules with up to approximately 10 atoms can be very accurately studied by coupled cluster (CC) theory, approximately 100 atoms with second-order Møller-Plesset perturbation theory (MP2), approximately 1000 atoms with density functional theory (DFT), and beyond that number with semiempirical quantum chemistry and force-field methods. The overwhelming majority of present-day calculations in the 100-atom range use DFT. Although these methods have been very successful in quantum chemistry, they do not offer a well-defined hierarchy of calculations that allows one to systematically converge to the correct answer. Recently a number of rather spectacular failures of DFT methods have been found-even for seemingly simple systems such as hydrocarbons, fueling renewed interest in wave function-based methods that incorporate the relevant physics of electron correlation in a more systematic way. Thus, it would be highly desirable to fill the gap between 10 and 100 atoms with highly correlated ab initio methods. We have found that one of the earliest (and now
Accurate stress resultants equations for laminated composite deep thick shells
Qatu, M.S.
1995-11-01
This paper derives accurate equations for the normal and shear force as well as bending and twisting moment resultants for laminated composite deep, thick shells. The stress resultant equations for laminated composite thick shells are shown to be different from those of plates. This is due to the fact the stresses over the thickness of the shell have to be integrated on a trapezoidal-like shell element to obtain the stress resultants. Numerical results are obtained and showed that accurate stress resultants are needed for laminated composite deep thick shells, especially if the curvature is not spherical.
Vibrations of twisted cantilever plates - A comparison of theoretical results
NASA Technical Reports Server (NTRS)
Kielb, R. E.; Leissa, A. W.; Macbain, J. C.
1985-01-01
As a result of significant differences in the published results for various methods of analysis involving the use of finite element techniques, there are now some questions regarding the adequacy of these methods to predict accurately the vibratory characteristics of highly twisted cantilever plates. In an attempt to help in a resolution of the arising problems, a joint government/industry/university research effort was initiated. The primary objective of the present paper is to summarize the theoretical methods used in the study and show samples of the obtained results. The study provided 19 sets of theoretical results which are derived from beam theory, shell theory, and finite element methods.
Theoretical results for starved elliptical contacts
NASA Technical Reports Server (NTRS)
Hamrock, B. J.; Dowson, D.
1983-01-01
Eighteen cases were used in the theoretical study of the influence of lubricant starvation on film thickness and pressure in elliptical elastohydrodynamic conjunctions. From the results a simple and important critical dimensionless inlet boundary distance at which lubricant starvation becomes significant was specified. This inlet boundary distance defines whether a fully flooded or a starved condition exists in the contact. Furthermore, it was found that the film thickness for a starved condition is written in dimensionless terms as a function of the inlet distance parameter and the film thickness for a fully flooded condition. Contour plots of pressure and film thickness in and around the contact are shown for fully flooded and starved conditions.
Isodesmic reaction for accurate theoretical pKa calculations of amino acids and peptides.
Sastre, S; Casasnovas, R; Muñoz, F; Frau, J
2016-04-20
Theoretical and quantitative prediction of pKa values at low computational cost is a current challenge in computational chemistry. We report that the isodesmic reaction scheme provides semi-quantitative predictions (i.e. mean absolute errors of 0.5-1.0 pKa unit) for the pKa1 (α-carboxyl), pKa2 (α-amino) and pKa3 (sidechain groups) of a broad set of amino acids and peptides. This method fills the gaps of thermodynamic cycles for the computational pKa calculation of molecules that are unstable in the gas phase or undergo proton transfer reactions or large conformational changes from solution to the gas phase. We also report the key criteria to choose a reference species to make accurate predictions. This method is computationally inexpensive and makes use of standard density functional theory (DFT) and continuum solvent models. It is also conceptually simple and easy to use for researchers not specialized in theoretical chemistry methods. PMID:27052591
NASA Technical Reports Server (NTRS)
Mcgrath, W. R.; Richards, P. L.; Face, D. W.; Prober, D. E.; Lloyd, F. L.
1988-01-01
A systematic study of the gain and noise in superconductor-insulator-superconductor mixers employing Ta based, Nb based, and Pb-alloy based tunnel junctions was made. These junctions displayed both weak and strong quantum effects at a signal frequency of 33 GHz. The effects of energy gap sharpness and subgap current were investigated and are quantitatively related to mixer performance. Detailed comparisons are made of the mixing results with the predictions of a three-port model approximation to the Tucker theory. Mixer performance was measured with a novel test apparatus which is accurate enough to allow for the first quantitative tests of theoretical noise predictions. It is found that the three-port model of the Tucker theory underestimates the mixer noise temperature by a factor of about 2 for all of the mixers. In addition, predicted values of available mixer gain are in reasonable agreement with experiment when quantum effects are weak. However, as quantum effects become strong, the predicted available gain diverges to infinity, which is in sharp contrast to the experimental results. Predictions of coupled gain do not always show such divergences.
On the accurate theoretical determination of the static hyperpolarizability of trans-butadiene
NASA Astrophysics Data System (ADS)
Maroulis, George
1999-07-01
Finite-field many-body perturbation theory and coupled cluster calculations are reported for the static second dipole hyperpolarizability γαβγδ of trans-butadiene. A very large basis set of [9s6p4d1f/6s3p1d] size (336 contracted Gaussian-type functions) should lead to self-consistent field (SCF) values of near-Hartree-Fock quality. We report γxxxx=6.19, γxxxz=-0.44, γxxyy=3.42, γzzxx=2.07, γxyyz=-0.50, γxzzz=1.73, γyyyy=14.72, γyyzz=8.46, γzzzz=24.10 and γ¯=14.58 for 10-3×γαβγδ/e4a04Eh-3 at the experimental geometry (molecule on the xz plane with z as the main axis). γ¯=(14.6±0.4)×103e4a04Eh-3 should be a very reliable estimate of the Hartree-Fock limit of the mean hyperpolarizability. Keeping all other molecular geometry parameters constant, we find that near the Hartree-Fock limit the mean hyperpolarizability varies with the C=C bond length as 10-3×γ¯(RC=C)/e4a04Eh-3=14.93+31.78ΔR+30.88ΔR2-2.96ΔR3 and with the C-C bond length as 10-3×γ¯(RC-C)/e4a04Eh-3=14.93-7.20ΔR+3.04ΔR2, where ΔR/a0 is the displacement from the respective experimental value. The dependence of the components of γαβγδ on the molecular geometry parameters is not uniform. Electron correlation corrections have been calculated at various molecular geometries at the coupled-cluster single, double and perturbatively linked triple excitations level of theory for all independent components of γαβγδ. In absolute terms, electron correlation affects strongly the γzzzz, less strongly the γxxxx, and even less strongly the out-of-plane component γyyyy. The present analysis suggests a conservative estimate of (3.0±0.6)×103e4a04Eh-3 for the electron correlation correction to γ¯ at the experimental molecular geometry. Most of this value is appropriate to γzzzz. A static limit of γ¯=(17.6±1.0)×103e4a04Eh-3 is advanced (neglecting vibrational averaging). Even if a crude theoretical estimate of the dispersion of γ¯ at 1064 nm is added to this value, the
Comparison of theoretical and simulated performance results for sloppy-slotted Aloha signaling
NASA Astrophysics Data System (ADS)
Crozier, Stewart N.
Sloppy-slotted Aloha refers to a form of random access signaling which allows slotted packets, with random timing errors, to spill over into adjacent slots. For the North American mobile satellite (MSAT) system, the two-way propagation delay variation is on the order of 40 milliseconds. The higher the signaling rate, or the shorter the packet length, the wider the timing error distribution, measured in packet lengths. With 192 transmission bits per packet, a 40 millisecond timing error corresponds to 2 packet lengths at 9600 bits per second. Approximate theoretical and simulated performance results are presented and compared for a mixed Gaussian discrete timing error distribution model. This model allows a fraction of the users to have corrected timing. It is found that the theoretical approximations are generally quite accurate. Where differences are observed, the theoretical approximations are always found to be pessimistic. The conclusion is that the theoretical approximations can be used with confidence as a conservative measure of performance.
Accurate Analytic Results for the Steady State Distribution of the Eigen Model
NASA Astrophysics Data System (ADS)
Huang, Guan-Rong; Saakian, David B.; Hu, Chin-Kun
2016-04-01
Eigen model of molecular evolution is popular in studying complex biological and biomedical systems. Using the Hamilton-Jacobi equation method, we have calculated analytic equations for the steady state distribution of the Eigen model with a relative accuracy of O(1/N), where N is the length of genome. Our results can be applied for the case of small genome length N, as well as the cases where the direct numerics can not give accurate result, e.g., the tail of distribution.
Accurate Navier-Stokes results for the hypersonic flow over a spherical nosetip
Blottner, F.G.
1989-01-01
The unsteady thin-layer Navier-Stokes equations for a perfect gas are solved with a linearized block Alternating Direction Implicit finite-difference solution procedure. Solution errors due to numerical dissipation added to the governing equations are evaluated. Errors in the numerical predictions on three different grids are determined where Richardson extrapolation is used to estimate the exact solution. Accurate computational results are tabulated for the hypersonic laminar flow over a spherical body which can be used as a benchmark test case. Predictions obtained from the code are in good agreement with inviscid numerical results and experimental data. 9 refs., 11 figs., 3 tabs.
The min-conflicts heuristic: Experimental and theoretical results
NASA Technical Reports Server (NTRS)
Minton, Steven; Philips, Andrew B.; Johnston, Mark D.; Laird, Philip
1991-01-01
This paper describes a simple heuristic method for solving large-scale constraint satisfaction and scheduling problems. Given an initial assignment for the variables in a problem, the method operates by searching through the space of possible repairs. The search is guided by an ordering heuristic, the min-conflicts heuristic, that attempts to minimize the number of constraint violations after each step. We demonstrate empirically that the method performs orders of magnitude better than traditional backtracking techniques on certain standard problems. For example, the one million queens problem can be solved rapidly using our approach. We also describe practical scheduling applications where the method has been successfully applied. A theoretical analysis is presented to explain why the method works so well on certain types of problems and to predict when it is likely to be most effective.
Gradual ordering in mollusk shell nacre: theoretical modeling and experimental results
NASA Astrophysics Data System (ADS)
Coppersmith, Susan N.
2013-03-01
Biominerals have attracted the attention of materials scientists, biologists, and mineralogists as well as physicists because of their remarkable mechanical properties and incompletely elucidated formation mechanisms. Nacre, or mother-of-pearl, is a layered biomineral composite that is widely studied because of its self-assembled, efficient and accurately ordered architecture results in remarkable resistance to fracture. New experimental tools enable us to obtain new information about the organization and structure of the mineral tablets in nacre. Our experimental and theoretical investigations yield strong evidence that orientational ordering of these tablets is the result of dynamical self-organization. This work was supported by NSF award CHE&DMR-0613972, DOE award DE-FG02-07ER15899, UW-Graduate School Vilas Award to P.U.P.A. Gilbert, and NSF awards DMR-0209630 and DMR-0906951 to SNC.
Experimental and theoretical analysis results for high temperature air combustion
Tanigawa, Tadashi; Morita, Mitsunobu
1998-07-01
With Japan's preparation of its Action program to prevent global warming in 1990 and the holding of the United National Conference on Environment and Development (the Earth Summit) in 1992 as a backdrop, reflecting the global effort to protect the environment, a high performance industrial furnace development project was launched in 1993 by the New Energy and Industrial Technology Development Organization (NEDO). This project focuses on the development of a combustion technology which uses air that is preheated to extremely high temperatures (above 1,000 C), heretofore considered impossible. Not only can this technology reduce carbon dioxide emission, thought to cause the greenhouse effect, by over 30%, but it can also reduce nitrogen oxide emission by nearly half. This new technology makes use of the recently-developed high-cycle regenerative heat exchanger, for preheating the furnace air supply. This exchanger preheats air to above 1,000 C, much higher than for conventional furnaces, and then this air is injected with fuel. R and D data have shown that CO{sub 2} and NO{sub x} emissions can be reduced markedly. However, the theoretical analysis is yet to be made, thereby hampering efforts to have this advanced technology become widely adopted. This project accumulated new data related to uniform temperature distribution, high energy heat transfer and low NO{sub x} as common characteristics of high temperature air combustion.
Theoretical results for fully flooded, elliptical hydrodynamic contacts
NASA Technical Reports Server (NTRS)
Hamrock, B. J.; Dowson, D.
1982-01-01
The influence of the ellipticity parameter and the dimensionless speed, load, and materials parameters on minimum film thickness was investigated. The ellipticity parameter was varied from 1 (a ball-on-plate configuration) to 8 (a configuration approaching a line contact). The dimensionless speed parameter was varied over a range of nearly two orders of magnitude. Conditions corresponding to the use of solid materials of bronze, steel, and silicon nitride and lubricants of praffinic and naphthemic mineral oils were considered in obtaining the exponent in the dimensionless materials parameter. Thirty-four different cases were used in obtaining the minimum film thickness formula H min = 3.63U to the 0.68 power G to the 0.49 power W to the -0.073 power 1-e to the 0.68K power). A simplified expression for the ellipticity parameter was found where k = 1.03 (r(y)/r(x)) to the 0.64 power. Contour plots were also shown which indicate in detail the pressure spike and two side lobes in which the minimum film thickness occurs. These theoretical solutions of film thickness have all the essential features of the previously reported experimental observations based upon optical interferometry.
Some theoretical results in variable-rate optical communications.
NASA Technical Reports Server (NTRS)
Levitt, B. K.
1972-01-01
Review of several variable-rate optical transmission schemes over an earth-to-space link which neutralize the effects of atmospheric turbulence. These adaptive laser communication systems exploit atmospheric reciprocity and the relatively long coherence time of the turbulence to monitor the time-varying state of the earth-to-space channel by using a satellite beacon and making appropriate measurements at the ground terminal. Optimal variable-rate strategy based on this channel-state information results is considerably improved performance in comparison with nonadaptive optical communication systems.
Persistent GMTI surveillance: theoretical performance bounds and some experimental results
NASA Astrophysics Data System (ADS)
Balaji, Bhashyam; Damini, Anthony; Wang, Kai
2010-04-01
In certain operational radar modes, slow ground moving targets are detected over several processing intervals using space-time adaptive processing. This enables use of Bayesian filtering and smoothing algorithms for estimation of time-varying moving target parameters. In this paper, some Bayesian filtering algorithms are investigated. The Craḿer-Rao bounds based on subsets of radar measurements (range, angle and Doppler) are derived for typical maneuvering targets and compared against simulated results from Bayesian filters. The performance is also evaluated using real data obtained from DRDC Ottawa's XWEAR radar.
Theoretical and Experimental Results Regarding LENR/CF
Robert W. Bass; Wm. Stan Gleeson
2000-11-12
We challenge the predominant view that low-energy nuclear reactions (LENRs) are prohibited by standard quantum mechanics (QM). This view, supposedly based on standard nuclear theory, need not apply in condensed-matter environments. These considerations indicate that seemingly novel experimental evidence of rapid aneutronic bulk-process transmutation, at extraordinarily low-energy levels, in a simple electrochemical reactor, can occur. This explains: (a) induced rapid decay of radioactive thorium into stable nuclides, e.g., Cu and (b) resulting, anomalous distribution of Cu isotopes. We reexamine arguments of Peebles cited as evidence that standard QM 'forbids' cold fusion (CF). We note oversimplifications in those and present an alternative, more sophisticated calculation (see Bass, Refs. 3 through 8) demonstrating that conventional wisdom about impenetrability of the 'Coulomb barrier' fails as a result of periodic-order-induced resonance. We also examine empirical evidence. In three independent tests of an LENR electrolysis cell, using different I-V-T (current/voltage/time) protocols, the percentage of radiation reduction (RR) transmutation achieved {eta}=[23{percent}, 50{percent}, 83{percent}] versus expended energy E=[0.6535, 32.5, 74.6] (Watt-hours), obtained by numerical integration of recorded product I{center_dot}V for processing time T, provides near-perfect straight-line correlation: {eta}={alpha}{center_dot}E + {eta}{sub 0}, {alpha}=0.8105, {eta}{sub 0}=22.888, (0.65 < E < 0.75).
Some theoretical and numerical results for delayed neural field equations
NASA Astrophysics Data System (ADS)
Faye, Grégory; Faugeras, Olivier
2010-05-01
In this paper we study neural field models with delays which define a useful framework for modeling macroscopic parts of the cortex involving several populations of neurons. Nonlinear delayed integro-differential equations describe the spatio-temporal behavior of these fields. Using methods from the theory of delay differential equations, we show the existence and uniqueness of a solution of these equations. A Lyapunov analysis gives us sufficient conditions for the solutions to be asymptotically stable. We also present a fairly detailed study of the numerical computation of these solutions. This is, to our knowledge, the first time that a serious analysis of the problem of the existence and uniqueness of a solution of these equations has been performed. Another original contribution of ours is the definition of a Lyapunov functional and the result of stability it implies. We illustrate our numerical schemes on a variety of examples that are relevant to modeling in neuroscience.
NASA Astrophysics Data System (ADS)
Andrade, Ageo Meier de; Inacio, Patrícia Loren; Camilo, Alexandre
2015-12-01
The development of new conductive polymers nowadays is one of the most important technological areas in materials design. Computational investigation of desired properties in conductive polymers could save financial resources and time, but it is important to choose the methodology that produces good results comparing to experimental results. To verify the prediction of second hyperpolarizability (γ) in oligomers of Trans-Polyacetylene (TPA) by theoretical calculations, a series of semi-empirical, Hartree-Fock (HF), and Density Functional Theory (DFT) calculations were performed and analysed through linear fitting statistical analysis to investigate the accuracy of such theoretical predictions in comparison to the experimental ones. The results showed that HF and DFT methodologies do not describe γ with good accuracy, but the use of diffuse and polarizability functions in HF methodology provided better results than 3-21G and 6-31G functions. It was concluded that RM1 methodology better agrees with γ experimental results for TPA oligomers, and linear fitting statistical analysis is a useful tool to compare experimental and theoretical results.
de Andrade, Ageo Meier; Inacio, Patrícia Loren; Camilo, Alexandre
2015-12-28
The development of new conductive polymers nowadays is one of the most important technological areas in materials design. Computational investigation of desired properties in conductive polymers could save financial resources and time, but it is important to choose the methodology that produces good results comparing to experimental results. To verify the prediction of second hyperpolarizability (γ) in oligomers of Trans-Polyacetylene (TPA) by theoretical calculations, a series of semi-empirical, Hartree-Fock (HF), and Density Functional Theory (DFT) calculations were performed and analysed through linear fitting statistical analysis to investigate the accuracy of such theoretical predictions in comparison to the experimental ones. The results showed that HF and DFT methodologies do not describe γ with good accuracy, but the use of diffuse and polarizability functions in HF methodology provided better results than 3-21G and 6-31G functions. It was concluded that RM1 methodology better agrees with γ experimental results for TPA oligomers, and linear fitting statistical analysis is a useful tool to compare experimental and theoretical results. PMID:26723710
NASA Technical Reports Server (NTRS)
Schwenke, David W.
1990-01-01
The dissociation and recombination of H2 over the temperature range 1000-5000 K are calculated in a nonempirical manner. The computation procedure involves the calculation of the state-to-state energy transfer rate coefficients, the solution of the 349 coupled equations which form the master equation, and the determination of the phenomenological rate coefficients. The nonempirical results presented here are in good agreement with experimental data at 1000 and 3000 K.
NASA Technical Reports Server (NTRS)
Hawkins, Lawrence Allen
1988-01-01
Experimental results for the rotordynamic stiffness and damping coefficients of a labyrinth -rotor honeycomb-stator seal are presented. The coefficients are compared to the coefficients of a labyrinth-rotor smooth-stator seal having the same geometry. The coefficients are compared to analytical results from a two-control-volume compressible flow model. The experimental results show that the honeycomb stator configuration is more stable than the smooth stator configuration at low rotor speeds. At high rotor speeds and low clearance, the smooth stator seal is more stable. The theoretical model predicts the cross-coupled stiffness of the honeycomb stator seal correctly within 25 percent of measured values. The model provides accurate predictions of direct damping for large clearance seals. Overall, the model does not perform as well for low clearance seals as for high clearance seals.
NASA Technical Reports Server (NTRS)
Hawkins, Larry; Childs, Dara; Hale, Keith
1989-01-01
Experimental measurements are presented for the rotordynamic stiffness and damping coefficients of a teeth-on-rotor labyrinth seal with a honeycomb stator. Inlet circumferential velocity, inlet pressure, rotor speed, and seal clearance are primary variables. Results are compared to data for teeth-on-rotor labyrinth seals with smooth stators and to analytical predictions from a two-control-volume compressible flow model. The experimental results show that the honeycomb-stator configuration is more stable than the smooth-stator configuration at low rator speeds. At high rotor speeds, the stator surface does not affect stability. The theoretical model predicts the cross-coupled stiffness of the honeycomb-stator seal correctly within 25 percent of measured values. The model provides accurate predictions of direct damping for large clearance seals; however, the model predictions and test results diverge with increasing running speed. Overall, the model does not perform as well for low clearance seals as for high clearance seals.
Recent Results on the Accurate Measurements of the Dielectric Constant of Seawater at 1.413GHZ
NASA Technical Reports Server (NTRS)
Lang, R.H.; Tarkocin, Y.; Utku, C.; Le Vine, D.M.
2008-01-01
Measurements of the complex. dielectric constant of seawater at 30.00 psu, 35.00 psu and 38.27 psu over the temperature range from 5 C to 3 5 at 1.413 GHz are given and compared with the Klein-Swift results. A resonant cavity technique is used. The calibration constant used in the cavity perturbation formulas is determined experimentally using methanol and ethanediol (ethylene glycol) as reference liquids. Analysis of the data shows that the measurements are accurate to better than 1.0% in almost all cases studied.
NASA Technical Reports Server (NTRS)
Zender, George W
1956-01-01
The experimental deflections and stresses of six plastic multicell-wing models of unswept, delta, and swept plan form are presented and compared with previously published theoretical results obtained by the electrical analog method. The comparisons indicate that the theory is reliable except for the evaluation of stresses in the vicinity of the leading edge of delta wings and the leading and trailing edges of swept wings. The stresses in these regions are questionable, apparently because of simplifications employed in idealizing the actual structure for theoretical purposes and because of local effects of concentrated loads.
NASA Astrophysics Data System (ADS)
Fillon, Michel; Bligoud, Jean-Claude; Frene, Jean
1992-07-01
Operating characteristics of four-shoe tilting-pad journal bearings of 100 mm diameter and 70 mm length are determined on an experimental device. The load, between pad configuration, varies from 0 to 10,000 N and the rotational speed is up to 4000 rpm. Forty thermocouples are used in order to measure bearing element temperatures (babbitt, shaft, housing and oil baths). The influence of operating conditions and preload ratio on bearing performances are studied. Comparison between theoretical and experimental results is presented. The theoretical model is also performed on a large tilting-pad journal bearing which was investigated experimentally by other authors.
At Odds: Reconciling Experimental and Theoretical Results in High School Physics
ERIC Educational Resources Information Center
Gates, Joshua
2009-01-01
For this experiment, students are divided into 2 groups and presented with a static equilibrium force-balance problem to solve. One group works entirely experimentally and the other group theoretically, using Newton's laws. The groups present their seemingly dissimilar results and must reconcile them through discussion. (Contains 3 figures.)
Theoretical results on the tandem junction solar cell based on its Ebers-Moll transistor model
NASA Technical Reports Server (NTRS)
Goradia, C.; Vaughn, J.; Baraona, C. R.
1980-01-01
A one-dimensional theoretical model of the tandem junction solar cell (TJC) with base resistivity greater than about 1 ohm-cm and under low level injection has been derived. This model extends a previously published conceptual model which treats the TJC as an npn transistor. The model gives theoretical expressions for each of the Ebers-Moll type currents of the illuminated TJC and allows for the calculation of the spectral response, I(sc), V(oc), FF and eta under variation of one or more of the geometrical and material parameters and 1MeV electron fluence. Results of computer calculations based on this model are presented and discussed. These results indicate that for space applications, both a high beginning of life efficiency, greater than 15% AM0, and a high radiation tolerance can be achieved only with thin (less than 50 microns) TJC's with high base resistivity (greater than 10 ohm-cm).
Comparison of selected theoretical models of bubble formation and experimental results
NASA Astrophysics Data System (ADS)
Rząsa, Mariusz R.
2014-06-01
Designers of all types of equipment applied in oxygenation and aeration need to get to know the mechanism behind the gas bubble formation. This paper presents a measurement method used for determination of parameters of bubbles forming at jet attachment from which the bubles are displaced upward. The measuring system is based on an optical tomograph containing five projections. An image from the tomograph contains shapes of the forming bubbles and determine their volumes and formation rate. Additionally, this paper presents selected theoretical models known from literature. The measurement results have been compared with simple theoretical models predictions. The paper also contains a study of the potential to apply the presented method for determination of bubble structures and observation of intermediate states.
NASA Astrophysics Data System (ADS)
Pasternack, G. B.; Wyrick, J. R.; Jackson, J. R.
2014-12-01
Long practiced in fisheries, visual substrate mapping of coarse-bedded rivers is eschewed by geomorphologists for inaccuracy and limited sizing data. Geomorphologists perform time-consuming measurements of surficial grains, with the few locations precluding spatially explicit mapping and analysis of sediment facies. Remote sensing works for bare land, but not vegetated or subaqueous sediments. As visual systems apply the log2 Wentworth scale made for sieving, they suffer from human inability to readily discern those classes. We hypothesized that size classes centered on the PDF of the anticipated sediment size distribution would enable field crews to accurately (i) identify presence/absence of each class in a facies patch and (ii) estimate the relative amount of each class to within 10%. We first tested 6 people using 14 measured samples with different mixtures. Next, we carried out facies mapping for ~ 37 km of the lower Yuba River in California. Finally, we tested the resulting data to see if it produced statistically significant hydraulic-sedimentary-geomorphic results. Presence/absence performance error was 0-4% for four people, 13% for one person, and 33% for one person. The last person was excluded from further effort. For the abundance estimation performance error was 1% for one person, 7-12% for three people, and 33% for one person. This last person was further trained and re-tested. We found that the samples easiest to visually quantify were unimodal and bimodal, while those most difficult had nearly equal amounts of each size. This confirms psychological studies showing that humans have a more difficult time quantifying abundances of subgroups when confronted with well-mixed groups. In the Yuba, mean grain size decreased downstream, as is typical for an alluvial river. When averaged by reach, mean grain size and bed slope were correlated with an r2 of 0.95. At the morphological unit (MU) scale, eight in-channel bed MU types had an r2 of 0.90 between mean
NASA Technical Reports Server (NTRS)
Muraca, R. J.; Stephens, M. V.; Dagenhart, J. R.
1975-01-01
A general analysis capable of predicting performance characteristics of cross-wind axis turbines was developed, including the effects of airfoil geometry, support struts, blade aspect ratio, windmill solidity, blade interference and curved flow. The results were compared with available wind tunnel results for a catenary blade shape. A theoretical performance curve for an aerodynamically efficient straight blade configuration was also presented. In addition, a linearized analytical solution applicable for straight configurations was developed. A listing of the computer program developed for numerical solutions of the general performance equations is included in the appendix.
Silva, Romesh; Amouzou, Agbessi; Munos, Melinda; Marsh, Andrew; Hazel, Elizabeth; Victora, Cesar; Black, Robert; Bryce, Jennifer
2016-01-01
Introduction Most low-income countries lack complete and accurate vital registration systems. As a result, measures of under-five mortality rates rely mostly on household surveys. In collaboration with partners in Ethiopia, Ghana, Malawi, and Mali, we assessed the completeness and accuracy of reporting of births and deaths by community-based health workers, and the accuracy of annualized under-five mortality rate estimates derived from these data. Here we report on results from Ethiopia, Malawi and Mali. Method In all three countries, community health workers (CHWs) were trained, equipped and supported to report pregnancies, births and deaths within defined geographic areas over a period of at least fifteen months. In-country institutions collected these data every month. At each study site, we administered a full birth history (FBH) or full pregnancy history (FPH), to women of reproductive age via a census of households in Mali and via household surveys in Ethiopia and Malawi. Using these FBHs/FPHs as a validation data source, we assessed the completeness of the counts of births and deaths and the accuracy of under-five, infant, and neonatal mortality rates from the community-based method against the retrospective FBH/FPH for rolling twelve-month periods. For each method we calculated total cost, average annual cost per 1,000 population, and average cost per vital event reported. Results On average, CHWs submitted monthly vital event reports for over 95 percent of catchment areas in Ethiopia and Malawi, and for 100 percent of catchment areas in Mali. The completeness of vital events reporting by CHWs varied: we estimated that 30%-90% of annualized expected births (i.e. the number of births estimated using a FPH) were documented by CHWs and 22%-91% of annualized expected under-five deaths were documented by CHWs. Resulting annualized under-five mortality rates based on the CHW vital events reporting were, on average, under-estimated by 28% in Ethiopia, 32% in
NASA Astrophysics Data System (ADS)
Crivellini, A.
2016-02-01
This paper deals with the numerical performance of a sponge layer as a non-reflective boundary condition. This technique is well known and widely adopted, but only recently have the reasons for a sponge failure been recognised, in analysis by Mani. For multidimensional problems, the ineffectiveness of the method is due to the self-reflections of the sponge occurring when it interacts with an oblique acoustic wave. Based on his theoretical investigations, Mani gives some useful guidelines for implementing effective sponge layers. However, in our opinion, some practical indications are still missing from the current literature. Here, an extensive numerical study of the performance of this technique is presented. Moreover, we analyse a reduced sponge implementation characterised by undamped partial differential equations for the velocity components. The main aim of this paper relies on the determination of the minimal width of the layer, as well as of the corresponding strength, required to obtain a reflection error of no more than a few per cent of that observed when solving the same problem on the same grid, but without employing the sponge layer term. For this purpose, a test case of computational aeroacoustics, the single airfoil gust response problem, has been addressed in several configurations. As a direct consequence of our investigation, we present a well documented and highly validated reference solution for the far-field acoustic intensity, a result that is not well established in the literature. Lastly, the proof of the accuracy of an algorithm for coupling sub-domains solved by the linear and non-liner Euler governing equations is given. This result is here exploited to adopt a linear-based sponge layer even in a non-linear computation.
NASA Astrophysics Data System (ADS)
Dirba, I.; Kleperis, J.
2011-01-01
Analytical and numerical modelling is performed for the linear actuator of a parallel path magnet motor. In the model based on finite-element analysis, the 3D problem is reduced to a 2D problem, which is sufficiently precise in a design aspect and allows modelling the principle of a parallel path motor. The paper also describes a relevant numerical model and gives comparison with experimental results. The numerical model includes all geometrical and physical characteristics of the motor components. The magnetic flux density and magnetic force are simulated using FEMM 4.2 software. An experimental model has also been developed and verified for the core of switchable magnetic flux linear actuator and motor. The results of experiments are compared with those of theoretical/analytical and numerical modelling.
NASA Technical Reports Server (NTRS)
Richards, P. G.; Torr, D. G.
1981-01-01
A simplified method for the evaluation of theoretical photoelectron fluxes in the upper atmosphere resulting from the solar radiation at 304 A is presented. The calculation is based on considerations of primary and cascade (secondary) photoelectron production in the two-stream model, where photoelectron transport is described by two electron streams, one moving up and one moving down, and of loss rates due to collisions with neutral gases and thermal electrons. The calculation is illustrated for the case of photoelectrons at an energy of 24.5 eV, and it is noted that the 24.5-eV photoelectron flux may be used to monitor variations in the solar 304 A flux. Theoretical calculations based on various ionization and excitation cross sections of Banks et al. (1974) are shown to be in generally good agreement with AE-E measurements taken between 200 and 235 km, however the use of more recent, larger cross sections leads to photoelectron values a factor of two smaller than observations but in agreement with previous calculations. It is concluded that a final resolution of the photoelectron problem may depend on a reevaluation of the inelastic electron collision cross sections.
Lüdecke, Daniel
2014-01-01
Introduction Health care providers seek to improve patient-centred care. Due to fragmentation of services, this can only be achieved by establishing integrated care partnerships. The challenge is both to control costs while enhancing the quality of care and to coordinate this process in a setting with many organisations involved. The problem is to establish control mechanisms, which ensure sufficiently consideration of patient centredness. Theory and methods Seventeen qualitative interviews have been conducted in hospitals of metropolitan areas in northern Germany. The documentary method, embedded into a systems theoretical framework, was used to describe and analyse the data and to provide an insight into the specific perception of organisational behaviour in integrated care. Results The findings suggest that integrated care partnerships rely on networks based on professional autonomy in the context of reliability. The relationships of network partners are heavily based on informality. This correlates with a systems theoretical conception of organisations, which are assumed autonomous in their decision-making. Conclusion and discussion Networks based on formal contracts may restrict professional autonomy and competition. Contractual bindings that suppress the competitive environment have negative consequences for patient-centred care. Drawbacks remain due to missing self-regulation of the network. To conclude, less regimentation of integrated care partnerships is recommended. PMID:25411573
MHD activity in the ISX-B tokamak: experimental results and theoretical interpretation
Carreras, B.A.; Dunlap, J.L.; Bell, J.D.; Charlton, L.A.; Cooper, W.A.; Dory, R.A.; Hender, T.C.; Hicks, H.R.; Holmes, J.A.; Lynch, V.E.
1982-01-01
The observed spectrum of MHD fluctuations in the ISX-B tokamak is clearly dominated by the n=1 mode when the q=1 surface is in the plasma. This fact agrees well with theoretical predictions based on 3-D resistive MHD calculations. They show that the (m=1; n=1) mode is then the dominant instability. It drives other n=1 modes through toroidal coupling and n>1 modes through nonlinear couplings. These theoretically predicted mode structures have been compared in detail with the experimentally measured wave forms (using arrays of soft x-ray detectors). The agreement is excellent. More detailed comparisons between theory and experiment have required careful reconstructions of the ISX-B equilibria. The equilibria so constructed have permitted a precise evaluation of the ideal MHD stability properties of ISX-B. The present results indicate that the high ..beta.. ISX-B equilibria are marginally stable to finite eta ideal MHD modes. The resistive MHD calculations also show that at finite ..beta.. there are unstable resistive pressure driven modes.
NASA Astrophysics Data System (ADS)
Brihi, O.; Medjroubi, M. L.; Hamdouni, N.; Meinnel, J.; Boucekkine, A.; Boudjada, A.
The aim by our group is to understand the behaviour of the grouping methyl starting from the study of molecules having a great symmetry. In this part of work, it is had the crystalline structure of the dinitromesitylen (DNM) who is solved starting from the diffraction of x-rays starting from a monocrystal at the ambient temperature. Parallel to the experimental study, we undertook theoretical calculations conformation of the insulated molecule of DNM by using the methods of the DFT (Density Functional Theory).Calculations of optimization of the molecular conformation of the DNM by using the chain of program GAUSSIAN03 and functional MPW1PW91, B3LYP level with the 6-311G and LANL2DZ bases gave a conformation Cs with results very close to the experiment for the lengths and the angles of bond. The computation results obtained starting from the base set (6-311G) and functional MPW1PW91 give for the conformation of Dinitromesitylen (DNM) a good agreement of about a 1.9% for the lengths of bond and 1.2% for the angles of bond compared with the results of the diffraction of x-rays. Calculations of Raman and infra-red spectroscopy undertaken starting from the results of optimization by using same functional MPW1PW91 and B3LYP and the sets of bases 6-311G LanL2DZ led to the values of frequencies very close to the experimental results.
NASA Astrophysics Data System (ADS)
Olivier, Thomas; Billard, Franck; Akhouayri, Hassan
2004-06-01
Self-focusing is one of the dramatic phenomena that may occur during the propagation of a high power laser beam in a nonlinear material. This phenomenon leads to a degradation of the wave front and may also lead to a photoinduced damage of the material. Realistic simulations of the propagation of high power laser beams require an accurate knowledge of the nonlinear refractive index γ. In the particular case of fused silica and in the nanosecond regime, it seems that electronic mechanisms as well as electrostriction and thermal effects can lead to a significant refractive index variation. Compared to the different methods used to measure this parmeter, the Z-scan method is simple, offers a good sensitivity and may give absolute measurements if the incident beam is accurately studied. However, this method requires a very good knowledge of the incident beam and of its propagation inside a nonlinear sample. We used a split-step propagation algorithm to simlate Z-scan curves for arbitrary beam shape, sample thickness and nonlinear phase shift. According to our simulations and a rigorous analysis of the Z-scan measured signal, it appears that some abusive approximations lead to very important errors. Thus, by reducing possible errors on the interpretation of Z-scan experimental studies, we performed accurate measurements of the nonlinear refractive index of fused silica that show the significant contribution of nanosecond mechanisms.
NASA Astrophysics Data System (ADS)
Sahin, O. K.; Asci, M.
2014-12-01
At this study, determination of theoretical parameters for inversion process of Trabzon-Sürmene-Kutlular ore bed anomalies was examined. Making a decision of which model equation can be used for inversion is the most important step for the beginning. It is thought that will give a chance to get more accurate results. So, sections were evaluated with sphere-cylinder nomogram. After that, same sections were analyzed with cylinder-dike nomogram to determine the theoretical parameters for inversion process for every single model equations. After comparison of results, we saw that only one of them was more close to parameters of nomogram evaluations. But, other inversion result parameters were different from their nomogram parameters.
The Supernova Remnant 3C 400.2: Kinematics of its Ionized Gas and Theoretical Results
NASA Astrophysics Data System (ADS)
Ambrocio-Cruz, P.; de La Fuente, E.; Rosado, M.; Velázquez, P. F.
2003-01-01
3C 400.2 is a supernova remnant (SNR) with a complex morphology consisting of two overlapped shells of different diameters: a large shell at the southeast and a small shell at the northwest. High-resolution radio-continuum observations carried out by Dubner et al. (1994) suggested that this complex morphology could be due to the interaction of two SNRs. However, this view has been challenged by recent studies of the H I distribution around this SNR (Giacani et al. 1998) and by the confrontation of theoretical evolutionary models with the morphology at H alpha of this remnant (Velazquez et al. 2001). These recent results suggest that the double shell structure is produced by a single supernova explosion initially expanding into a dense medium encountering a lower density medium and producing a blowout. In this work we present the results of H alpha Fabry-Perot observations obtained with the PUMA equipment at the 2.1 m telescope of the Observatorio Astronómico Nacional at San Pedro Mártir, B. C., México. The kinematic results obtained can allow us to distinguish between those possibilities: two supernova explosions or one supernova explosion undergoing a blowout due to a density gradient.
Low power underwater acoustic DPSK detection: Theoretical prediction and experimental results
NASA Astrophysics Data System (ADS)
Dunne, Andrew
This thesis presents two methods of analyzing the effectiveness of a prototype differential phase-shift keying (DPSK) detection circuit. The first method is to make modifications to the existing hardware to reliably output and record the cross-correlation values of the DPSK detection process. The second method is to write a MATLAB detection algorithm which accurately simulates the detection results of the hardware system without the need of any electronics. These two systems were tested and verified with a bench test using computer generated DPSK signals. The hardware system was tested using real acoustic data from shallow and deep water at-sea tests to determine the effectiveness of the DPSK detection circuit in different ocean environments. The hydrophone signals from the tests were recorded so that the cross-correlation values could be verified using the MATLAB detector. As a result of this study, these two systems provided more insight into how well the DPSK detection prototype works and helped to identify ways of improving the detection reliability and overall performance of the prototype DPSK detection circuit.
LiF TLD-100 as a Dosimeter in High Energy Proton Beam Therapy-Can It Yield Accurate Results?
Zullo, John R. Kudchadker, Rajat J.; Zhu, X. Ronald; Sahoo, Narayan; Gillin, Michael T.
2010-04-01
In the region of high-dose gradients at the end of the proton range, the stopping power ratio of the protons undergoes significant changes, allowing for a broad spectrum of proton energies to be deposited within a relatively small volume. Because of the potential linear energy transfer dependence of LiF TLD-100 (thermolumescent dosimeter), dose measurements made in the distal fall-off region of a proton beam may be less accurate than those made in regions of low-dose gradients. The purpose of this study is to determine the accuracy and precision of dose measured using TLD-100 for a pristine Bragg peak, particularly in the distal fall-off region. All measurements were made along the central axis of an unmodulated 200-MeV proton beam from a Probeat passive beam-scattering proton accelerator (Hitachi, Ltd., Tokyo, Japan) at varying depths along the Bragg peak. Measurements were made using TLD-100 powder flat packs, placed in a virtual water slab phantom. The measurements were repeated using a parallel plate ionization chamber. The dose measurements using TLD-100 in a proton beam were accurate to within {+-}5.0% of the expected dose, previously seen in our past photon and electron measurements. The ionization chamber and the TLD relative dose measurements agreed well with each other. Absolute dose measurements using TLD agreed with ionization chamber measurements to within {+-} 3.0 cGy, for an exposure of 100 cGy. In our study, the differences in the dose measured by the ionization chamber and those measured by TLD-100 were minimal, indicating that the accuracy and precision of measurements made in the distal fall-off region of a pristine Bragg peak is within the expected range. Thus, the rapid change in stopping power ratios at the end of the range should not affect such measurements, and TLD-100 may be used with confidence as an in vivo dosimeter for proton beam therapy.
Benetazzo, Flavia; Freddi, Alessandro; Monteriù, Andrea; Longhi, Sauro
2014-09-01
Both the theoretical background and the experimental results of an algorithm developed to perform human respiratory rate measurements without any physical contact are presented. Based on depth image sensing techniques, the respiratory rate is derived by measuring morphological changes of the chest wall. The algorithm identifies the human chest, computes its distance from the camera and compares this value with the instantaneous distance, discerning if it is due to the respiratory act or due to a limited movement of the person being monitored. To experimentally validate the proposed algorithm, the respiratory rate measurements coming from a spirometer were taken as a benchmark and compared with those estimated by the algorithm. Five tests were performed, with five different persons sat in front of the camera. The first test aimed to choose the suitable sampling frequency. The second test was conducted to compare the performances of the proposed system with respect to the gold standard in ideal conditions of light, orientation and clothing. The third, fourth and fifth tests evaluated the algorithm performances under different operating conditions. The experimental results showed that the system can correctly measure the respiratory rate, and it is a viable alternative to monitor the respiratory activity of a person without using invasive sensors. PMID:26609383
NASA Astrophysics Data System (ADS)
Almeida de Mendonça, João Paulo; Henrique de Lima, Alessandro; Amaral Junqueira, Georgia Maria; Gianini Quirino, Welber; Legnani, Cristiano; Oliveira Maciel, Indhira; Sato, Fernando
2016-05-01
We use the Coronene (C24H12), a simple and finite molecule, to make a model to study the spectroscopic and structural alterations generated by oxygenated groups in graphene oxide (GO). Based on the Lerf–Klinowski model, we chose the hydroxyl [OH‑], the carboxyl [COOH‑] and the epoxy [the ring C2O inside the molecule] as our radicals of interest and study their collective and isolated effects. We perform geometry optimization, vibrational IR (via AM1 and DFT-B3LYP) and Raman spectra (via DFT-B3LYP) of a series of functionalized coronene molecules. As results, we obtain some useful data for the analysis of IR and Raman spectra of GO, which facilitate the understanding and identification of the peaks found in the experiment. Finally, we suggest a new model to study GO, producing an accurate signature when compared to our experimental data. Such molecule shows in more details of the structural effects caused by functionalization when compared to experimental data.
Frequency-dependent seismic attenuation in shales: experimental results and theoretical analysis
NASA Astrophysics Data System (ADS)
Delle Piane, Claudio; Sarout, Joel; Madonna, Claudio; Saenger, Erik H.; Dewhurst, David N.; Raven, Mark
2014-07-01
Samples of shales from the Ordovician Bongabinni and Goldwyer source rock formations were recovered from the Canning Basin (Western Australia). Attenuation was experimentally measured on preserved plugs from these formations in the frequency range between 10-2 and 102 Hz. Samples cored with different orientations with respect to the sedimentary bedding were prepared and tested in their native saturated state and after drying in the oven at 105 °C for 24 hr to assess the effect of fluids and of the sediment anisotropy on attenuation. To aid the interpretation of the experimental results, the clay-rich samples were characterized in terms of mineralogy, water content, porosity, permeability and microstructure. The two shales have significantly different quality factors; and this is seen to be dependent on both the saturation state of the samples and the propagation direction of the oscillatory signal. The attenuation coefficient for compression/extension parallel to bedding is less than that vertical to bedding in both the preserved and partially dehydrated situations. No frequency dependency is observed in the preserved samples within the range of frequencies explored in this study. On the other hand partially saturated samples show peaks in attenuation at around 40 Hz when the stress perturbation is transmitted normal to the macroscopic bedding. The interpretation of the attenuation measurements in terms of well-established theoretical models is discussed in view of the physical characteristics and microstructure of the tested rocks.
NASA Astrophysics Data System (ADS)
Lopes, Sílvia R. C.; Prass, Taiane S.
2014-05-01
Here we present a theoretical study on the main properties of Fractionally Integrated Exponential Generalized Autoregressive Conditional Heteroskedastic (FIEGARCH) processes. We analyze the conditions for the existence, the invertibility, the stationarity and the ergodicity of these processes. We prove that, if { is a FIEGARCH(p,d,q) process then, under mild conditions, { is an ARFIMA(q,d,0) with correlated innovations, that is, an autoregressive fractionally integrated moving average process. The convergence order for the polynomial coefficients that describes the volatility is presented and results related to the spectral representation and to the covariance structure of both processes { and { are discussed. Expressions for the kurtosis and the asymmetry measures for any stationary FIEGARCH(p,d,q) process are also derived. The h-step ahead forecast for the processes {, { and { are given with their respective mean square error of forecast. The work also presents a Monte Carlo simulation study showing how to generate, estimate and forecast based on six different FIEGARCH models. The forecasting performance of six models belonging to the class of autoregressive conditional heteroskedastic models (namely, ARCH-type models) and radial basis models is compared through an empirical application to Brazilian stock market exchange index.
Peterson, K.A.; Skokov, S.; Bowman, J.M.
1999-10-01
A new, global analytical potential energy surface is constructed for the X&hthinsp;{sup 1}A{sup {prime}} electronic ground state of HOCl that accurately includes the HClO isomer. The potential is obtained by using accurate {ital ab initio} data from a previously published surface [Skokov {ital et al.}, J. Chem. Phys. {bold 109}, 2662 (1998)], as well as a significant number of new data for the HClO region of the surface at the same multireference configuration interaction, complete basis set limit level of theory. Vibrational energy levels and intensities are computed for both HOCl and HClO up to the OH+Cl dissociation limit and above the isomerization barrier. After making only minor adjustments to the {ital ab initio} surface, the errors with respect to experiment for HOCl are generally within a few cm{sup {minus}1} for 22 vibrational levels with the largest error being 26 cm{sup {minus}1}. A total of 813 bound vibrational states are calculated for HOCl. The HClO potential well supports 57 localized states, of which only the first 3 are bound. The strongest dipole transitions for HClO were computed for the fundamentals{emdash}33, 2.9, and 25 km/mol for {nu}{sub 1}, {nu}{sub 2}, and {nu}{sub 3}, respectively. From exact J=1 ro-vibrational calculations, state dependent rotational constants have been calculated for HClO. Lastly, resonance calculations with the new potential demonstrate that the presence of the HClO minimum has a negligible effect on the resonance states of HOCl near the dissociation threshold due to the relatively high and wide isomerization barrier. {copyright} {ital 1999 American Institute of Physics.}
NASA Astrophysics Data System (ADS)
Lecoq, Nicolas
2012-12-01
Hydrodynamic interactions between particles and walls are relevant for the open problem of specifying boundary conditions for suspension flows. The Reynolds number around a small particle close to a wall is usually low and creeping flow equations apply. From the solution of these equations, the drag coefficient on a sphere becomes infinite when the gap between the sphere and a smooth wall vanishes, so that contact may not occur. Physically, the drag is finite because of various reasons, one of them being the particle and wall roughness. Then, for vanishing gap, even though some layers of fluid molecules may be left between the particle and wall roughness peaks, it may conventionally be said that contact occurs. In this paper, we are considering the example of a smooth sphere moving towards a rough wall. The roughness considered here consist of random rough planes or parallel periodic wedges, the characteristic length of which is small compared with the sphere radius. This problem is considered both experimentally and theoretically. The motion of a millimetre size bead settling towards a corrugated horizontal wall in a viscous oil is measured with laser interferometry giving an accuracy on the displacement of 0.2μm. Several random rough planes and wedge shaped walls were used, with various wavelengths and wedge angles. From the results, it is observed that the velocity of the sphere is, except for small gaps, similar to that towards a smooth plane that is shifted down from the top of corrugations. For the periodic wedges, the creeping flow is calculated as a series in the slope of the roughness grooves. The convergence of the series for the shift distance in term of the slope is accelerated by use of Euler transformation and of the existence of a limit for large slope. The cases of a flow along and across the grooves are considered separately. The shift is larger in the former case. Slightly flattened tops of the wedges used in experiments are also considered in
NASA Astrophysics Data System (ADS)
Predoi-Cross, Adriana; Holladay, Christopher; Heung, Henry; Bouanich, Jean-Pierre; Mellau, Georg Ch.; Keller, Reimund; Hurtmans, Daniel R.
2008-09-01
We report measurements for N 2-broadening, pressure-shift and line mixing coefficients for 55 oxygen transitions in the A-band retrieved using a multispectrum fitting technique. Nineteen laboratory absorption spectra were recorded at 0.02 cm -1 resolution using a multi-pass absorption cell with path length of 1636.9 cm and the IFS 120 Fourier transform spectrometer located at Justus-Liebig-University in Giessen, Germany. The total sample pressures ranged from 8.8 to 3004.5 Torr with oxygen volume mixing ratios in nitrogen ranging between 0.057 and 0.62. An Exponential Power Gap (EPG) scaling law was used to calculate the N 2-broadening and N 2-line mixing coefficients. The line broadening and shift coefficients for the A-band of oxygen self-perturbed and perturbed by N 2 are modeled using semiclassical calculations based on the Robert-Bonamy formalism and two intermolecular potentials. These potentials involve electrostatic contributions including the hexadecapole moment of the molecules and (a) a simple dispersion contribution with one adjustable parameter to fit the broadening coefficients or (b) the atom-atom Lennard-Jones model without such adjustable parameters. The first potential leads to very weak broadening coefficients for high J transitions whereas the second potential gives much more improved results at medium and large J values, in reasonable agreement with the experimental data. For the line shifts which mainly arise in our calculation from the electronic state dependence of the isotropic potential, their general trends with increasing J values can be well predicted, especially from the first potential. From the theoretical results, we have derived air-broadening and air-induced shift coefficients with an agreement comparable to that obtained for O 2-O 2 and O 2-N 2.
Minetti, A E; Ardigò, L P; Susta, D; Cotelli, F
1998-12-01
The use of muscles as power dissipators is investigated in this study, both from the modellistic and the experimental points of view. Theoretical predictions of the drop landing manoeuvre for a range of initial conditions have been obtained by accounting for the mechanical characteristics of knee extensor muscles, the limb geometry and assuming maximum neural activation. Resulting dynamics have been represented in the phase plane (vertical displacement versus speed) to better classify the damping performance. Predictions of safe landing in sedentary subjects were associated to dropping from a maximum (feet) height of 1.6-2.0 m (about 11 m on the moon). Athletes can extend up to 2.6-3.0 m, while for obese males (m = 100 kg, standard stature) the limit should reduce to 0.9-1.3 m. These results have been calculated by including in the model the estimated stiffness of the 'global elastic elements' acting below the squat position. Experimental landings from a height of 0.4, 0.7, 1.1 m (sedentary males (SM) and male (AM) and female (AF) athletes from the alpine ski national team) showed dynamics similar to the model predictions. While the peak power (for a drop height of about 0.7 m) was similar in SM and AF (AM shows a +40% increase, about 33 W/kg), AF stopped the downward movement after a time interval (0.219 +/- 0.030 s) from touch-down 20% significantly shorter than SM. Landing strategy and the effect of anatomical constraints are discussed in the paper. PMID:9857837
Kim, Ellen S; Satter, Martin; Reed, Marilyn; Fadell, Ronald; Kardan, Arash
2016-06-01
Glioblastoma multiforme (GBM) is the most common and lethal malignant glioma in adults. Currently, the modality of choice for diagnosing brain tumor is high-resolution magnetic resonance imaging (MRI) with contrast, which provides anatomic detail and localization. Studies have demonstrated, however, that MRI may have limited utility in delineating the full tumor extent precisely. Studies suggest that MR spectroscopy (MRS) can also be used to distinguish high-grade from low-grade gliomas. However, due to operator dependent variables and the heterogeneous nature of gliomas, the potential for error in diagnostic accuracy with MRS is a concern. Positron emission tomography (PET) imaging with (11)C-methionine (MET) and (18)F-fluorodeoxyglucose (FDG) has been shown to add additional information with respect to tumor grade, extent, and prognosis based on the premise of biochemical changes preceding anatomic changes. Combined PET/MRS is a technique that integrates information from PET in guiding the location for the most accurate metabolic characterization of a lesion via MRS. We describe a case of glioblastoma multiforme in which MRS was initially non-diagnostic for malignancy, but when MRS was repeated with PET guidance, demonstrated elevated choline/N-acetylaspartate (Cho/NAA) ratio in the right parietal mass consistent with a high-grade malignancy. Stereotactic biopsy, followed by PET image-guided resection, confirmed the diagnosis of grade IV GBM. To our knowledge, this is the first reported case of an integrated PET/MRS technique for the voxel placement of MRS. Our findings suggest that integrated PET/MRS may potentially improve diagnostic accuracy in high-grade gliomas. PMID:27122050
NASA Astrophysics Data System (ADS)
Sun, Yuansheng; Periasamy, Ammasi
2010-03-01
Förster resonance energy transfer (FRET) microscopy is commonly used to monitor protein interactions with filter-based imaging systems, which require spectral bleedthrough (or cross talk) correction to accurately measure energy transfer efficiency (E). The double-label (donor+acceptor) specimen is excited with the donor wavelength, the acceptor emission provided the uncorrected FRET signal and the donor emission (the donor channel) represents the quenched donor (qD), the basis for the E calculation. Our results indicate this is not the most accurate determination of the quenched donor signal as it fails to consider the donor spectral bleedthrough (DSBT) signals in the qD for the E calculation, which our new model addresses, leading to a more accurate E result. This refinement improves E comparisons made with lifetime and spectral FRET imaging microscopy as shown here using several genetic (FRET standard) constructs, where cerulean and venus fluorescent proteins are tethered by different amino acid linkers.
NASA Technical Reports Server (NTRS)
Morse, D. R. A.; Sahlberg, J. T.
1977-01-01
The Pacific Northwest Land Resources Inventory Demonstration Project i s an a ttempt to combine a whole spectrum of heterogeneous geographic, institutional and applications elements in a synergistic approach to the evaluation of remote sensing techniques. This diversity is the prime motivating factor behind a theoretical investigation of alternative economic analysis procedures. For a multitude of reasons--simplicity, ease of understanding, financial constraints and credibility, among others--cost-effectiveness emerges as the most practical tool for conducting such evaluation determinatIons in the Pacific Northwest. Preliminary findings in two water resource application areas suggest, in conformity with most published studies, that Lands at-aided data collection methods enjoy substantial cost advantages over alternative techniques. The pntential for sensitivity analysis based on cost/accuracy tradeoffs is considered on a theoretical plane in the absence of current accuracy figures concerning the Landsat-aided approach.
NASA Astrophysics Data System (ADS)
West, J. B.; Ehleringer, J. R.; Cerling, T.
2006-12-01
Understanding how the biosphere responds to change it at the heart of biogeochemistry, ecology, and other Earth sciences. The dramatic increase in human population and technological capacity over the past 200 years or so has resulted in numerous, simultaneous changes to biosphere structure and function. This, then, has lead to increased urgency in the scientific community to try to understand how systems have already responded to these changes, and how they might do so in the future. Since all biospheric processes exhibit some patchiness or patterns over space, as well as time, we believe that understanding the dynamic interactions between natural systems and human technological manipulations can be improved if these systems are studied in an explicitly spatial context. We present here results of some of our efforts to model the spatial variation in the stable isotope ratios (δ2H and δ18O) of plants over large spatial extents, and how these spatial model predictions compare to spatially explicit data. Stable isotopes trace and record ecological processes and as such, if modeled correctly over Earth's surface allow us insights into changes in biosphere states and processes across spatial scales. The data-model comparisons show good agreement, in spite of the remaining uncertainties (e.g., plant source water isotopic composition). For example, inter-annual changes in climate are recorded in wine stable isotope ratios. Also, a much simpler model of leaf water enrichment driven with spatially continuous global rasters of precipitation and climate normals largely agrees with complex GCM modeling that includes leaf water δ18O. Our results suggest that modeling plant stable isotope ratios across large spatial extents may be done with reasonable accuracy, including over time. These spatial maps, or isoscapes, can now be utilized to help understand spatially distributed data, as well as to help guide future studies designed to understand ecological change across
The route to MBxNyCz molecular wheels: II. Results using accurate functionals and basis sets
NASA Astrophysics Data System (ADS)
Güthler, A.; Mukhopadhyay, S.; Pandey, R.; Boustani, I.
2014-04-01
Applying ab initio quantum chemical methods, molecular wheels composed of metal and light atoms were investigated. High quality basis sets 6-31G*, TZPV, and cc-pVTZ as well as exchange and non-local correlation functionals B3LYP, BP86 and B3P86 were used. The ground-state energy and structures of cyclic planar and pyramidal clusters TiBn (for n = 3-10) were computed. In addition, the relative stability and electronic structures of molecular wheels TiBxNyCz (for x, y, z = 0-10) and MBnC10-n (for n = 2 to 5 and M = Sc to Zn) were determined. This paper sustains a follow-up study to the previous one of Boustani and Pandey [Solid State Sci. 14 (2012) 1591], in which the calculations were carried out at the HF-SCF/STO3G/6-31G level of theory to determine the initial stability and properties. The results show that there is a competition between the 2D planar and the 3D pyramidal TiBn clusters (for n = 3-8). Different isomers of TiB10 clusters were also studied and a structural transition of 3D-isomer into 2D-wheel is presented. Substitution boron in TiB10 by carbon or/and nitrogen atoms enhances the stability and leads toward the most stable wheel TiB3C7. Furthermore, the computations show that Sc, Ti and V at the center of the molecular wheels are energetically favored over other transition metal atoms of the first row.
NASA Technical Reports Server (NTRS)
Childs, D. W.; Nelson, C. C.; Elrod, D.; Nicks, C.
1985-01-01
The test facility and initial test program developed to experimentally measure the fluid forces induced by annular gas seals is described. A comparison of theoretically predicted and experimentally obtained data for smooth and honeycomb seals is provided. And a comparison of experimental data from the tests of three smooth-rotor/smooth-stator seals is provided. The leakage of the working fluid through the seal, the pressure gradient along the seal length, entrance pressure-loss data, and rotordynamic coefficients provide a basis for comparison. A short discussion on seal theory is included, and various rotordynamic coefficient identification schemes are described.
New theoretical results for the Lehmann effect in cholesteric liquid crystals
NASA Technical Reports Server (NTRS)
Brand, Helmut R.; Pleiner, Harald
1988-01-01
The Lehmann effect arising in a cholesteric liquid crystal drop when a temperature gradient is applied parallel to its helical axis is investigated theoretically using a local approach. A pseudoscalar quantity is introduced to allow for cross couplings which are absent in nematic liquid crystals, and the statics and dissipative dynamics are analyzed in detail. It is shown that the Lehmann effect is purely dynamic for the case of an external electric field and purely static for an external density gradient, but includes both dynamic and static coupling contributions for the cases of external temperature or concentration gradients.
NASA Astrophysics Data System (ADS)
Conti, Livia; De Gregorio, Paolo; Bonaldi, Michele; Borrielli, Antonio; Crivellari, Michele; Karapetyan, Gagik; Poli, Charles; Serra, Enrico; Thakur, Ram-Krishna; Rondoni, Lamberto
2012-06-01
We study experimentally, numerically, and theoretically the elastic response of mechanical resonators along which the temperature is not uniform, as a consequence of the onset of steady-state thermal gradients. Two experimental setups and designs are employed, both using low-loss materials. In both cases, we monitor the resonance frequencies of specific modes of vibration, as they vary along with variations of temperatures and of temperature differences. In one case, we consider the first longitudinal mode of vibration of an aluminum alloy resonator; in the other case, we consider the antisymmetric torsion modes of a silicon resonator. By defining the average temperature as the volume-weighted mean of the temperatures of the respective elastic sections, we find out that the elastic response of an object depends solely on it, regardless of whether a thermal gradient exists and, up to 10% imbalance, regardless of its magnitude. The numerical model employs a chain of anharmonic oscillators, with first- and second-neighbor interactions and temperature profiles satisfying Fourier's Law to a good degree. Its analysis confirms, for the most part, the experimental findings and it is explained theoretically from a statistical mechanics perspective with a loose notion of local equilibrium.
NASA Technical Reports Server (NTRS)
Childs, Dara W.; Alexander, Chis
1994-01-01
This viewgraph presentation presents the following results: (1) The analytical results overpredict the experimental results for the direct stiffness values and incorrectly predict increasing stiffness with decreasing pressure ratios. (2) Theory correctly predicts increasing cross-coupled stiffness, K(sub YX), with increasing eccentricity and inlet preswirl. (3) Direct damping, C(sub XX), underpredicts the experimental results, but the analytical results do correctly show that damping increases with increasing eccentricity. (4) The whirl frequency values predicted by theory are insensitive to changes in the static eccentricity ratio. Although these values match perfectly with the experimental results at 16,000 rpm, the results at the lower speed do not correspond. (5) Theoretical and experimental mass flow rates match at 5000 rpm, but at 16,000 rpm the theoretical results overpredict the experimental mass flow rates. (6) Theory correctly shows the linear pressure profiles and the associated entrance losses with the specified rotor positions.
NASA Astrophysics Data System (ADS)
Loiko, V. A.; Krakhalev, M. N.; Konkolovich, A. V.; Prishchepa, O. O.; Miskevich, A. A.; Zyryanov, V. Ya.
2016-07-01
Light scattering by a monolayer of bipolar nematic droplets encapsulated in polymer film is examined both experimentally and theoretically. A method for the simulation of the angular distribution of scattered light is based on the anomalous diffraction and interference approximations taking into account the director configuration within liquid crystal droplets and their bipolar axes orientation. The director configuration in nematic droplets is calculated using the relaxation method of the free energy minimization. The characteristics of the sample, including distribution of droplet sizes and shape anisometry, are measured in details. The experimental results and theoretical data agree closely with each other.
NASA Astrophysics Data System (ADS)
Griesinger, Uwe A.; Pforr, Rainer; Knobloch, Juergen; Friedrich, Christoph M.
1999-12-01
Dual trench alternating phase shifting masks with an optimized value of the so-called shallow trench depth represents an interesting approach to overcome aerial image imbalances. In order to get a better understanding of the possibilities and limits of this approach, especially for 5X reduction, theoretical and experimental investigations were accomplished. In this paper experimental data obtained from 5X dual trench type alternating PSMs, using DUV-lithography are introduced and compared with 3D-mask simulations. The masks were fabricated with different etch depths and contain parts of typical DRAM patterns. Besides the transmission balancing also the phase balancing has an important influence on the effective process window of an alternating PSM. The effective phase error can be measured with an AIMS-system (MSM100). The comparison with simulated data allows the determination of the phase error. In a second step the influence of different balancing methods on phase and transmission were investigated with the TEMPEST mask simulator for unpolarized light. The optimization of the balancing with respect to the CD-bias, undercut and etch depth will be shown and a first approach of a sensitivity analysis will be presented.
2011-01-01
Ethylene glycol (EG)-based zinc oxide (ZnO) nanofluids containing no surfactant have been manufactured by one-step pulsed wire evaporation (PWE) method. Round-robin tests on thermal conductivity measurements of three samples of EG-based ZnO nanofluids have been conducted by five participating labs, four using accurate measurement apparatuses developed in house and one using a commercial device. The results have been compared with several theoretical bounds on the effective thermal conductivity of heterogeneous systems. This study convincingly demonstrates that the large enhancements in the thermal conductivities of EG-based ZnO nanofluids tested are beyond the lower and upper bounds calculated using the models of the Maxwell and Nan et al. with and without the interfacial thermal resistance. PMID:21711792
NASA Astrophysics Data System (ADS)
Lee, Wook-Hyun; Rhee, Chang-Kyu; Koo, Junemo; Lee, Jaekeun; Jang, Seok Pil; Choi, Stephen Us; Lee, Ki-Woong; Bae, Hwa-Young; Lee, Gyoung-Ja; Kim, Chang-Kyu; Hong, Sung Wook; Kwon, Younghwan; Kim, Doohyun; Kim, Soo Hyung; Hwang, Kyo Sik; Kim, Hyun Jin; Ha, Hyo Jun; Lee, Seung-Hyun; Choi, Chul Jin; Lee, Ji-Hwan
2011-12-01
Ethylene glycol (EG)-based zinc oxide (ZnO) nanofluids containing no surfactant have been manufactured by one-step pulsed wire evaporation (PWE) method. Round-robin tests on thermal conductivity measurements of three samples of EG-based ZnO nanofluids have been conducted by five participating labs, four using accurate measurement apparatuses developed in house and one using a commercial device. The results have been compared with several theoretical bounds on the effective thermal conductivity of heterogeneous systems. This study convincingly demonstrates that the large enhancements in the thermal conductivities of EG-based ZnO nanofluids tested are beyond the lower and upper bounds calculated using the models of the Maxwell and Nan et al. with and without the interfacial thermal resistance.
ERIC Educational Resources Information Center
Radecki, Tadeusz
1985-01-01
Reports research results into a methodology for determining similarity between queries characterized by Boolean search request formulations and discusses similarity measures for Boolean combinations of index terms. Rationale behind these measures is outlined, and conditions ensuring their equivalence are identified. Results of an experiment…
A Comparison of Experimental and Theoretical Results for Labyrinth Gas Seals. Ph.D. Thesis
NASA Technical Reports Server (NTRS)
Scharrer, Joseph Kirk
1987-01-01
The basic equations are derived for a two control volume model for compressible flow in a labyrinth seal. The flow is assumed to be completely turbulent and isoenergetic. The wall friction factors are determined using the Blasius formula. Jet flow theory is used for the calculation of the recirculation velocity in the cavity. Linearized zeroth and first order perturbation equations are developed for small motion about a centered position by an expansion in the eccentricity ratio. The zeroth order pressure distribution is found by satisfying the leakage equation. The circumferential velocity distribution is determined by satisfying the momentum equations. The first order equations are solved by a separation of variable solution. Integration of the resultant pressure distribution along and around the seal defines the reaction force developed by the seal and the corresponding dynamic coefficients. The results of this analysis are compared to experimental test results.
NASA Astrophysics Data System (ADS)
Altarelli, Guido
2012-03-01
The LHC results released so far have very much restricted the possible range for the Standard Model Higgs boson mass. Moreover some indications for a signal at a mass around 125 GeV have been found. At the same time, no clear evidence for new physics has emerged from the LHC data. We discuss the impact of these results on our understanding of particle physics. The presently allowed window for the Higgs mass and the negative results for exotic particles are compatible with both the Standard model and its Supersymmetric extensions but imply considerable restrictions and need a substantial amount of fine tuning in all cases. We discuss the options that remain open and the perspectives for the near future.
NASA Technical Reports Server (NTRS)
Iben, I., Jr.
1971-01-01
Survey of recently published studies on globular clusters, and comparison of stellar evolution and pulsation theory with reported observations. The theory of stellar evolution is shown to be capable of describing, in principle, the behavior of a star through all quasi-static stages. Yet, as might be expected, estimates of bulk properties obtained by comparing observations with results of pulsation and stellar atmosphere theory differ somewhat from estimates of these same properties obtained by comparing observations with results of evolution theory. A description is given of how such estimates are obtained, and suggestions are offered as to where the weak points in each theory may lie.
What Is Self-Specific? Theoretical Investigation and Critical Review of Neuroimaging Results
ERIC Educational Resources Information Center
Legrand, Dorothee; Ruby, Perrine
2009-01-01
The authors propose a paradigm shift in the investigation of the self. Synthesizing neuroimaging results from studies investigating the self, the authors first demonstrate that self-relatedness evaluation involves a wide cerebral network, labeled E-network, comprising the medial prefrontal cortex, precuneus, temporoparietal junction, and temporal…
Stafiński, Maciej; Wieczorek, Marcin; Janicki, Piotr; Kościelniak, Paweł
2012-07-15
In the report of the International Union of Pure and Applied Chemistry (IUPAC) estimation of analyte recovery (RV) is recommended as one of the ways for assessment of trueness of analytical results. RV is usually estimated with the use of samples spiked with known amount of analyte. However, neither the IUPAC guidelines, nor the available literature take into consideration various effects of different nature that may occur along the sample preparation steps prior and during measurements. Hence, in this work the attempt was made to classify these effects and to evaluate their influence on the analyte recovery. For this purpose a mathematical model has been developed, enabling to judge usefulness of the recovery test in objective estimation of trueness, and the results predicted by the model were checked experimentally. Trueness was estimated on the basis of analytical results obtained by both interpolative and extrapolative ways. The experiments were performed with the use of a dedicated flow injection system coupled to UV/VIS spectrometer and covered determination of chromium(III) as chromium(III) nitrate at a wavelength of 590nm. PMID:22817925
NASA Astrophysics Data System (ADS)
Di Martino, Roberto M. R.; Camarda, Marco; Gurrieri, Sergio; Valenza, Mariano
2016-03-01
This paper focuses on the chemical composition changes in soil gases through both a theoretical model and laboratory experiments. The model describes the one-dimensional mass transfer process, which is triggered by changes in the flux parameters of the system, and the time-dependent evolution of the composition of the soil gases as a function of (i) the pristine gas mixture, (ii) the diffusivity of the chemicals, and (iii) the thickness of the transited medium. Carbon dioxide (CO2), hydrogen (H2), and helium (He) were used in a laboratory-scale flux simulator to investigate the evolution of the gas composition profile in an artificial soil of constant thickness. The agreement between the theoretical calculations and the experimental results supports the validity of the model. Our results indicate a good reproducibility of the transient changes in the concentrations of CO2, He, and H2 in CO2-rich gas mixtures that contain He and H2 as trace gases. Finally, the theoretical results were used to analyze the H2 and CO2 continuous monitoring data collected at Etna volcano in 2010.
Theoretical results on the double-collecting tandem junction solar cell. [radiation damage
NASA Technical Reports Server (NTRS)
Goradia, C.; Vaughn, J.; Baraona, C. R.
1980-01-01
Results of computer calculations using a one dimensional model of the silicon tandem junction solar cell with both front and back current collection are presented. Using realistically achievable geometrical and material parameters, the model predicts that with base widths of 50 micrometers and 100 micrometers and base resistivities between 1 ohm/cm and 20 ohm/cm, beginning of life efficiencies of 14% to 17% and end of life efficiencies of 12% to 14%, after about seven years in synchronous orbit, can be obtained.
Experimental and Theoretical Results in Output-Trajectory Redesign for Flexible Structures
NASA Technical Reports Server (NTRS)
Dewey, J. S.; Devasia, Santosh
1996-01-01
In this paper we study the optimal redesign of output trajectory for linear invertible systems. This is particularly important for tracking control of flexible structures because the input-state trajectories that achieve the required output may cause excessive vibrations in the structure. A trade-off is then required between tracking and vibrations reduction. We pose and solve this problem as the minimization of a quadratic cost function. The theory is developed and applied to the output tracking of a flexible structure and experimental results are presented.
The prediction of the noise of supersonic propellers in time domain - New theoretical results
NASA Technical Reports Server (NTRS)
Farassat, F.
1983-01-01
In this paper, a new formula for the prediction of the noise of supersonic propellers is derived in the time domain which is superior to the previous formulations in several respects. The governing equation is based on the Ffowcs Williams-Hawkings (FW-H) equation with the thickness source term replaced by an equivalent loading source term derived by Isom (1975). Using some results of generalized function theory and simple four-dimensional space-time geometry, the formal solution of the governing equation is manipulated to a form requiring only the knowledge of blade surface pressure data and geometry. The final form of the main result of this paper consists of some surface and line integrals. The surface integrals depend on the surface pressure, time rate of change of surface pressure, and surface pressure gradient. These integrals also involve blade surface curvatures. The line integrals which depend on local surface pressure are along the trailing edge, the shock traces on the blade, and the perimeter of the airfoil section at the inner radius of the blade. The new formulation is for the full blade surface and does not involve any numerical observer time differentiation. The method of implementation on a computer for numerical work is also discussed.
NASA Astrophysics Data System (ADS)
Liu, Wenjia; Schmittmann, Beate; Zia, R. K. P.
2012-02-01
Network studies have played a central role for understanding many systems in nature - e.g., physical, biological, and social. So far, much of the focus has been the statistics of networks in isolation. Yet, many networks in the world are coupled to each other. Recently, we considered this issue, in the context of two interacting social networks. In particular, We studied networks with two different preferred degrees, modeling, say, introverts vs. extroverts, with a variety of ``rules for engagement.'' As a first step towards an analytically accessible theory, we restrict our attention to an ``extreme scenario'': The introverts prefer zero contacts while the extroverts like to befriend everyone in the society. In this ``maximally frustrated'' system, the degree distributions, as well as the statistics of cross-links (between the two groups), can depend sensitively on how a node (individual) creates/breaks its connections. The simulation results can be reasonably well understood in terms of an approximate theory.
Wear, Keith A; Laib, Andres
2003-08-01
Trabecular thickness within cancellous bone is an important determinant of osteoporotic fracture risk. Noninvasive assessment of trabecular thickness potentially could yield useful diagnostic information. Faran's theory of elastic scattering from a cylindrical object immersed in a fluid has been used to predict the dependence of ultrasonic backscatter on trabecular thickness. The theory predicts that, in the range of morphological and material properties expected for trabecular bone, the backscatter coefficient at 500 kHz should be approximately proportional to trabecular thickness to the power of 2.9. Experimental measurements of backscatter coefficient were performed on 43 human calcaneus samples in vitro. Mean trabecular thicknesses on the 43 samples were assessed using micro computed tomography (CT). A power law fit to the data showed that the backscatter coefficient empirically varied as trabecular thickness to the 2.8 power. The 95% confidence interval for this exponent was 1.7 to 3.9. The square of the correlation coefficient for the linear regression to the log transformed data was 0.40. This suggests that 40% of variations in backscatter may be attributed to variations in trabecular thickness. These results reinforce previous studies that offered validation for the Faran cylinder model for prediction of scattering properties of cancellous bone, and provide added evidence for the potential diagnostic utility of the backscatter measurement. PMID:12952089
Inhibiting diffusion of complex contagions in social networks: theoretical and experimental results
Anil Kumar, V.S.; Marathe, Madhav V.; Ravi, S.S.; Rosenkrantz, Daniel J.
2014-01-01
We consider the problem of inhibiting undesirable contagions (e.g. rumors, spread of mob behavior) in social networks. Much of the work in this context has been carried out under the 1-threshold model, where diffusion occurs when a node has just one neighbor with the contagion. We study the problem of inhibiting more complex contagions in social networks where nodes may have thresholds larger than 1. The goal is to minimize the propagation of the contagion by removing a small number of nodes (called critical nodes) from the network. We study several versions of this problem and prove that, in general, they cannot even be efficiently approximated to within any factor ρ ≥ 1, unless P = NP. We develop efficient and practical heuristics for these problems and carry out an experimental study of their performance on three well known social networks, namely epinions, wikipedia and slashdot. Our results show that these heuristics perform significantly better than five other known methods. We also establish an efficiently computable upper bound on the number of nodes to which a contagion can spread and evaluate this bound on many real and synthetic networks. PMID:25750583
Restricted diffusion in a model acinar labyrinth by NMR: Theoretical and numerical results
NASA Astrophysics Data System (ADS)
Grebenkov, D. S.; Guillot, G.; Sapoval, B.
2007-01-01
A branched geometrical structure of the mammal lungs is known to be crucial for rapid access of oxygen to blood. But an important pulmonary disease like emphysema results in partial destruction of the alveolar tissue and enlargement of the distal airspaces, which may reduce the total oxygen transfer. This effect has been intensively studied during the last decade by MRI of hyperpolarized gases like helium-3. The relation between geometry and signal attenuation remained obscure due to a lack of realistic geometrical model of the acinar morphology. In this paper, we use Monte Carlo simulations of restricted diffusion in a realistic model acinus to compute the signal attenuation in a diffusion-weighted NMR experiment. We demonstrate that this technique should be sensitive to destruction of the branched structure: partial removal of the interalveolar tissue creates loops in the tree-like acinar architecture that enhance diffusive motion and the consequent signal attenuation. The role of the local geometry and related practical applications are discussed.
Convexity of Energy-Like Functions: Theoretical Results and Applications to Power System Operations
Dvijotham, Krishnamurthy; Chertkov, Michael; Low, Steven
2015-01-22
Power systems are undergoing unprecedented transformations with increased adoption of renewables and distributed generation, as well as the adoption of demand response programs. All of these changes, while making the grid more responsive and potentially more efficient, pose significant challenges for power systems operators. Conventional operational paradigms are no longer sufficient as the power system may no longer have big dispatchable generators with sufficient positive and negative reserves. This increases the need for tools and algorithms that can efficiently predict safe regions of operation of the power system. In this paper, we study energy functions as a tool to design algorithms for various operational problems in power systems. These have a long history in power systems and have been primarily applied to transient stability problems. In this paper, we take a new look at power systems, focusing on an aspect that has previously received little attention: Convexity. We characterize the domain of voltage magnitudes and phases within which the energy function is convex in these variables. We show that this corresponds naturally with standard operational constraints imposed in power systems. We show that power of equations can be solved using this approach, as long as the solution lies within the convexity domain. We outline various desirable properties of solutions in the convexity domain and present simple numerical illustrations supporting our results.
NASA Astrophysics Data System (ADS)
Menapace, E.; Birattari, C.; Bonardi, M. L.; Groppi, F.; Morzenti, S.; Zona, C.
2005-05-01
The radionuclide production for biomedical applications has been brought up in the years, as a special nuclear application, at INFN LASA Laboratory, particularly in co-operation with the JRC-Ispra of EC. Mainly scientific aspects concerning radiation detection and the relevant instruments, the measurements of excitation functions of the involved nuclear reactions, the requested radiochemistry studies and further applications have been investigated. On the side of the nuclear data evaluations, based on nuclear model calculations and critically selected experimental data, the appropriate competence has been developed at ENEA Division for Advanced Physics Technologies. A series of high specific activity accelerator-produced radionuclides in no-carrier-added (NCA) form, for uses in metabolic radiotherapy and for PET radiodiagnostics, are investigated. In this work, last revised measurements and model calculations are reviewed for excitation functions of natZn(d,X)64Cu, 66Ga reactions, referring to irradiation experiments at K=38 variable energy Cyclotron of JRC-Ispra. Concerning the reaction data for producing 186gRe and 211At/211gPo (including significant emission spectra) and 210At, most recent and critically selected experimental results are considered and discussed in comparison with model calculations paying special care to pre-equilibrium effects estimate and to the appropriate overall parameterization. Model calculations are presented for 226Ra(p,2n)225Ac reaction, according to the working program of the ongoing IAEA CRP on the matter.
NASA Astrophysics Data System (ADS)
El Bakkali, M.; Lhémery, A.; Baronian, V.; Chapuis, B.
2015-01-01
Elastic guided waves (GW) are used to inspect pipeworks in various industries. Modelling tools for simulating GW inspection are necessary to understand complex scattering phenomena occurring at specific features (welds, elbows, junctions...). In pipeworks, straight pipes coexist with elbows. GW propagation in the former cases is well-known, but is less documented in the latter. Their scattering at junction of straight and curved pipes constitutes a complex phenomenon. When a curved part is joined to two straight parts, these phenomena couple and give rise to even more complex wave structures. In a previous work, the SemiAnalytic Finite Element method extended to curvilinear coordinates was used to handle GW propagation in elbows, combined with a mode matching method to predict their scattering at the junction with a straight pipe. Here, a pipework comprising an arbitrary number of elbows of finite length and of different curvature linking straight pipes is considered. A modal scattering matrix is built by cascading local scattering and propagation matrices. The overall formulation only requires meshing the pipe section to compute both the modal solutions and the integrals resulting from the mode-matching method for computing local scattering matrices. Numerical predictions using this approach are studied and compared to experiments.
Menapace, E.; Birattari, C.; Bonardi, M.L.; Groppi, F.; Morzenti, S.; Zona, C.
2005-05-24
The radionuclide production for biomedical applications has been brought up in the years, as a special nuclear application, at INFN LASA Laboratory, particularly in co-operation with the JRC-Ispra of EC. Mainly scientific aspects concerning radiation detection and the relevant instruments, the measurements of excitation functions of the involved nuclear reactions, the requested radiochemistry studies and further applications have been investigated. On the side of the nuclear data evaluations, based on nuclear model calculations and critically selected experimental data, the appropriate competence has been developed at ENEA Division for Advanced Physics Technologies. A series of high specific activity accelerator-produced radionuclides in no-carrier-added (NCA) form, for uses in metabolic radiotherapy and for PET radiodiagnostics, are investigated. In this work, last revised measurements and model calculations are reviewed for excitation functions of natZn(d,X)64Cu, 66Ga reactions, referring to irradiation experiments at K=38 variable energy Cyclotron of JRC-Ispra. Concerning the reaction data for producing 186gRe and 211At/211gPo (including significant emission spectra) and 210At, most recent and critically selected experimental results are considered and discussed in comparison with model calculations paying special care to pre-equilibrium effects estimate and to the appropriate overall parameterization. Model calculations are presented for 226Ra(p,2n)225Ac reaction, according to the working program of the ongoing IAEA CRP on the matter.
Sextro, R.G.; Lee, D.D.
1988-10-01
Radon adsorption by charcoal is a widely used technique for measuring indoor radon concentration, particularly when short-term results are desired. There are several different devices available, ranging from permeable envelopes filled with charcoal and open-face charcoal-filled canisters to devices incorporating diffusion limiting features to reduce losses of radon due to desorption. However, the integration characteristics of these samplers are not well understood, particularly under conditions of highly varying radon concentrations. A model for predicting the response of various types of charcoal based detectors to time-variant radon concentrations has been developed; the model predictions compare well with results from chamber experiments. Both the experimental and theoretical results have also been compared with integrated continuous-sampling measurements. The implications of these comparisons for use of charcoal for screening measurements is discussed. 5 refs., 4 figs., 2 tabs.
2016-01-01
Background Inhaled ultrafine particles (UFP) may induce greater adverse respiratory effects than larger particles occurring in the ambient atmosphere. Due to this potential of UFP to act as triggers for diverse lung injuries medical as well as physical research has been increasingly focused on the exact deposition behavior of the particles in lungs of various probands. Main purpose of the present study was the presentation of experimental and theoretical data of total, regional, and local UFP deposition in the lungs of men and women. Methods Both experiments and theoretical simulations were carried out by using particle sizes of 0.04, 0.06, 0.08, and 0.10 µm [number median diameters (NMD)]. Inhalation of UFP took place by application of predefined tidal volumes (500, 750, and 1,000 mL) and respiratory flow rates (150, 250, 375, and 500 mL·s−1). For male subjects a functional residual capacity (FRC) of 3,911±892 mL was measured, whereas female probands had a FRC of 3,314±547 mL. Theoretical predictions were based on (I) a stochastic model of the tracheobronchial tree; (II) particle transport computations according to a random walk algorithm; and (III) empirical formulae for the description of UFP deposition. Results Total deposition fractions (TDF) are marked by a continuous diminution with increasing particle size. Whilst particles measuring 0.04 µm in size deposit in the respiratory tract by 40–70%, particles with a size of 0.10 µm exhibit deposition values ranging from 20% to 45%. Except for the largest particles studied here TDF of female probands are higher than those obtained for male probands. Differences between experimental and theoretical results are most significant for 0.10 µm particles, but never exceed 20%. Predictions of regional (extrathoracic, tracheobronchial, alveolar) UFP deposition show clearly that females tend to develop higher tracheobronchial and alveolar deposition fractions than males. This discrepancy is also confirmed by
Hou, Chen; Amunugama, Kaushalya
2015-07-01
The relationship between energy expenditure and longevity has been a central theme in aging studies. Empirical studies have yielded controversial results, which cannot be reconciled by existing theories. In this paper, we present a simple theoretical model based on first principles of energy conservation and allometric scaling laws. The model takes into considerations the energy tradeoffs between life history traits and the efficiency of the energy utilization, and offers quantitative and qualitative explanations for a set of seemingly contradictory empirical results. We show that oxidative metabolism can affect cellular damage and longevity in different ways in animals with different life histories and under different experimental conditions. Qualitative data and the linearity between energy expenditure, cellular damage, and lifespan assumed in previous studies are not sufficient to understand the complexity of the relationships. Our model provides a theoretical framework for quantitative analyses and predictions. The model is supported by a variety of empirical studies, including studies on the cellular damage profile during ontogeny; the intra- and inter-specific correlations between body mass, metabolic rate, and lifespan; and the effects on lifespan of (1) diet restriction and genetic modification of growth hormone, (2) the cold and exercise stresses, and (3) manipulations of antioxidant. PMID:26086438
Golibrzuch, Kai; Shirhatti, Pranav R.; Kandratsenka, Alexander; Wodtke, Alec M.; Bartels, Christof; Max Planck Institute for Biophysical Chemistry, Göttingen 37077 ; Rahinov, Igor; Auerbach, Daniel J.; Max Planck Institute for Biophysical Chemistry, Göttingen 37077; Department of Chemistry and Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106
2014-01-28
We present a combined experimental and theoretical study of NO(v = 3 → 3, 2, 1) scattering from a Au(111) surface at incidence translational energies ranging from 0.1 to 1.2 eV. Experimentally, molecular beam–surface scattering is combined with vibrational overtone pumping and quantum-state selective detection of the recoiling molecules. Theoretically, we employ a recently developed first-principles approach, which employs an Independent Electron Surface Hopping (IESH) algorithm to model the nonadiabatic dynamics on a Newns-Anderson Hamiltonian derived from density functional theory. This approach has been successful when compared to previously reported NO/Au scattering data. The experiments presented here show that vibrational relaxation probabilities increase with incidence energy of translation. The theoretical simulations incorrectly predict high relaxation probabilities at low incidence translational energy. We show that this behavior originates from trajectories exhibiting multiple bounces at the surface, associated with deeper penetration and favored (N-down) molecular orientation, resulting in a higher average number of electronic hops and thus stronger vibrational relaxation. The experimentally observed narrow angular distributions suggest that mainly single-bounce collisions are important. Restricting the simulations by selecting only single-bounce trajectories improves agreement with experiment. The multiple bounce artifacts discovered in this work are also present in simulations employing electronic friction and even for electronically adiabatic simulations, meaning they are not a direct result of the IESH algorithm. This work demonstrates how even subtle errors in the adiabatic interaction potential, especially those that influence the interaction time of the molecule with the surface, can lead to an incorrect description of electronically nonadiabatic vibrational energy transfer in molecule-surface collisions.
NASA Technical Reports Server (NTRS)
Nicks, C. O.; Childs, D. W.
1984-01-01
The importance of seal behavior in rotordynamics is discussed and current annular seal theory is reviewed. A Nelson's analytical-computational method for determining rotordynamic coefficients for this type of compressible-flow seal is outlined. Various means for the experimental identification of the dynamic coefficients are given, and the method employed at the Texas A and M University (TAMU) test facility is explained. The TAMU test apparatus is described, and the test procedures are discussed. Experimental results, including leakage, entrance-loss coefficients, pressure distributions, and rotordynamic coefficients for a smooth and a honeycomb constant-clearance seal are presented and compared to theoretical results from Nelson's analysis. The results for both seals show little sensitivity to the running speed over the test range. Agreement between test results and theory for leakage through the seal is satisfactory. Test results for direct stiffness show a greater sensitivity to fluid pre-rotation than predicted. Results also indicate that the deliberately roughened surface of the honeycomb seal provides improved stability versus the smooth seal.
NASA Technical Reports Server (NTRS)
Elrod, D. A.; Childs, D. W.
1986-01-01
A brief review of current annular seal theory and a discussion of the predicted effect on stiffness of tapering the seal stator are presented. An outline of Nelson's analytical-computational method for determining rotordynamic coefficients for annular compressible-flow seals is included. Modifications to increase the maximum rotor speed of an existing air-seal test apparatus at Texas A&M University are described. Experimental results, including leakage, entrance-loss coefficients, pressure distributions, and normalized rotordynamic coefficients, are presented for four convergent-tapered, smooth-rotor, smooth-stator seals. A comparison of the test results shows that an inlet-to-exit clearance ratio of 1.5 to 2.0 provides the maximum direct stiffness, a clearance ratio of 2.5 provides the greatest stability, and a clearance ratio of 1.0 provides the least stability. The experimental results are compared to theoretical results from Nelson's analysis with good agreement. Test results for cross-coupled stiffness show less sensitivity of fluid prerotation than predicted.
NASA Astrophysics Data System (ADS)
Cohen, F.; Kasahara, K.
As described in an accompanying paper (kasahara), full M.C simulation of air showers in the GZK region is possible by a distributed-parallel processing method. However, this still needs a long computation time even with ~50 to ~100 cpu's which may be available in many pc cluster environments. Air showers always fluctuate event to event largely, and only 1 or few events are not appropriate for practical application. However, we may note that the fluctuations appear only in the longitudinal development; if we look into the ingredients (energy spectrum, angular distribution, arrival time distribution etc and their correlations) at the same "age" of the shower, they are almost the same (or at least can be scaled; e.g, for the lateral distribution, we may use appropriate Moliere length ). In some cases (for muons and hadrons), we may use another parameter instead of the "age". Based on this fact, we developed a new fast and accurate M.C simulation scheme which utilizes a database in which full M.C results are stored (FDD). We generate a number of air showers by using the usual thin sampling method. The thin sampling is sometimes very dangerous when we discuss detailed ingredient (say,lateral distribution, energy spectrum, their correlations etc) but is safely employed to see the total number of particles in the longitudinal development (LDD; we can generate ~1000 LDD showers by 50 cpu's in a day). Then, for a given 1 particular such an event at a certain depth, we can extract every details from FDD by a correspondence rule such as the one using "age" etc. We describe the method, its current status and show some results for the TA experiment.
Madsen, Berit L. . E-mail: ronblm@vmmc.org; Hsi, R. Alex; Pham, Huong T.; Fowler, Jack F.; Esagui, Laura C.; Corman, John
2007-03-15
Purpose: To evaluate the feasibility and toxicity of stereotactic hypofractionated accurate radiotherapy (SHARP) for localized prostate cancer. Methods and Materials: A Phase I/II trial of SHARP performed for localized prostate cancer using 33.5 Gy in 5 fractions, calculated to be biologically equivalent to 78 Gy in 2 Gy fractions ({alpha}/{beta} ratio of 1.5 Gy). Noncoplanar conformal fields and daily stereotactic localization of implanted fiducials were used for treatment. Genitourinary (GU) and gastrointestinal (GI) toxicity were evaluated by American Urologic Association (AUA) score and Common Toxicity Criteria (CTC). Prostate-specific antigen (PSA) values and self-reported sexual function were recorded at specified follow-up intervals. Results: The study includes 40 patients. The median follow-up is 41 months (range, 21-60 months). Acute toxicity Grade 1-2 was 48.5% (GU) and 39% (GI); 1 acute Grade 3 GU toxicity. Late Grade 1-2 toxicity was 45% (GU) and 37% (GI). No late Grade 3 or higher toxicity was reported. Twenty-six patients reported potency before therapy; 6 (23%) have developed impotence. Median time to PSA nadir was 18 months with the majority of nadirs less than 1.0 ng/mL. The actuarial 48-month biochemical freedom from relapse is 70% for the American Society for Therapeutic Radiology and Oncology definition and 90% by the alternative nadir + 2 ng/mL failure definition. Conclusions: SHARP for localized prostate cancer is feasible with minimal acute or late toxicity. Dose escalation should be possible.
Delavari, Alireza; Salimzadeh, Hamideh; Bishehsari, Faraz; Sobh Rakhshankhah, Elham; Delavari, Farnaz; Moossavi, Shirin; Khosravi, Pejman; Nasseri-Moghaddam, Siavosh; Merat, Shahin; Ansari, Reza; Vahedi, Homayoon; Shahbazkhani, Bijan; Saberifiroozi, Mehdi; Sotoudeh, Masoud; Malekzadeh, Reza
2015-01-01
BACKGROUND The incidence of colorectal cancer is rising in several developing countries. In the absence of integrated endoscopy and pathology databases, adenoma detection rate (ADR), as a validated quality indicator of screening colonoscopy, is generally difficult to obtain in practice. We aimed to measure the correlation of polyp-related indicators with ADR in order to identify the most accurate surrogate(s) of ADR in routine practice. METHODS We retrospectively reviewed the endoscopic and histopathological findings of patients who underwent colonoscopy at a tertiary gastrointestinal clinic. The overall ADR and advanced-ADR were calculated using patient-level data. The Pearson’s correlation coefficient (r) was applied to measure the strength of the correlation between the quality metrics obtained by endoscopists. RESULTS A total of 713 asymptomatic adults aged 50 and older who underwent their first-time screening colonoscopy were included in this study. The ADR and advanced-ADR were 33.00% (95% CI: 29.52-36.54) and 13.18% (95% CI: 10.79-15.90), respectively. We observed good correlations between polyp detection rate (PDR) and ADR (r=0.93), and mean number of polyp per patient (MPP) and ADR (r=0.88) throughout the colon. There was a positive, yet insignificant correlation between advanced ADRs and non-advanced ADRs (r=0.42, p=0.35). CONCLUSION MPP is strongly correlated with ADR, and can be considered as a reliable and readily obtainable proxy for ADR in opportunistic screening colonoscopy programs. PMID:26609349
NASA Astrophysics Data System (ADS)
Bačić, Z.; Kress, J. D.; Parker, G. A.; Pack, R. T.
1990-02-01
Accurate 3D coupled channel calculations for total angular momentum J=0 for the reaction F+H2→HF+H using a realistic potential energy surface are analyzed. The reactive scattering is formulated using the hyperspherical (APH) coordinates of Pack and Parker. The adiabatic basis functions are generated quite efficiently using the discrete variable representation method. Reaction probabilities for relative collision energies of up to 17.4 kcal/mol are presented. To aid in the interpretation of the resonances and quantum structure observed in the calculated reaction probabilities, we analyze the phases of the S matrix transition elements, Argand diagrams, time delays and eigenlifetimes of the collision lifetime matrix. Collinear (1D) and reduced dimensional 3D bending corrected rotating linear model (BCRLM) calculations are presented and compared with the accurate 3D calculations.
Hara, T.; Couprie, M.E. ||
1995-12-31
The Super-ACO FEL source in UV is now used for applications like a time-resolved fluorescence in biology and two colors experiments coupling FEL and Synchrotron Radiation, which are naturally synchronized. The stability of the FEL is then a critical issue for the users. Detailed experimental studies conducted on the temporal characteristics of the laser micropulse showed various phenomena, such as a longitudinal micropulse jitter and a deformation of a longitudinal micropulse distribution. A similar analysis has been performed on the laser spectral evolution with a scanning Fabry-Perot interferometer, showing a spectrum narrowing, and a wavelength drift. A longitudinal feedback system developed after the first user experiment, allowed to reduce significantly the longitudinal jitter, the intensity fluctuation and the spectral drift. Nevertheless, the stability of the FEL is very dependent on any perturbation, and the observed phenomena can not be described by former models like super-mode assuming a stationary regime. A new theoretical model has then been developed, in order to simulate dynamic behaviors. A simple iterative method is employed to obtain the laser spectrum. The access to the temporal distribution requires additional complexity, because the Fourier transformation has to be performed for each pass. The comparison between the experimental data and the simulation results will be given.
Dvir, Hila; Zlochiver, Sharon
2015-01-01
A single isolated sinoatrial pacemaker cell presents intrinsic interbeat interval (IBI) variability that is believed to result from the stochastic characteristics of the opening and closing processes of membrane ion channels. To our knowledge, a novel mathematical framework was developed in this work to address the effect of current fluctuations on the IBIs of sinoatrial pacemaker cells. Using statistical modeling and employing the Fokker-Planck formalism, our mathematical analysis suggests that increased stochastic current fluctuation variance linearly increases the slope of phase-4 depolarization, hence the rate of activations. Single-cell and two-dimensional computerized numerical modeling of the sinoatrial node was conducted to validate the theoretical predictions using established ionic kinetics of the rabbit pacemaker and atrial cells. Our models also provide, to our knowledge, a novel complementary or alternative explanation to recent experimental observations showing a strong reduction in the mean IBI of Cx30 deficient mice in comparison to wild-types, not fully explicable by the effects of intercellular decoupling. PMID:25762340
Dvir, Hila; Zlochiver, Sharon
2015-03-10
A single isolated sinoatrial pacemaker cell presents intrinsic interbeat interval (IBI) variability that is believed to result from the stochastic characteristics of the opening and closing processes of membrane ion channels. To our knowledge, a novel mathematical framework was developed in this work to address the effect of current fluctuations on the IBIs of sinoatrial pacemaker cells. Using statistical modeling and employing the Fokker-Planck formalism, our mathematical analysis suggests that increased stochastic current fluctuation variance linearly increases the slope of phase-4 depolarization, hence the rate of activations. Single-cell and two-dimensional computerized numerical modeling of the sinoatrial node was conducted to validate the theoretical predictions using established ionic kinetics of the rabbit pacemaker and atrial cells. Our models also provide, to our knowledge, a novel complementary or alternative explanation to recent experimental observations showing a strong reduction in the mean IBI of Cx30 deficient mice in comparison to wild-types, not fully explicable by the effects of intercellular decoupling. PMID:25762340
NASA Astrophysics Data System (ADS)
Ragaini, V.
1982-01-01
The suitability of the reversible reaction between N2O4 and 2NO2 for short term solar energy storage applications were examined theoretically and experimentally. N2O4 dissociates completely at 140 C, while NO2 seldom dissociates below 150 C. The heat storage capacity of the reaction 2NO2 yields N2O4 was calculated for the temperature intervals between 0-500 C, showing that a maximum of 195.7 kcal/l is available with liquified 2NO2, compared to 100 kcal/l with water. Nitrogen dioxide was tested in the gas phase in a solar collector. The results indicate a heat storage capacity from 3 to 1.7 times that of water, and its use for a domestic hot water energy source is described. Toxicity problems with 2nO2 and the formation of nitric acid are suggested to be solvable by use of nitrogen dioxide in anhydrous form and in stainless steel apparatus.
NASA Technical Reports Server (NTRS)
Sadler, S. G.
1972-01-01
A mathematical model and computer program were implemented to study the main rotor free wake geometry effects on helicopter rotor blade air loads and response in steady maneuvers. The theoretical formulation and analysis of results are presented.
NASA Astrophysics Data System (ADS)
Wöhling, Thomas; Barkle, Greg; Stenger, Roland; Moorhead, Brian; Wall, Aaron; Clague, Juliet
2014-05-01
Automated equilibrium tension plate lysimeters (AETLs) are arguably the most accurate method to measure unsaturated water and contaminant fluxes below the root zone at the scale of up to 1 m². The AETL technique utilizes a porous sintered stainless-steel plate to provide a comparatively large sampling area with a continuously controlled vacuum that is in "equilibrium" with the surrounding vadose zone matric pressure to ensure measured fluxes represent those under undisturbed conditions. This novel lysimeter technique was used at an intensive research site for investigations of contaminant pathways from the land surface to the groundwater on a sheep and beef farm under pastoral land use in the Tutaeuaua subcatchment, New Zealand. The Spydia research facility was constructed in 2005 and was fully operational between 2006 and 2011. Extending from a central access caisson, 15 separately controlled AETLs with 0.2 m² surface area were installed at five depths between 0.4 m and 5.1 m into the undisturbed volcanic vadose zone materials. The unique setup of the facility ensured minimum interference of the experimental equipment and external factors with the measurements. Over the period of more than five years, a comprehensive data set was collected at each of the 15 AETL locations which comprises of time series of soil water flux, pressure head, volumetric water contents, and soil temperature. The soil water was regularly analysed for EC, pH, dissolved carbon, various nitrogen compounds (including nitrate, ammonia, and organic N), phosphorus, bromide, chloride, sulphate, silica, and a range of other major ions, as well as for various metals. Climate data was measured directly at the site (rainfall) and a climate station at 500m distance. The shallow groundwater was sampled at three different depths directly from the Spydia caisson and at various observation wells surrounding the facility. Two tracer experiments were conducted at the site in 2009 and 2010. In the 2009
ERIC Educational Resources Information Center
Niemi, Hannele
This monograph reports on an empirical survey of 394 secondary school students investigating their desire to seek the meaning of their own lives. The theoretical framework upon which the study was based is that of Viktor E. Frankl's hypotheses that a human being wants to seek the meaning in his own life. The questionnaire consisted of tests…
NASA Astrophysics Data System (ADS)
Hoang, Trinh Xuan; Ky, Nguyen Anh; Lan, Nguyen Tri; Viet, Nguyen Ai
2015-06-01
This volume contains selected papers presented at the 2nd International Workshop on Theoretical and Computational Physics (IWTCP-2): Modern Methods and Latest Results in Particle Physics, Nuclear Physics and Astrophysics and the 39th National Conference on Theoretical Physics (NCTP-39). Both the workshop and the conference were held from 28th - 31st July 2014 in Dakruco Hotel, Buon Ma Thuot, Dak Lak, Vietnam. The NCTP-39 and the IWTCP-2 were organized under the support of the Vietnamese Theoretical Physics Society, with a motivation to foster scientific exchanges between the theoretical and computational physicists in Vietnam and worldwide, as well as to promote high-standard level of research and education activities for young physicists in the country. The IWTCP-2 was also an External Activity of the Asia Pacific Center for Theoretical Physics (APCTP). About 100 participants coming from nine countries participated in the workshop and the conference. At the IWTCP-2 workshop, we had 16 invited talks presented by international experts, together with eight oral and ten poster contributions. At the NCTP-39, three invited talks, 15 oral contributions and 39 posters were presented. We would like to thank all invited speakers, participants and sponsors for making the workshop and the conference successful. Trinh Xuan Hoang, Nguyen Anh Ky, Nguyen Tri Lan and Nguyen Ai Viet
Accurate Finite Difference Algorithms
NASA Technical Reports Server (NTRS)
Goodrich, John W.
1996-01-01
Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.
Asencor, F J; Santamaría, C; Iglesias, F J; Domínguez, A
1993-01-01
Using the experimental data obtained with killed cells of Schizosaccharomyces pombe (1), we have formulated a theoretical model that is able to predict cell orientation for microorganisms with ellipsoidal or cylindrical shapes as a function of the frequency of the electric field and of the conductivity of the external medium. In this model, comparison of the difference in potential energy for both orientations parallel-perpendicular with the thermal agitation energy allows one to interpret the intervals where these orientations occur. The model implies that the conductivity of the cytoplasm is slightly higher than that of the external medium. This assumption is easy to understand taking into account that not all the intracytoplasmic material is released to the exterior during cell death. PMID:8324197
Mintz, S.L. ); Pourkaviani, M. )
1989-12-01
Theoretical calculations are presented for the reaction {nu}{sub {ital e}}+{sup 12}C{r arrow}{sup 12}N{sub g.s.} +{ital e}{sup {minus}} for {ital E}{sub {nu}} from threshold to 135 MeV, for the reaction {nu}{sub {mu}}+{sup 12}C{r arrow}{sup 12}N{sub g.s.} +{mu}{sup {minus}}, and the corresponding antineutrino reaction for {ital E}{sub {nu}} from threshold to 160 MeV. Use is made of updated form factors based on more recent data for {ital e}{sup {minus}}+{sup 12}C{r arrow}{sup 12}C{sup *}+{ital e}{prime} {minus} and {gamma}+{sup 12}C{r arrow}{sup 12}C{sup *}. The recent neutrino reaction experiments are discussed in light of these calculations.
NASA Astrophysics Data System (ADS)
Charbonneau, David; Harps-N Collaboration
2015-01-01
Although the NASA Kepler Mission has determined the physical sizes of hundreds of small planets, and we have in many cases characterized the star in detail, we know virtually nothing about the planetary masses: There are only 7 planets smaller than 2.5 Earth radii for which there exist published mass estimates with a precision better than 20 percent, the bare minimum value required to begin to distinguish between different models of composition.HARPS-N is an ultra-stable fiber-fed high-resolution spectrograph optimized for the measurement of very precise radial velocities. We have 80 nights of guaranteed time per year, of which half are dedicated to the study of small Kepler planets.In preparation for the 2014 season, we compared all available Kepler Objects of Interest to identify the ones for which our 40 nights could be used most profitably. We analyzed the Kepler light curves to constrain the stellar rotation periods, the lifetimes of active regions on the stellar surface, and the noise that would result in our radial velocities. We assumed various mass-radius relations to estimate the observing time required to achieve a mass measurement with a precision of 15%, giving preference to stars that had been well characterized through asteroseismology. We began by monitoring our long list of targets. Based on preliminary results we then selected our final short list, gathering typically 70 observations per target during summer 2014.These resulting mass measurements will have a signifcant impact on our understanding of these so-called super-Earths and small Neptunes. They would form a core dataset with which the international astronomical community can meaningfully seek to understand these objects and their formation in a quantitative fashion.HARPS-N was funded by the Swiss Space Office, the Harvard Origin of Life Initiative, the Scottish Universities Physics Alliance, the University of Geneva, the Smithsonian Astrophysical Observatory, the Italian National
Daigle, Hugh; Rice, Mary Anna; Daigle, Hugh
2015-12-14
Relative permeabilities to water and gas are important parameters for accurate modeling of the formation of methane hydrate deposits and production of methane from hydrate reservoirs. Experimental measurements of gas and water permeability in the presence of hydrate are difficult to obtain. The few datasets that do exist suggest that relative permeability obeys a power law relationship with water or gas saturation with exponents ranging from around 2 to greater than 10. Critical path analysis and percolation theory provide a framework for interpreting the saturation-dependence of relative permeability based on percolation thresholds and the breadth of pore size distributions, which may be determined easily from 3-D images or gas adsorption-desorption hysteresis. We show that the exponent of the permeability-saturation relationship for relative permeability to water is related to the breadth of the pore size distribution, with broader pore size distributions corresponding to larger exponents. Relative permeability to water in well-sorted sediments with narrow pore size distributions, such as Berea sandstone or Toyoura sand, follows percolation scaling with an exponent of 2. On the other hand, pore-size distributions determined from argon adsorption measurements we performed on clays from the Nankai Trough suggest that relative permeability to water in fine-grained intervals may be characterized by exponents as large as 10 as determined from critical path analysis. We also show that relative permeability to the gas phase follows percolation scaling with a quadratic dependence on gas saturation, but the threshold gas saturation for percolation changes with hydrate saturation, which is an important consideration in systems in which both hydrate and gas are present, such as during production from a hydrate reservoir. Our work shows how measurements of pore size distributions from 3-D imaging or gas adsorption may be used to determine relative permeabilities.
Accurate Evaluation of Quantum Integrals
NASA Technical Reports Server (NTRS)
Galant, David C.; Goorvitch, D.
1994-01-01
Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schr\\"{o}dinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.
Accurate quantum chemical calculations
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
NNLOPS accurate associated HW production
NASA Astrophysics Data System (ADS)
Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia
2016-06-01
We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.
Accurate phase-shift velocimetry in rock.
Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R; Holmes, William M
2016-06-01
Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models. PMID:27111139
Accurate phase-shift velocimetry in rock
NASA Astrophysics Data System (ADS)
Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R.; Holmes, William M.
2016-06-01
Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models.
NASA Astrophysics Data System (ADS)
Cataldo, Franco
The biological effects of fullerenes and, in particular, of C60 have been recognized since long time. One of the problems which hindered the application of fullerenes in medicinal chemistry regards their insolubility in water and water-based fluids. In the present chapter it is reported that C60 and C70 fullerenes are soluble in vegetable oils, in general, in esters of fatty acids and in free fatty acids. These results pave the way in the utilization of vegetable oils as vehicles in the delivery of fullerenes for both topical applications and internal use (e.g., intramuscular injection).
Marc Vanderhaeghen
2007-04-01
The theoretical issues in the interpretation of the precision measurements of the nucleon-to-Delta transition by means of electromagnetic probes are highlighted. The results of these measurements are confronted with the state-of-the-art calculations based on chiral effective-field theories (EFT), lattice QCD, large-Nc relations, perturbative QCD, and QCD-inspired models. The link of the nucleon-to-Delta form factors to generalized parton distributions (GPDs) is also discussed.
NASA Astrophysics Data System (ADS)
JIA, X.; JIN, D.; JI, L.; ZHANG, J.
2002-05-01
Clearance is inevitable in the kinematic joints of mechanisms. In this paper, the dynamic behavior of a crank-slider mechanism with clearance in its tripod-ball sliding joint is investigated theoretically and experimentally. The mathematical model of this new-type of joint is established, and the new concepts of basal system and active system are put forward. Based on the mode-change criterion established in this paper, the consistent equations of motion in full-scale are derived by using Kane method. The experimental rig was set up to measure the effects of the clearance on the dynamic response. The dynamic responses including additional motion, input torque and acceleration have been obtained, and the effects of the clearance size and driving speed have also been investigated by both analytical and experimental means. Corresponding experimental studies verify the theoretical results satisfactorily.
NASA Astrophysics Data System (ADS)
Jolly, A.; Cottini, V.; Fayt, A.; Manceron, L.; Kwabia-Tchana, F.; Benilan, Y.; Guillemin, J.-C.; Nixon, C.; Irwin, P.
2015-03-01
Dicyanoacetylene has not been observed so far in the gas phase in Titan's atmosphere but this molecule is still on the list of the detected species, on the basis of the correspondence between a solid phase feature measured at 478 cm-1 in the laboratory and a spectral feature observed by Voyager. In this work, the infrared spectrum of gaseous C4N2 has been investigated to improve our knowledge of the band intensities and the line parameters for this molecule. Results of previously investigated bands have been revised and the intensity of the ν9 band at 107 cm-1, measured for the first time, was found to be the strongest absorption in the whole infrared domain. We have also improved the analysis of the complex rotational and hot band structure of C4N2 in order to obtain the first line lists for both bending modes ν8 and ν9. Using our radiative transfer code including the new line list of the strong ν9 band, we have searched for the signature of C4N2 at 107 cm-1 in the atmosphere of Titan utilizing Titan CIRS far infrared spectra. Despite averaging a large number of CIRS spectra at northern latitudes during the very favorable Titan winter, no gaseous C4N2 could be detected. At the 1-σ level we obtain an abundance upper limit of 5.3 × 10-10 for the limb average which is lower than or comparable to previously inferred values. As a consequence, the absence or very low amount of gaseous C4N2 makes quite puzzling its presence in the solid phase with an abundance compatible with the observed spectral feature at 478 cm-1.
Carniato, S. Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Žitnik, M.; Bučar, K.; Nakano, M.; Hikosaka, Y.; Ito, K.
2015-01-07
We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K{sup −2}V ) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K{sup −2}V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics.
Accurate theoretical and experimental characterization of optical grating coupler.
Fesharaki, Faezeh; Hossain, Nadir; Vigne, Sebastien; Chaker, Mohamed; Wu, Ke
2016-09-01
Periodic structures, acting as reflectors, filters, and couplers, are a fundamental building block section in many optical devices. In this paper, a three-dimensional simulation of a grating coupler, a well-known periodic structure, is conducted. Guided waves and leakage characteristics of an out-of-plane grating coupler are studied in detail, and its coupling efficiency is examined. Furthermore, a numerical calibration analysis is applied through a commercial software package on the basis of a full-wave finite-element method to calculate the complex propagation constant of the structure and to evaluate the radiation pattern. For experimental evaluation, an optimized grating coupler is fabricated using electron-beam lithography technique and plasma etching. An excellent agreement between simulations and measurements is observed, thereby validating the demonstrated method. PMID:27607706
NASA Astrophysics Data System (ADS)
Martin, Graham J.; Christian, William R.; Mansell, John E.; Ma, Jian; Winker, Bruce K.
2009-05-01
We present theoretical and experimental results for the expected impact on high-throughput optical communication systems of pulse broadening effects from scattered light propagating through water-based clouds. Existing analytical models are compared with experimental results. A preferred Monte Carlo model is developed and validated from field measurements of off-axis scattering through clouds, using a low-power continuous wave laser source at 1550 nm wavelength. This model is used in the time domain to examine the effects of pulse broadening for Gigabit and higher systems with practical apertures and fields of view. Results indicate that, for most current scenarios, pulse stretching may not cause significant inter-symbol interference.
NASA Astrophysics Data System (ADS)
Stöltzner, Michael
Answering to the double-faced influence of string theory on mathematical practice and rigour, the mathematical physicists Arthur Jaffe and Frank Quinn have contemplated the idea that there exists a `theoretical' mathematics (alongside `theoretical' physics) whose basic structures and results still require independent corroboration by mathematical proof. In this paper, I shall take the Jaffe-Quinn debate mainly as a problem of mathematical ontology and analyse it against the backdrop of two philosophical views that are appreciative towards informal mathematical development and conjectural results: Lakatos's methodology of proofs and refutations and John von Neumann's opportunistic reading of Hilbert's axiomatic method. The comparison of both approaches shows that mitigating Lakatos's falsificationism makes his insights about mathematical quasi-ontology more relevant to 20th century mathematics in which new structures are introduced by axiomatisation and not necessarily motivated by informal ancestors. The final section discusses the consequences of string theorists' claim to finality for the theory's mathematical make-up. I argue that ontological reductionism as advocated by particle physicists and the quest for mathematically deeper axioms do not necessarily lead to identical results.
ERIC Educational Resources Information Center
Rom, Mark Carl
2011-01-01
Grades matter. College grading systems, however, are often ad hoc and prone to mistakes. This essay focuses on one factor that contributes to high-quality grading systems: grading accuracy (or "efficiency"). I proceed in several steps. First, I discuss the elements of "efficient" (i.e., accurate) grading. Next, I present analytical results…
NASA Astrophysics Data System (ADS)
Di Martino, Roberto M. R.; Camarda, Marco; Gurrieri, Sergio; Valenza, Mariano
2015-04-01
The thorough understanding of the gas transport in porous media is of considerable interest in several environmental issues, such as the transport of contaminants, nutrient substances or moisture, and to applications in subsurface repository of nuclear wastes. In volcanology, the gas transport process affects the compositions of both the soils and the fumaroles gases, that are the proxy of the magmatic activity. Herein we study the transients of the chemical composition of the soil and fumaroles gases through the formulation of a theoretical model, and the gas flux experiments carried out in the laboratory. The theoretical model accounts for the gas releases in volcanic areas, and investigates the effects of the gas flux processes, the transport parameters in the soils, and the depth of the gas reservoir on the composition of the gas emissions. The model takes into account the process of the mass transfer triggered by the changes of the flux parameters in the system, and describes the time-dependent evolution of the composition of the soil gases as the result of the pristine gas mixture, the diffusivity of the chemicals, and the thickness of the medium. The approximate solution of the flux problem provides the retention time of the ith component of the gas mixture in the porous medium as function of the thickness of the soil, the advective flux rate, and the diffusivity of the chemicals. Carbon dioxide (CO2), hydrogen (H2), and helium (He) were used in a laboratory-scaled flux simulator with the purpose of investigating the evolution of the composition profile in a porous medium of constant thickness. The comparison of the theoretical computations with the experimental results provides the evaluation of the compositional range of validity of the model. Furthermore, the results of this study indicate that the measurement of both the delays between the transients in the concentration of different components, and the gas flux provides an evaluation of the depth of the
Theoretical approaches to metal chemistry
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W.; Langhoff, Stephen R.; Partridge, Harry; Halicioglu, Timur; Taylor, Peter R.
1987-01-01
Theoretical calculations on metals ranging from very accurate ab initio studies of diatomic and triatomic systems to model studies of larger clusters are presented. Recent improvements in the representation of one-particle and n-particle spaces have made possible the prediction that Al2 has a 3Pi(u) ground state, even though the 3Sigma(-)g state lies within 200/cm. Results suggest that cluster geometry varies dramatically with cluster size, and that rather large clusters are required before the bulk structure becomes optimal. Al cluster studies show that three-body terms are needed for quantitative agreement with ab initio calculations.
NASA Astrophysics Data System (ADS)
Mikeš, Daniel
2010-05-01
Theoretical geology Present day geology is mostly empirical of nature. I claim that geology is by nature complex and that the empirical approach is bound to fail. Let's consider the input to be the set of ambient conditions and the output to be the sedimentary rock record. I claim that the output can only be deduced from the input if the relation from input to output be known. The fundamental question is therefore the following: Can one predict the output from the input or can one predict the behaviour of a sedimentary system? If one can, than the empirical/deductive method has changes, if one can't than that method is bound to fail. The fundamental problem to solve is therefore the following: How to predict the behaviour of a sedimentary system? It is interesting to observe that this question is never asked and many a study is conducted by the empirical/deductive method; it seems that the empirical method has been accepted as being appropriate without question. It is, however, easy to argument that a sedimentary system is by nature complex and that several input parameters vary at the same time and that they can create similar output in the rock record. It follows trivially from these first principles that in such a case the deductive solution cannot be unique. At the same time several geological methods depart precisely from the assumption, that one particular variable is the dictator/driver and that the others are constant, even though the data do not support such an assumption. The method of "sequence stratigraphy" is a typical example of such a dogma. It can be easily argued that all the interpretation resulting from a method that is built on uncertain or wrong assumptions is erroneous. Still, this method has survived for many years, nonwithstanding all the critics it has received. This is just one example of the present day geological world and is not unique. Even the alternative methods criticising sequence stratigraphy actually depart from the same
NASA Technical Reports Server (NTRS)
Tulinius, J. R.
1974-01-01
The theoretical development and the comparison of results with data of a thick wing and pylon-fuselage-fanpod-nacelle analysis are presented. The analysis utilizes potential flow theory to compute the surface velocities and pressures, section lift and center of pressure, and the total configuration lift, moment, and vortex drag. The skin friction drag is also estimated in the analysis. The perturbation velocities induced by the wing and pylon, fuselage and fanpod, and nacelle are represented by source and vortex lattices, quadrilateral vortices, and source frustums, respectively. The strengths of these singularities are solved for simultaneously including all interference effects. The wing and pylon planforms, twists, cambers, and thickness distributions, and the fuselage and fanpod geometries can be arbitrary in shape, provided the surface gradients are smooth. The flow through nacelle is assumed to be axisymmetric. An axisymmetric center engine hub can also be included. The pylon and nacelle can be attached to the wing, fuselage, or fanpod.
Accurate monotone cubic interpolation
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1991-01-01
Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.
NASA Astrophysics Data System (ADS)
Fawzy, Diaa E.
2015-08-01
Computations of chromospheric models and the resulting spectral line emission fluxes are presented for late-type stars exhibiting very low level of chromospheric activity, referred to as a basal flux stars or low activity stars. The computations are self-consistent, and consider the entire acoustic wave energy spectra generated in the stellar convection zones. We consider multilevel atomic models, take into account departures from local thermodynamic equilibrium and also consider the time-dependent ionization processes of hydrogen. We employ the new finding of the mixing-length parameter α = 1.8. The Ca II H+K and Mg II h+k line fluxes are computed assuming pseudo-partial redistribution. The results show the importance of time-dependent ionization in modelling the middle and high chromospheres. Models without considering time-dependent ionization overestimate the emitted Ca II fluxes by factors between 1.1 and 5.6 for F8V and M0V stars, respectively, while factors between 1.8 for G0V and 17.4 for M0V stars have been obtained for the Mg II fluxes. The theoretically computed basal fluxes in Ca II and Mg II, respectively, follow simple linear formulae depending on the effective temperature log Teff. The obtained results for Ca II fluxes show reasonable agreement with observations.
Calibration Techniques for Accurate Measurements by Underwater Camera Systems.
Shortis, Mark
2015-01-01
Calibration of a camera system is essential to ensure that image measurements result in accurate estimates of locations and dimensions within the object space. In the underwater environment, the calibration must implicitly or explicitly model and compensate for the refractive effects of waterproof housings and the water medium. This paper reviews the different approaches to the calibration of underwater camera systems in theoretical and practical terms. The accuracy, reliability, validation and stability of underwater camera system calibration are also discussed. Samples of results from published reports are provided to demonstrate the range of possible accuracies for the measurements produced by underwater camera systems. PMID:26690172
Accurate method of modeling cluster scaling relations in modified gravity
NASA Astrophysics Data System (ADS)
He, Jian-hua; Li, Baojiu
2016-06-01
We propose a new method to model cluster scaling relations in modified gravity. Using a suite of nonradiative hydrodynamical simulations, we show that the scaling relations of accumulated gas quantities, such as the Sunyaev-Zel'dovich effect (Compton-y parameter) and the x-ray Compton-y parameter, can be accurately predicted using the known results in the Λ CDM model with a precision of ˜3 % . This method provides a reliable way to analyze the gas physics in modified gravity using the less demanding and much more efficient pure cold dark matter simulations. Our results therefore have important theoretical and practical implications in constraining gravity using cluster surveys.
Calibration Techniques for Accurate Measurements by Underwater Camera Systems
Shortis, Mark
2015-01-01
Calibration of a camera system is essential to ensure that image measurements result in accurate estimates of locations and dimensions within the object space. In the underwater environment, the calibration must implicitly or explicitly model and compensate for the refractive effects of waterproof housings and the water medium. This paper reviews the different approaches to the calibration of underwater camera systems in theoretical and practical terms. The accuracy, reliability, validation and stability of underwater camera system calibration are also discussed. Samples of results from published reports are provided to demonstrate the range of possible accuracies for the measurements produced by underwater camera systems. PMID:26690172
The, B.; Diercks, R.L.; Stewart, R.E.; Ooijen, P.M.A. van; Horn, J.R. van
2005-08-15
The introduction of digital radiological facilities leads to the necessity of digital preoperative planning, which is an essential part of joint replacement surgery. To avoid errors in the preparation and execution of hip surgery, reliable correction of the magnification of the projected hip is a prerequisite. So far, no validated method exists to accomplish this. We present validated geometrical models of the x-ray projection of spheres, relevant for the calibration procedure to correct for the radiographic magnification. With help of these models a new calibration protocol was developed. The validity and precision of this procedure was determined in clinical practice. Magnification factors could be predicted with a maximal margin of error of 1.5%. The new calibration protocol is valid and reliable. The clinical tests revealed that correction of magnification has a 95% margin of error of -3% to +3%. Future research might clarify if a strict calibration protocol, as presented in this study, results in more accurate preoperative planning of hip joint replacements.
NASA Astrophysics Data System (ADS)
Itano, Wayne M.; Ramsey, Norman F.
1993-07-01
The paper discusses current methods for accurate measurements of time by conventional atomic clocks, with particular attention given to the principles of operation of atomic-beam frequency standards, atomic hydrogen masers, and atomic fountain and to the potential use of strings of trapped mercury ions as a time device more stable than conventional atomic clocks. The areas of application of the ultraprecise and ultrastable time-measuring devices that tax the capacity of modern atomic clocks include radio astronomy and tests of relativity. The paper also discusses practical applications of ultraprecise clocks, such as navigation of space vehicles and pinpointing the exact position of ships and other objects on earth using the GPS.
NASA Technical Reports Server (NTRS)
Stuhlmann, R.; Smith, G. L.
1988-01-01
The effect of radiative heating and cooling by clouds on the available potential energy (APE) is theoretically discussed. It is shown that the cloud radiative contribution to the generation of APE is determined by the net cloud radiative heating and the efficiency factor, which is a function of the temperature distribution of the atmosphere. Results are presented for low and middle cloud effects for three atmospheric layers. Cloud radiative heating is found to be a single function of cloud optical thickness for all classes designed in terms of cloud top heights and optical thickness. Low clouds at low latitudes destroy APE an midclouds generate APE. A concept is developed to relate the cloud radiative heating to cloud heights and optical depths. Cloud-generated radiative heating is computed for January zonal mean conditions for low and midclouds. For both cases, the strongest influence is found in the low troposphere, with marked differences in signs and magnitudes. At extratropical latitudes, both cloud classes generate net radiative cooling. In the tropics, the effect of low cloud changes from net cooling to the net heating as the optical thickness increases, and midclouds cause net heating. A mechanism is described whereby this dependence produces a strong positive feedback effect on the development of SST anomalies in the tropical oceans.
NASA Astrophysics Data System (ADS)
Hermanne, A.; Adam Rebeles, R.; Tárkányi, F.; Takács, S.
2015-02-01
Activation of thin natOs targets, electrodeposited on Ni backings, was investigated for the first time in stacked foil irradiations with 65 MeV and 34 MeV proton beams. Assessments of the produced radionuclides by high resolution gamma-ray spectroscopy yielded excitation functions for formation of 184, 185, 186m,m+g, 187m+g, 188m+g, 189m2+m1+g, 190m2,m1+g, 192m1+gIr and 185cum, 191m+gOs, 183m+gRe. Where available comparisons with the reaction cross sections obtained in 2 earlier studies on enriched 192Os were made. Reduced uncertainty on cross sections is obtained by simultaneous remeasurement of the 27Al(p,x)22,24Na, natNi(p,x)57Ni and natTi(p,x)48V monitor reactions over wide relevant energy ranges. Confirmation of monitoring took place by assessment of excitation functions of 61Cu, 56Ni, 55,56,57,58Co and 52Mn induced in the Ni backings and comparison with a recent compilation for most of these radionuclides. Contributing reactions and overall cross sections are discussed and were evaluated in comparison with the results of the theoretical code TALYS 1.6 (values from the on-line library TENDL-2013).
Detection and accurate localization of harmonic chipless tags
NASA Astrophysics Data System (ADS)
Dardari, Davide
2015-12-01
We investigate the detection and localization properties of harmonic tags working at microwave frequencies. A two-tone interrogation signal and a dedicated signal processing scheme at the receiver are proposed to eliminate phase ambiguities caused by the short signal wavelength and to provide accurate distance/position estimation even in the presence of clutter and multipath. The theoretical limits on tag detection and localization accuracy are investigated starting from a concise characterization of harmonic backscattered signals. Numerical results show that accuracies in the order of centimeters are feasible within an operational range of a few meters in the RFID UHF band.
ERIC Educational Resources Information Center
Zemsky, Robert; Shaman, Susan; Shapiro, Daniel B.
2001-01-01
Describes the Collegiate Results Instrument (CRI), which measures a range of collegiate outcomes for alumni 6 years after graduation. The CRI was designed to target alumni from institutions across market segments and assess their values, abilities, work skills, occupations, and pursuit of lifelong learning. (EV)
NASA Astrophysics Data System (ADS)
Borkowski, Andrzej; Kosek, Wiesław
2015-12-01
The paper presents a summary of research activities concerning theoretical geodesy performed in Poland in the period of 2011-2014. It contains the results of research on new methods of the parameter estimation, a study on robustness properties of the M-estimation, control network and deformation analysis, and geodetic time series analysis. The main achievements in the geodetic parameter estimation involve a new model of the M-estimation with probabilistic models of geodetic observations, a new Shift-Msplit estimation, which allows to estimate a vector of parameter differences and the Shift-Msplit(+) that is a generalisation of Shift-Msplit estimation if the design matrix A of a functional model has not a full column rank. The new algorithms of the coordinates conversion between the Cartesian and geodetic coordinates, both on the rotational and triaxial ellipsoid can be mentioned as a highlights of the research of the last four years. New parameter estimation models developed have been adopted and successfully applied to the control network and deformation analysis. New algorithms based on the wavelet, Fourier and Hilbert transforms were applied to find time-frequency characteristics of geodetic and geophysical time series as well as time-frequency relations between them. Statistical properties of these time series are also presented using different statistical tests as well as 2nd, 3rd and 4th moments about the mean. The new forecasts methods are presented which enable prediction of the considered time series in different frequency bands.
Accurate adiabatic correction in the hydrogen molecule
Pachucki, Krzysztof; Komasa, Jacek
2014-12-14
A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10{sup −12} at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H{sub 2}, HD, HT, D{sub 2}, DT, and T{sub 2} has been determined. For the ground state of H{sub 2} the estimated precision is 3 × 10{sup −7} cm{sup −1}, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.
Accurate adiabatic correction in the hydrogen molecule
NASA Astrophysics Data System (ADS)
Pachucki, Krzysztof; Komasa, Jacek
2014-12-01
A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10-12 at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10-7 cm-1, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.
NASA Technical Reports Server (NTRS)
Petersen, R. B.
1957-01-01
Comparisons are made of experimental and theoretical zero-lift wave drag for several nose shapes, wing-body combinations, and models of current airplanes at Mach numbers up to 1.0. The experimental data were obtained from tests in the Ames 6- by6-foot supersonic wind tunnel and at the NACA Wallops Island facility. The theoretical drag was found by use of linear theory utilizing model area distributions. The agreement between theoretical and experimental zero-lift wave-drag coefficients was generally very good, especially for a fuselage or for fuselage-wing combinations that were vertically symmetrical. For other models that had rapid changes in body shape and/or were not vertically symmetrical, the agreement of theory with experiment ranged from fair to poor, depending on the severity of the change in shape.
NASA Astrophysics Data System (ADS)
Bureau, Christophe; Deniau, Guy; Valin, Françoise; Guittet, Marie-Joseph; Lécayon, Gérard; Delhalle, Joseph
1996-06-01
The aim of the present paper is to contribute to the elucidation of the molecular structures obtained on a platinum surface as this surface is submitted to an anodic potential (with respect to a silver reference electrode) when dipped into pure 2-methyl 2-propenenitrile (methacrylonitrile). Modified surfaces are examined using X- and UV-photoelectron spectroscopies (UPS and XPS). The results evidence the formation of an ultra-thin (20-40 Å) grafted oligomer film, which is not classical polymethacrylonitrile (PMAN), as obtained through a radical or anionic mechanism: spectral characteristics argue in the sense of a cationic polymerization of methacrylonitrile through its nitrile groups, as evidenced by a lowering of the gap as well as by the UPS and XPS (N 1s region) spectra. Molecular models of the reactants and reaction intermediates are proposed for the cationic polymerization of methacrylonitrile, and show that this polymerization is about as feasible as that of acetonitrile, at least on kinetic control grounds. Two different mechanisms are nonetheless possible, leading either to a quasi conjugated poly-imine type -(N C) n-, or to a poly-cumulene type -(N C C) n- network. Theoretical consierations on reactants properties lead us to select the poly-imine way as the most plausible. Along with literature data concerning chemisorbed nitriles on platinum surfaces, a molecular model of the final state of the poly-imine reaction is then designed, comprising a three atom cluster to render the grafting site, and a dimer to render the grafted structure. A full geometry optimization is performed on the organic moiety at the Hartree-Fock (ab initio) level of theory, and a rough evaluation of the spectral footprint of the interface bond in the N 1s region is performed on the basis of Koopmans theorem with calibration on the bulk polymer peak. A preliminary 2.7 eV downward shift is predicted for N 1s interface nitrogens with respect to the polymer peak, which can
Accurate paleointensities - the multi-method approach
NASA Astrophysics Data System (ADS)
de Groot, Lennart
2016-04-01
The accuracy of models describing rapid changes in the geomagnetic field over the past millennia critically depends on the availability of reliable paleointensity estimates. Over the past decade methods to derive paleointensities from lavas (the only recorder of the geomagnetic field that is available all over the globe and through geologic times) have seen significant improvements and various alternative techniques were proposed. The 'classical' Thellier-style approach was optimized and selection criteria were defined in the 'Standard Paleointensity Definitions' (Paterson et al, 2014). The Multispecimen approach was validated and the importance of additional tests and criteria to assess Multispecimen results must be emphasized. Recently, a non-heating, relative paleointensity technique was proposed -the pseudo-Thellier protocol- which shows great potential in both accuracy and efficiency, but currently lacks a solid theoretical underpinning. Here I present work using all three of the aforementioned paleointensity methods on suites of young lavas taken from the volcanic islands of Hawaii, La Palma, Gran Canaria, Tenerife, and Terceira. Many of the sampled cooling units are <100 years old, the actual field strength at the time of cooling is therefore reasonably well known. Rather intuitively, flows that produce coherent results from two or more different paleointensity methods yield the most accurate estimates of the paleofield. Furthermore, the results for some flows pass the selection criteria for one method, but fail in other techniques. Scrutinizing and combing all acceptable results yielded reliable paleointensity estimates for 60-70% of all sampled cooling units - an exceptionally high success rate. This 'multi-method paleointensity approach' therefore has high potential to provide the much-needed paleointensities to improve geomagnetic field models for the Holocene.
Saito, Masashi; Ikenaga, Yuki; Matsukawa, Mami; Watanabe, Yoshiaki; Asada, Takaaki; Lagrée, Pierre-Yves
2011-12-01
Pulse wave evaluation is an effective method for arteriosclerosis screening. In a previous study, we verified that pulse waveforms change markedly due to arterial stiffness. However, a pulse wave consists of two components, the incident wave and multireflected waves. Clarification of the complicated propagation of these waves is necessary to gain an understanding of the nature of pulse waves in vivo. In this study, we built a one-dimensional theoretical model of a pressure wave propagating in a flexible tube. To evaluate the applicability of the model, we compared theoretical estimations with measured data obtained from basic tube models and a simple arterial model. We constructed different viscoelastic tube set-ups: two straight tubes; one tube connected to two tubes of different elasticity; a single bifurcation tube; and a simple arterial network with four bifurcations. Soft polyurethane tubes were used and the configuration was based on a realistic human arterial network. The tensile modulus of the material was similar to the elasticity of arteries. A pulsatile flow with ejection time 0.3 s was applied using a controlled pump. Inner pressure waves and flow velocity were then measured using a pressure sensor and an ultrasonic diagnostic system. We formulated a 1D model derived from the Navier-Stokes equations and a continuity equation to characterize pressure propagation in flexible tubes. The theoretical model includes nonlinearity and attenuation terms due to the tube wall, and flow viscosity derived from a steady Hagen-Poiseuille profile. Under the same configuration as for experiments, the governing equations were computed using the MacCormack scheme. The theoretical pressure waves for each case showed a good fit to the experimental waves. The square sum of residuals (difference between theoretical and experimental wave-forms) for each case was <10.0%. A possible explanation for the increase in the square sum of residuals is the approximation error for flow
Accurate thermoelastic tensor and acoustic velocities of NaCl
NASA Astrophysics Data System (ADS)
Marcondes, Michel L.; Shukla, Gaurav; da Silveira, Pedro; Wentzcovitch, Renata M.
2015-12-01
Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.
Accurate thermoelastic tensor and acoustic velocities of NaCl
Marcondes, Michel L.; Shukla, Gaurav; Silveira, Pedro da; Wentzcovitch, Renata M.
2015-12-15
Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.
Accurate LC Peak Boundary Detection for 16O/18O Labeled LC-MS Data
Cui, Jian; Petritis, Konstantinos; Tegeler, Tony; Petritis, Brianne; Ma, Xuepo; Jin, Yufang; Gao, Shou-Jiang (SJ); Zhang, Jianqiu (Michelle)
2013-01-01
In liquid chromatography-mass spectrometry (LC-MS), parts of LC peaks are often corrupted by their co-eluting peptides, which results in increased quantification variance. In this paper, we propose to apply accurate LC peak boundary detection to remove the corrupted part of LC peaks. Accurate LC peak boundary detection is achieved by checking the consistency of intensity patterns within peptide elution time ranges. In addition, we remove peptides with erroneous mass assignment through model fitness check, which compares observed intensity patterns to theoretically constructed ones. The proposed algorithm can significantly improve the accuracy and precision of peptide ratio measurements. PMID:24115998
Accurate Cross Sections for Microanalysis
Rez, Peter
2002-01-01
To calculate the intensity of x-ray emission in electron beam microanalysis requires a knowledge of the energy distribution of the electrons in the solid, the energy variation of the ionization cross section of the relevant subshell, the fraction of ionizations events producing x rays of interest and the absorption coefficient of the x rays on the path to the detector. The theoretical predictions and experimental data available for ionization cross sections are limited mainly to K shells of a few elements. Results of systematic plane wave Born approximation calculations with exchange for K, L, and M shell ionization cross sections over the range of electron energies used in microanalysis are presented. Comparisons are made with experimental measurement for selected K shells and it is shown that the plane wave theory is not appropriate for overvoltages less than 2.5 V. PMID:27446747
Accurate thickness measurement of graphene
NASA Astrophysics Data System (ADS)
Shearer, Cameron J.; Slattery, Ashley D.; Stapleton, Andrew J.; Shapter, Joseph G.; Gibson, Christopher T.
2016-03-01
Graphene has emerged as a material with a vast variety of applications. The electronic, optical and mechanical properties of graphene are strongly influenced by the number of layers present in a sample. As a result, the dimensional characterization of graphene films is crucial, especially with the continued development of new synthesis methods and applications. A number of techniques exist to determine the thickness of graphene films including optical contrast, Raman scattering and scanning probe microscopy techniques. Atomic force microscopy (AFM), in particular, is used extensively since it provides three-dimensional images that enable the measurement of the lateral dimensions of graphene films as well as the thickness, and by extension the number of layers present. However, in the literature AFM has proven to be inaccurate with a wide range of measured values for single layer graphene thickness reported (between 0.4 and 1.7 nm). This discrepancy has been attributed to tip-surface interactions, image feedback settings and surface chemistry. In this work, we use standard and carbon nanotube modified AFM probes and a relatively new AFM imaging mode known as PeakForce tapping mode to establish a protocol that will allow users to accurately determine the thickness of graphene films. In particular, the error in measuring the first layer is reduced from 0.1-1.3 nm to 0.1-0.3 nm. Furthermore, in the process we establish that the graphene-substrate adsorbate layer and imaging force, in particular the pressure the tip exerts on the surface, are crucial components in the accurate measurement of graphene using AFM. These findings can be applied to other 2D materials.
Theoretical tools for semiconductors devices
Hagan, P.; Cox, R.; Randall, E.; Reyna, L.
1996-10-01
This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Future generations of Very Large Scale Integrated (VLSI) circuits require semiconducting devices that are much faster and smaller than current devices. Three-dimensional and transient effects are critical to the performance of these devices. Yet using Monte Carlo (MC) codes to perform time-dependent, three-dimensional simulations will not be feasible in the foreseeable future. Here we re-analyze the physics of semiconductors; use singular perturbation techniques to derive the reduced-dimensionality equations that accurately describe the semiconductor in the regimes corresponding to ultra-small ultra-fast devices; and validate the resulting theoretical models against MC simulations and experimental data. The objective of this project was to gain the capability of accurately simulating ultra-small ultra-fast devices in three spatial dimensions with the ultimate goal of transforming the design of advanced devices.
NASA Astrophysics Data System (ADS)
Bakulev, A. P.; Mikhailov, S. V.; Pimikov, A. V.; Stefanis, N. G.
2011-10-01
A global fit to the data from different collaborations (CELLO, CLEO, BaBar) on the pion-photon transition form factor is carried out using light-cone sum rules. The analysis includes the next-to-leading QCD radiative corrections and the twist-four contributions, while the main next-to-next-to-leading term and the twist-six contribution are taken into account in the form of theoretical uncertainties. We use the information extracted from the data to investigate the pivotal characteristics of the pion distribution amplitude. This is done by dividing the data into two sets: one containing all data up to 9 GeV 2, whereas the other incorporates also the high- Q tail of the BaBar data. We find that it is not possible to accommodate into the fit these BaBar data points with the same accuracy and conclude that it is difficult to explain these data in the standard scheme of OCD.
Parihar, Sanjay; Gupta, Sanjeev K; Jadeja, R N; Jha, Prafulla K
2014-07-15
The optimized structures and electronic properties of the oxovanadium(IV) complexes containing 4-acyl pyrazolone ligands were calculated using density functional theory. The total energies of both the complexes were calculated e.g. syn and anti conformation of complex 1 and complex 2 with and without solvent. The calculated total energy for syn conformation was -10.162 keV, while total energy for anti conformation was -10.155 keV. Similarly, the calculated total energy for complex 2 with solvent was obtained -10.793 keV, while total energy for complex 2 without solvent was -10.158 keV. The total energy calculation shows that syn conformation is more stable in complex 1, while complex 2 is more stable in twisted geometry with solvent. In order to investigate the electronic properties of ligands and complexes, quantum chemical parameters, such as the highest occupied molecular orbital energy (HOMO), the lowest unoccupied molecular orbital energy (LUMO), and energy gap were calculated. The theoretically calculated data of the complexes are in good agreement with the data obtained by the single-crystal X-ray diffraction analysis. PMID:24682060
NASA Astrophysics Data System (ADS)
Parihar, Sanjay; Gupta, Sanjeev K.; Jadeja, R. N.; Jha, Prafulla K.
2014-07-01
The optimized structures and electronic properties of the oxovanadium(IV) complexes containing 4-acyl pyrazolone ligands were calculated using density functional theory. The total energies of both the complexes were calculated e.g. syn and anti conformation of complex 1 and complex 2 with and without solvent. The calculated total energy for syn conformation was -10.162 keV, while total energy for anti conformation was -10.155 keV. Similarly, the calculated total energy for complex 2 with solvent was obtained -10.793 keV, while total energy for complex 2 without solvent was -10.158 keV. The total energy calculation shows that syn conformation is more stable in complex 1, while complex 2 is more stable in twisted geometry with solvent. In order to investigate the electronic properties of ligands and complexes, quantum chemical parameters, such as the highest occupied molecular orbital energy (HOMO), the lowest unoccupied molecular orbital energy (LUMO), and energy gap were calculated. The theoretically calculated data of the complexes are in good agreement with the data obtained by the single-crystal X-ray diffraction analysis.
Accurate oscillator strengths for interstellar ultraviolet lines of Cl I
NASA Technical Reports Server (NTRS)
Schectman, R. M.; Federman, S. R.; Beideck, D. J.; Ellis, D. J.
1993-01-01
Analyses on the abundance of interstellar chlorine rely on accurate oscillator strengths for ultraviolet transitions. Beam-foil spectroscopy was used to obtain f-values for the astrophysically important lines of Cl I at 1088, 1097, and 1347 A. In addition, the line at 1363 A was studied. Our f-values for 1088, 1097 A represent the first laboratory measurements for these lines; the values are f(1088)=0.081 +/- 0.007 (1 sigma) and f(1097) = 0.0088 +/- 0.0013 (1 sigma). These results resolve the issue regarding the relative strengths for 1088, 1097 A in favor of those suggested by astronomical measurements. For the other lines, our results of f(1347) = 0.153 +/- 0.011 (1 sigma) and f(1363) = 0.055 +/- 0.004 (1 sigma) are the most precisely measured values available. The f-values are somewhat greater than previous experimental and theoretical determinations.
How Accurately can we Calculate Thermal Systems?
Cullen, D; Blomquist, R N; Dean, C; Heinrichs, D; Kalugin, M A; Lee, M; Lee, Y; MacFarlan, R; Nagaya, Y; Trkov, A
2004-04-20
I would like to determine how accurately a variety of neutron transport code packages (code and cross section libraries) can calculate simple integral parameters, such as K{sub eff}, for systems that are sensitive to thermal neutron scattering. Since we will only consider theoretical systems, we cannot really determine absolute accuracy compared to any real system. Therefore rather than accuracy, it would be more precise to say that I would like to determine the spread in answers that we obtain from a variety of code packages. This spread should serve as an excellent indicator of how accurately we can really model and calculate such systems today. Hopefully, eventually this will lead to improvements in both our codes and the thermal scattering models that they use in the future. In order to accomplish this I propose a number of extremely simple systems that involve thermal neutron scattering that can be easily modeled and calculated by a variety of neutron transport codes. These are theoretical systems designed to emphasize the effects of thermal scattering, since that is what we are interested in studying. I have attempted to keep these systems very simple, and yet at the same time they include most, if not all, of the important thermal scattering effects encountered in a large, water-moderated, uranium fueled thermal system, i.e., our typical thermal reactors.
How to accurately bypass damage
Broyde, Suse; Patel, Dinshaw J.
2016-01-01
Ultraviolet radiation can cause cancer through DNA damage — specifically, by linking adjacent thymine bases. Crystal structures show how the enzyme DNA polymerase η accurately bypasses such lesions, offering protection. PMID:20577203
Badami, Rokhsareh; VaezMousavi, Mohammad; Wulf, Gabriele; Namazizadeh, Mahdi
2012-06-01
One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected byfeedback from more accurate rather than less accurate trials. The second purpose was to determine whether arousal variations (activation) would predict performance. On day 1, participants performed a golf putting task under one of two conditions: one group received feedback on the most accurate trials, whereas another group received feedback on the least accurate trials. On day 2, participants completed an anxiety questionnaire and performed a retention test. Shin conductance level, as a measure of arousal, was determined. The results indicated that feedback about more accurate trials resulted in more effective learning as well as increased self-confidence. Also, activation was a predictor of performance. PMID:22808705
ERIC Educational Resources Information Center
Wallace, Dale
2000-01-01
Given the amount of time, energy, and money devoted to provincial achievement exams in Canada, it is disturbing that Alberta students and teachers feel so pressured and that the exams do not accurately reflect what students know. Research shows that intelligence has an (untested) emotional component. (MLH)
NASA Astrophysics Data System (ADS)
Predoi-Cross, Adriana; Bouanich, J. P.; Benner, D. Chris; May, A. D.; Drummond, J. R.
2000-07-01
We have measured the room temperature, widths, pressure shifts, and line asymmetry coefficients for many transitions of the first overtone band of CO and CO perturbed by N2. The broadening coefficients were obtained with an accuracy of about 1%. The pure CO profiles have been fitted by a Voigt profile while the CO-N2 spectral profiles have been fitted with a Lorentz and an empirical line shape model (HCv) that blends together a hard collision model and a speed-dependent Lorentz profile. In addition to the Voigt, Lorentz, and HCv models, we have added a dispersion profile to account for weak line mixing. The line broadening and shift coefficients are compared to semiclassical calculations employing a variety of intermolecular interactions. The line asymmetry results are compared to line mixing calculations based on the energy corrected sudden (ECS) model. The results indicate that effects other than line mixing also contribute to the measured line asymmetry.
Recent theoretical results for 0νββ-decay including R0νECEC and 0νββM
Kotila, J.; Barea, J.; Iachello, F.
2015-10-28
The most recent (2015) results for 0νββ nuclear matrix elements in the interacting boson model (IBM-2) with light and heavy neutrino exchange, including R0νECEC, are given for all nuclei of interest from {sup 48}Ca to {sup 238}U. Predictions for half-lives and limits for average neutrino mass are also made. Possible additional scenarios, such as Majoron emission, is also discussed.
Recent theoretical results for 0νββ-decay including R0νECEC and 0νββM
NASA Astrophysics Data System (ADS)
Kotila, J.; Barea, J.; Iachello, F.
2015-10-01
The most recent (2015) results for 0νββ nuclear matrix elements in the interacting boson model (IBM-2) with light and heavy neutrino exchange, including R0νECEC, are given for all nuclei of interest from 48Ca to 238U. Predictions for half-lives and limits for average neutrino mass are also made. Possible additional scenarios, such as Majoron emission, is also discussed.
NASA Technical Reports Server (NTRS)
Schwenke, David W.
1993-01-01
We report the results of a series of calculations of state-to-state integral cross sections for collisions between O and nonvibrating H2O in the gas phase on a model nonreactive potential energy surface. The dynamical methods used include converged quantum mechanical scattering calculations, the j(z) conserving centrifugal sudden (j(z)-CCS) approximation, and quasi-classical trajectory (QCT) calculations. We consider three total energies 0.001, 0.002, and 0.005 E(h) and the nine initial states with rotational angular momentum less than or equal to 2 (h/2 pi). The j(z)-CCS approximation gives good results, while the QCT method can be quite unreliable for transitions to specific rotational sublevels. However, the QCT cross sections summed over final sublevels and averaged over initial sublevels are in better agreement with the quantum results.
NASA Technical Reports Server (NTRS)
Carta, F. O.
1982-01-01
Tests were conducted on a linear cascade of airfoils oscillating in pitch to measure the unsteady pressure response on selected blades along the leading edge plane of the cascade, over the chord of the center blade, and on the sidewall in the plane of the leading edge. The pressure data were reduced to Fourier coefficient form for direct comparison, and were also processed to yield integrated loads and, particularly, the aerodynamic damping coefficient. Results from the unsteady Verdon/Caspar theory for cascaded blades with nonzero thickness and camber were compared with the experimental measurements. The three primary results are: (1) from the leading edge plane blade data, the cascade was judged to be periodic in unsteady flow over the range of parameters tested; (2) the interblade phase angle was found to be the single most important parameter affecting the stability of the oscillating cascade blades; and (3) the real blade theory and the experiment were in excellent agreement for the several cases chosen for comparison.
NASA Astrophysics Data System (ADS)
Mourad, Daniel; Czycholl, Gerd; Kruse, Carsten; Klembt, Sebastian; Retzlaff, Reiner; Hommel, Detlef; Gartner, Mariuca; Anastasescu, Mihai
2010-10-01
Compound semiconductor alloys of the type AxB1-xC find widespread applications as their electronic bulk band gap varies continuously with x , and therefore a tailoring of the energy gap is possible by variation in the concentration. We model the electronic properties of such semiconductor alloys by a multiband sp3 tight-binding model on a finite ensemble of supercells and determine the band gap of the alloy. This treatment allows for an intrinsic reproduction of band bowing effects as a function of the concentration x and is exact in the alloy-induced disorder. In the present paper, we concentrate on bulk CdxZn1-xSe as a well-defined model system and give a careful analysis on the proper choice of the basis set and supercell size, as well as on the necessary number of realizations. The results are compared to experimental results obtained from ellipsometric measurements of CdxZn1-xSe layers prepared by molecular beam epitaxy and photoluminescence measurements on catalytically grown CdxZn1-xSe nanowires reported in the literature.
SIMOS,N.; KIRK,H.; FINFROCK,C.; PRIGL,R.; BROWN,K.; KAHN,S.; LUDEWIG,H.; MCDONALDK.; CATES,M.; TSAI,J.; BESHEARS,D.; RIEMER,B.
2001-11-11
The need for intense muon beams for muon colliders and neutrino factories has lead to a concept of a high performance target station in which a 1-4 MW proton beam of 6-24 GeV impinges on a target inside a high field solenoid channel. While novel technical issues exist regarding the survivability of the target itself, the need to pass the tightly focused proton beam through beam windows poses additional concerns. In this paper, issues associated with the interaction of a proton beam with window structures designed for the muon targetry experiment E951 at BNL are explored. Specifically, a 24 GeV proton beam up to 16 x 10{sup 12} per pulse and a pulse length of approximately 100 ns is expected to be tightly focused (to 0.5 mm rms one sigma radius) on an experimental target. Such beam will induce very high thermal, quasi-static and shock stresses in the window structure that exceed the strength of most common materials. In this effort, a detailed assessment of the thermal/shock response of beam windows is attempted with a goal of identifying the best window material candidate. Further, experimental strain results and comparison with the predicted values are presented and discussed.
NASA Technical Reports Server (NTRS)
Proctor, Margaret P.; Gunter, Edgar J.
2007-01-01
A case study of a high-speed seal test rotor shows how rotor dynamic analysis can be used to diagnose the source of high vibrations and evaluate a proposed remedy. Experimental results are compared with the synchronous and non-synchronous whirl response analysis of a double overhung, high-speed seal test rotor with ball bearings supported in 5.84- and 12.7-mm-long, un-centered squeeze-film oil dampers. Test performance with the original damper of length 5.84 mm was marginal. Non-synchronous whirling occurred at the overhung seal test disk and there was a high amplitude synchronous response near the drive spline above 32,000 rpm. Nonlinear synchronous unbalance and time transient whirl studies were conducted on the seal test rotor with the original and extended damper lengths. With the original damper design, the nonlinear synchronous response showed that unbalance could cause damper lockup at 33,000 rpm. Alford cross-coupling forces were also included at the overhung seal test disk for the whirl analysis. Sub-synchronous whirling at the seal test disk was observed in the nonlinear time transient analysis. With the extended damper length of 12.7 mm, the sub-synchronous motion was eliminated and the rotor unbalance response was acceptable to 45,000 rpm with moderate rotor unbalance. Seal test rotor orbits and vibration levels with the extended squeeze film dampers showed smooth operation to 40,444 rpm.
NASA Astrophysics Data System (ADS)
Humeau-Heurtier, Anne; Mahé, Guillaume; Chapeau-Blondeau, François; Rousseau, David; Abraham, Pierre
2012-07-01
Time irreversibility can be qualitatively defined as the degree of a signal for temporal asymmetry. Recently, a time irreversibility characterization method based on entropies of positive and negative increments has been proposed for experimental signals and applied to heart rate variability (HRV) data (central cardiovascular system (CVS)). The results led to interesting information as a time asymmetry index was found different for young subjects and elderly people or heart disease patients. Nevertheless, similar analyses have not yet been conducted on laser Doppler flowmetry (LDF) signals (peripheral CVS). We first propose to further investigate the above-mentioned characterization method. Then, LDF signals, LDF signals reduced to samples acquired during ECG R peaks (LDF_RECG signals) and HRV recorded simultaneously in healthy subjects are processed. Entropies of positive and negative increments for LDF signals show a nonmonotonic pattern: oscillations—more or less pronounced, depending on subjects—are found with a period matching the one of cardiac activity. However, such oscillations are not found with LDF_RECG nor with HRV. Moreover, the asymmetry index for LDF is markedly different from the ones of LDF_RECG and HRV. The cardiac activity may therefore play a dominant role in the time irreversibility properties of LDF signals.
The thermodynamic cost of accurate sensory adaptation
NASA Astrophysics Data System (ADS)
Tu, Yuhai
2015-03-01
Living organisms need to obtain and process environment information accurately in order to make decisions critical for their survival. Much progress have been made in identifying key components responsible for various biological functions, however, major challenges remain to understand system-level behaviors from the molecular-level knowledge of biology and to unravel possible physical principles for the underlying biochemical circuits. In this talk, we will present some recent works in understanding the chemical sensory system of E. coli by combining theoretical approaches with quantitative experiments. We focus on addressing the questions on how cells process chemical information and adapt to varying environment, and what are the thermodynamic limits of key regulatory functions, such as adaptation.
NASA Astrophysics Data System (ADS)
Bakhmetieva, Nataliya V.; Grigoriev; Tolmacheva, Ariadna V.
Artificial periodic irregularities (API) formed by the powerful standing radio waves in the ionospheric plasma give the good chance for the lower ionosphere comprehensive studies. In this paper we present some applications of the API technique for experimental studies of sporadic E-layers (E _{s}), internal gravity waves and turbulent events in the lower ionosphere. API are formed in the field of the standing radio wave produced by interference of the incident wave and reflected one from the ionosphere (in more details about the API technique one can see in the book Belikovich et al., Ionospheric Research by Means of Artificial Periodic Irregularities - Katlenburg-Lindau, Germany. 2002. Copernicus GmbH. ISBN 3-936586-03-9). The spatial period of the irregular structure is equal to the standing wavelength Lambda or one-half the powerful wavelength lambda/2. API diagnostics are carried out at the API relaxation or decay stage by their sounding of probing radio pulses. Based on the measurement of an amplitude and a phase of the API scattered signal their relaxation time and regular vertical plasma velocity are measured. In the E-region of the ionosphere API are formed as a result of the diffusion redistribution of the non-uniformly heated plasma. The relaxation of the periodic structure is specified by the ambipolar diffusion process. The diffusion time is tau=(K (2) D _{a}) (-1) where K=2pi/Lambda and D _{a} is the ambipolar diffusion rate. The atmospheric turbulence causes reduction of the API relaxation time in comparison the diffusion time. Determination of the turbulent velocity is based on this fact. The vertical plasma velocity is determined by measuring the phase of the scattered signal. Atmospheric waves having the periods from 5-10 minutes to 5-6 hours give the contribution to temporal variations of the velocity. Parameters and effects of atmospheric waves and the turbulence on the API relaxation process are presented. Determination of the masses of the
Keyword Search over Data Service Integration for Accurate Results
NASA Astrophysics Data System (ADS)
Zemleris, Vidmantas; Kuznetsov, Valentin; Gwadera, Robert
2014-06-01
Virtual Data Integration provides a coherent interface for querying heterogeneous data sources (e.g., web services, proprietary systems) with minimum upfront effort. Still, this requires its users to learn a new query language and to get acquainted with data organization which may pose problems even to proficient users. We present a keyword search system, which proposes a ranked list of structured queries along with their explanations. It operates mainly on the metadata, such as the constraints on inputs accepted by services. It was developed as an integral part of the CMS data discovery service, and is currently available as open source.
A comprehensive theoretical and experimental study of coplanar waveguide shunt stubs
NASA Technical Reports Server (NTRS)
Dib, Nihad I.; Ponchak, George E.; Katehi, Linda P. B.
1993-01-01
A comprehensive theoretical and experimental study of straight and bent coplanar waveguide (CPW) shunt stubs is presented. In the theoretical analysis, the CPW is assumed to be inside a cavity, while, the experiments are performed on open structures. A hybrid technique was developed to analyze the CPW discontinuities which proved to be accurate since the theoretical and experimental results agree very well. The effect of the cavity resonances on the behavior of the stubs with and without air-bridges is investigated. In addition, the encountered radiation loss due to the discontinuities is evaluated experimentally.
Predict amine solution properties accurately
Cheng, S.; Meisen, A.; Chakma, A.
1996-02-01
Improved process design begins with using accurate physical property data. Especially in the preliminary design stage, physical property data such as density viscosity, thermal conductivity and specific heat can affect the overall performance of absorbers, heat exchangers, reboilers and pump. These properties can also influence temperature profiles in heat transfer equipment and thus control or affect the rate of amine breakdown. Aqueous-amine solution physical property data are available in graphical form. However, it is not convenient to use with computer-based calculations. Developed equations allow improved correlations of derived physical property estimates with published data. Expressions are given which can be used to estimate physical properties of methyldiethanolamine (MDEA), monoethanolamine (MEA) and diglycolamine (DGA) solutions.
A fast approach for accurate content-adaptive mesh generation.
Yang, Yongyi; Wernick, Miles N; Brankov, Jovan G
2003-01-01
Mesh modeling is an important problem with many applications in image processing. A key issue in mesh modeling is how to generate a mesh structure that well represents an image by adapting to its content. We propose a new approach to mesh generation, which is based on a theoretical result derived on the error bound of a mesh representation. In the proposed method, the classical Floyd-Steinberg error-diffusion algorithm is employed to place mesh nodes in the image domain so that their spatial density varies according to the local image content. Delaunay triangulation is next applied to connect the mesh nodes. The result of this approach is that fine mesh elements are placed automatically in regions of the image containing high-frequency features while coarse mesh elements are used to represent smooth areas. The proposed algorithm is noniterative, fast, and easy to implement. Numerical results demonstrate that, at very low computational cost, the proposed approach can produce mesh representations that are more accurate than those produced by several existing methods. Moreover, it is demonstrated that the proposed algorithm performs well with images of various kinds, even in the presence of noise. PMID:18237961
Accurate mask model for advanced nodes
NASA Astrophysics Data System (ADS)
Zine El Abidine, Nacer; Sundermann, Frank; Yesilada, Emek; Ndiaye, El Hadji Omar; Mishra, Kushlendra; Paninjath, Sankaranarayanan; Bork, Ingo; Buck, Peter; Toublan, Olivier; Schanen, Isabelle
2014-07-01
Standard OPC models consist of a physical optical model and an empirical resist model. The resist model compensates the optical model imprecision on top of modeling resist development. The optical model imprecision may result from mask topography effects and real mask information including mask ebeam writing and mask process contributions. For advanced technology nodes, significant progress has been made to model mask topography to improve optical model accuracy. However, mask information is difficult to decorrelate from standard OPC model. Our goal is to establish an accurate mask model through a dedicated calibration exercise. In this paper, we present a flow to calibrate an accurate mask enabling its implementation. The study covers the different effects that should be embedded in the mask model as well as the experiment required to model them.
Accurate guitar tuning by cochlear implant musicians.
Lu, Thomas; Huang, Juan; Zeng, Fan-Gang
2014-01-01
Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼ 30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task. PMID:24651081
Two highly accurate methods for pitch calibration
NASA Astrophysics Data System (ADS)
Kniel, K.; Härtig, F.; Osawa, S.; Sato, O.
2009-11-01
Among profiles, helix and tooth thickness pitch is one of the most important parameters of an involute gear measurement evaluation. In principle, coordinate measuring machines (CMM) and CNC-controlled gear measuring machines as a variant of a CMM are suited for these kinds of gear measurements. Now the Japan National Institute of Advanced Industrial Science and Technology (NMIJ/AIST) and the German national metrology institute the Physikalisch-Technische Bundesanstalt (PTB) have each developed independently highly accurate pitch calibration methods applicable to CMM or gear measuring machines. Both calibration methods are based on the so-called closure technique which allows the separation of the systematic errors of the measurement device and the errors of the gear. For the verification of both calibration methods, NMIJ/AIST and PTB performed measurements on a specially designed pitch artifact. The comparison of the results shows that both methods can be used for highly accurate calibrations of pitch standards.
Accurate Guitar Tuning by Cochlear Implant Musicians
Lu, Thomas; Huang, Juan; Zeng, Fan-Gang
2014-01-01
Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task. PMID:24651081
Accurate spectral modeling for infrared radiation
NASA Technical Reports Server (NTRS)
Tiwari, S. N.; Gupta, S. K.
1977-01-01
Direct line-by-line integration and quasi-random band model techniques are employed to calculate the spectral transmittance and total band absorptance of 4.7 micron CO, 4.3 micron CO2, 15 micron CO2, and 5.35 micron NO bands. Results are obtained for different pressures, temperatures, and path lengths. These are compared with available theoretical and experimental investigations. For each gas, extensive tabulations of results are presented for comparative purposes. In almost all cases, line-by-line results are found to be in excellent agreement with the experimental values. The range of validity of other models and correlations are discussed.
Madebene, Bruno; Ulusoy, Inga; Mancera, Luis; Scribano, Yohann; Chulkov, Sergey
2011-01-01
Summary We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation of the vibrational self-consistent field approach and its correlation corrections. We show that our approach is both robust, accurate and can be easily deployed on computational grids in order to provide an efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters. PMID:22003450
NASA Technical Reports Server (NTRS)
Graves, R. A., Jr.
1975-01-01
The previously obtained second-order-accurate partial implicitization numerical technique used in the solution of fluid dynamic problems was modified with little complication to achieve fourth-order accuracy. The Von Neumann stability analysis demonstrated the unconditional linear stability of the technique. The order of the truncation error was deduced from the Taylor series expansions of the linearized difference equations and was verified by numerical solutions to Burger's equation. For comparison, results were also obtained for Burger's equation using a second-order-accurate partial-implicitization scheme, as well as the fourth-order scheme of Kreiss.
Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.
Samsudin, Firdaus; Parker, Joanne L; Sansom, Mark S P; Newstead, Simon; Fowler, Philip W
2016-02-18
Membrane transporters are critical modulators of drug pharmacokinetics, efficacy, and safety. One example is the proton-dependent oligopeptide transporter PepT1, also known as SLC15A1, which is responsible for the uptake of the ?-lactam antibiotics and various peptide-based prodrugs. In this study, we modeled the binding of various peptides to a bacterial homolog, PepTSt, and evaluated a range of computational methods for predicting the free energy of binding. Our results show that a hybrid approach (endpoint methods to classify peptides into good and poor binders and a theoretically exact method for refinement) is able to accurately predict affinities, which we validated using proteoliposome transport assays. Applying the method to a homology model of PepT1 suggests that the approach requires a high-quality structure to be accurate. Our study provides a blueprint for extending these computational methodologies to other pharmaceutically important transporter families. PMID:27028887
Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter
Samsudin, Firdaus; Parker, Joanne L.; Sansom, Mark S.P.; Newstead, Simon; Fowler, Philip W.
2016-01-01
Summary Membrane transporters are critical modulators of drug pharmacokinetics, efficacy, and safety. One example is the proton-dependent oligopeptide transporter PepT1, also known as SLC15A1, which is responsible for the uptake of the β-lactam antibiotics and various peptide-based prodrugs. In this study, we modeled the binding of various peptides to a bacterial homolog, PepTSt, and evaluated a range of computational methods for predicting the free energy of binding. Our results show that a hybrid approach (endpoint methods to classify peptides into good and poor binders and a theoretically exact method for refinement) is able to accurately predict affinities, which we validated using proteoliposome transport assays. Applying the method to a homology model of PepT1 suggests that the approach requires a high-quality structure to be accurate. Our study provides a blueprint for extending these computational methodologies to other pharmaceutically important transporter families. PMID:27028887
Accurate lineshape spectroscopy and the Boltzmann constant
Truong, G.-W.; Anstie, J. D.; May, E. F.; Stace, T. M.; Luiten, A. N.
2015-01-01
Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here, we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a very accurate measurement of the excited-state (6P1/2) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity dispersion of the Cs vapour with an uncertainty of 35 p.p.m. within an hour. This allows us to determine a value for Boltzmann's constant with a precision of 6 p.p.m., and an uncertainty of 71 p.p.m. PMID:26465085
Accurate lineshape spectroscopy and the Boltzmann constant.
Truong, G-W; Anstie, J D; May, E F; Stace, T M; Luiten, A N
2015-01-01
Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here, we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a very accurate measurement of the excited-state (6P1/2) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity dispersion of the Cs vapour with an uncertainty of 35 p.p.m. within an hour. This allows us to determine a value for Boltzmann's constant with a precision of 6 p.p.m., and an uncertainty of 71 p.p.m. PMID:26465085
Accurate ab Initio Spin Densities
2012-01-01
We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740]. PMID:22707921
Accurate measurement of liquid transport through nanoscale conduits
NASA Astrophysics Data System (ADS)
Alibakhshi, Mohammad Amin; Xie, Quan; Li, Yinxiao; Duan, Chuanhua
2016-04-01
Nanoscale liquid transport governs the behaviour of a wide range of nanofluidic systems, yet remains poorly characterized and understood due to the enormous hydraulic resistance associated with the nanoconfinement and the resulting minuscule flow rates in such systems. To overcome this problem, here we present a new measurement technique based on capillary flow and a novel hybrid nanochannel design and use it to measure water transport through single 2-D hydrophilic silica nanochannels with heights down to 7 nm. Our results show that silica nanochannels exhibit increased mass flow resistance compared to the classical hydrodynamics prediction. This difference increases with decreasing channel height and reaches 45% in the case of 7 nm nanochannels. This resistance increase is attributed to the formation of a 7-angstrom-thick stagnant hydration layer on the hydrophilic surfaces. By avoiding use of any pressure and flow sensors or any theoretical estimations the hybrid nanochannel scheme enables facile and precise flow measurement through single nanochannels, nanotubes, or nanoporous media and opens the prospect for accurate characterization of both hydrophilic and hydrophobic nanofluidic systems.
Accurate measurement of liquid transport through nanoscale conduits.
Alibakhshi, Mohammad Amin; Xie, Quan; Li, Yinxiao; Duan, Chuanhua
2016-01-01
Nanoscale liquid transport governs the behaviour of a wide range of nanofluidic systems, yet remains poorly characterized and understood due to the enormous hydraulic resistance associated with the nanoconfinement and the resulting minuscule flow rates in such systems. To overcome this problem, here we present a new measurement technique based on capillary flow and a novel hybrid nanochannel design and use it to measure water transport through single 2-D hydrophilic silica nanochannels with heights down to 7 nm. Our results show that silica nanochannels exhibit increased mass flow resistance compared to the classical hydrodynamics prediction. This difference increases with decreasing channel height and reaches 45% in the case of 7 nm nanochannels. This resistance increase is attributed to the formation of a 7-angstrom-thick stagnant hydration layer on the hydrophilic surfaces. By avoiding use of any pressure and flow sensors or any theoretical estimations the hybrid nanochannel scheme enables facile and precise flow measurement through single nanochannels, nanotubes, or nanoporous media and opens the prospect for accurate characterization of both hydrophilic and hydrophobic nanofluidic systems. PMID:27112404
Accurate measurement of liquid transport through nanoscale conduits
Alibakhshi, Mohammad Amin; Xie, Quan; Li, Yinxiao; Duan, Chuanhua
2016-01-01
Nanoscale liquid transport governs the behaviour of a wide range of nanofluidic systems, yet remains poorly characterized and understood due to the enormous hydraulic resistance associated with the nanoconfinement and the resulting minuscule flow rates in such systems. To overcome this problem, here we present a new measurement technique based on capillary flow and a novel hybrid nanochannel design and use it to measure water transport through single 2-D hydrophilic silica nanochannels with heights down to 7 nm. Our results show that silica nanochannels exhibit increased mass flow resistance compared to the classical hydrodynamics prediction. This difference increases with decreasing channel height and reaches 45% in the case of 7 nm nanochannels. This resistance increase is attributed to the formation of a 7-angstrom-thick stagnant hydration layer on the hydrophilic surfaces. By avoiding use of any pressure and flow sensors or any theoretical estimations the hybrid nanochannel scheme enables facile and precise flow measurement through single nanochannels, nanotubes, or nanoporous media and opens the prospect for accurate characterization of both hydrophilic and hydrophobic nanofluidic systems. PMID:27112404
NASA Astrophysics Data System (ADS)
Zhao, Xiao-mei; Xie, Dong-fan; Li, Qi
2015-02-01
With the development of intelligent transport system, advanced information feedback strategies have been developed to reduce traffic congestion and enhance the capacity. However, previous strategies provide accurate information to travelers and our simulation results show that accurate information brings negative effects, especially in delay case. Because travelers prefer to the best condition route with accurate information, and delayed information cannot reflect current traffic condition but past. Then travelers make wrong routing decisions, causing the decrease of the capacity and the increase of oscillations and the system deviating from the equilibrium. To avoid the negative effect, bounded rationality is taken into account by introducing a boundedly rational threshold BR. When difference between two routes is less than the BR, routes have equal probability to be chosen. The bounded rationality is helpful to improve the efficiency in terms of capacity, oscillation and the gap deviating from the system equilibrium.
Li, Kui; Wang, Lei; Lv, Yanhong; Gao, Pengyu; Song, Tianxiao
2015-01-01
Getting a land vehicle’s accurate position, azimuth and attitude rapidly is significant for vehicle based weapons’ combat effectiveness. In this paper, a new approach to acquire vehicle’s accurate position and orientation is proposed. It uses biaxial optical detection platform (BODP) to aim at and lock in no less than three pre-set cooperative targets, whose accurate positions are measured beforehand. Then, it calculates the vehicle’s accurate position, azimuth and attitudes by the rough position and orientation provided by vehicle based navigation systems and no less than three couples of azimuth and pitch angles measured by BODP. The proposed approach does not depend on Global Navigation Satellite System (GNSS), thus it is autonomous and difficult to interfere. Meanwhile, it only needs a rough position and orientation as algorithm’s iterative initial value, consequently, it does not have high performance requirement for Inertial Navigation System (INS), odometer and other vehicle based navigation systems, even in high precise applications. This paper described the system’s working procedure, presented theoretical deviation of the algorithm, and then verified its effectiveness through simulation and vehicle experiments. The simulation and experimental results indicate that the proposed approach can achieve positioning and orientation accuracy of 0.2 m and 20″ respectively in less than 3 min. PMID:26492249
Li, Kui; Wang, Lei; Lv, Yanhong; Gao, Pengyu; Song, Tianxiao
2015-01-01
Getting a land vehicle's accurate position, azimuth and attitude rapidly is significant for vehicle based weapons' combat effectiveness. In this paper, a new approach to acquire vehicle's accurate position and orientation is proposed. It uses biaxial optical detection platform (BODP) to aim at and lock in no less than three pre-set cooperative targets, whose accurate positions are measured beforehand. Then, it calculates the vehicle's accurate position, azimuth and attitudes by the rough position and orientation provided by vehicle based navigation systems and no less than three couples of azimuth and pitch angles measured by BODP. The proposed approach does not depend on Global Navigation Satellite System (GNSS), thus it is autonomous and difficult to interfere. Meanwhile, it only needs a rough position and orientation as algorithm's iterative initial value, consequently, it does not have high performance requirement for Inertial Navigation System (INS), odometer and other vehicle based navigation systems, even in high precise applications. This paper described the system's working procedure, presented theoretical deviation of the algorithm, and then verified its effectiveness through simulation and vehicle experiments. The simulation and experimental results indicate that the proposed approach can achieve positioning and orientation accuracy of 0.2 m and 20″ respectively in less than 3 min. PMID:26492249
Theoretical approximations and experimental extinction coefficients of biopharmaceuticals.
Miranda-Hernández, Mariana P; Valle-González, Elba R; Ferreira-Gómez, David; Pérez, Néstor O; Flores-Ortiz, Luis F; Medina-Rivero, Emilio
2016-02-01
UV spectrophotometric measurement is a widely accepted and standardized routine analysis for quantitation of highly purified proteins; however, the reliability of the results strictly depends on the accuracy of the employed extinction coefficients. In this work, an experimental estimation of the differential refractive index (dn/dc), based on dry weight measurements, was performed in order to determine accurate extinction coefficients for four biotherapeutic proteins and one synthetic copolymer after separation in a size-exclusion ultra-performance liquid chromatograph coupled to an ultraviolet, multiangle light scattering and refractive index (SE-UPLC-UV-MALS-RI) multidetection system. The results showed small deviations with respect to theoretical values, calculated from the specific amino acid sequences, for all the studied immunoglobulins. Nevertheless, for proteins like etanercept and glatiramer acetate, several considerations, such as glycan content, partial specific volume, polarizability, and higher order structure, should be considered to properly calculate theoretical extinction coefficient values. Herein, these values were assessed with simple approximations. The precision of the experimentally obtained extinction coefficients, and its convergence towards the theoretical values, makes them useful for characterization and comparability exercises. Also, these values provide insight into the absorbance and scattering properties of the evaluated proteins. Overall, this methodology is capable of providing accurate extinction coefficients useful for development studies. PMID:26715251
Accurate density functional thermochemistry for larger molecules.
Raghavachari, K.; Stefanov, B. B.; Curtiss, L. A.; Lucent Tech.
1997-06-20
Density functional methods are combined with isodesmic bond separation reaction energies to yield accurate thermochemistry for larger molecules. Seven different density functionals are assessed for the evaluation of heats of formation, Delta H 0 (298 K), for a test set of 40 molecules composed of H, C, O and N. The use of bond separation energies results in a dramatic improvement in the accuracy of all the density functionals. The B3-LYP functional has the smallest mean absolute deviation from experiment (1.5 kcal mol/f).
NASA Technical Reports Server (NTRS)
Mullan, Dermott J.
1987-01-01
Theoretical work on the atmospheres of M dwarfs has progressed along lines parallel to those followed in the study of other classes of stars. Such models have become increasingly sophisticated as improvements in opacities, in the equation of state, and in the treatment of convection were incorporated during the last 15 to 20 years. As a result, spectrophotometric data on M dwarfs can now be fitted rather well by current models. The various attempts at modeling M dwarf photospheres in purely thermal terms are summarized. Some extensions of these models to include the effects of microturbulence and magnetic inhomogeneities are presented.
Accurate ab initio vibrational energies of methyl chloride
Owens, Alec; Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter
2015-06-28
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level ab initio theory for the two main isotopologues of methyl chloride, CH{sub 3}{sup 35}Cl and CH{sub 3}{sup 37}Cl. The respective PESs, CBS-35{sup HL}, and CBS-37{sup HL}, are based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set (CBS) limit, and incorporate a range of higher-level (HL) additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, scalar relativistic effects, and diagonal Born-Oppenheimer corrections. Variational calculations of the vibrational energy levels were performed using the computer program TROVE, whose functionality has been extended to handle molecules of the form XY {sub 3}Z. Fully converged energies were obtained by means of a complete vibrational basis set extrapolation. The CBS-35{sup HL} and CBS-37{sup HL} PESs reproduce the fundamental term values with root-mean-square errors of 0.75 and 1.00 cm{sup −1}, respectively. An analysis of the combined effect of the HL corrections and CBS extrapolation on the vibrational wavenumbers indicates that both are needed to compute accurate theoretical results for methyl chloride. We believe that it would be extremely challenging to go beyond the accuracy currently achieved for CH{sub 3}Cl without empirical refinement of the respective PESs.
Accurate Prediction of Binding Thermodynamics for DNA on Surfaces
Vainrub, Arnold; Pettitt, B. Montgomery
2011-01-01
For DNA mounted on surfaces for microarrays, microbeads and nanoparticles, the nature of the random attachment of oligonucleotide probes to an amorphous surface gives rise to a locally inhomogeneous probe density. These fluctuations of the probe surface density are inherent to all common surface or bead platforms, regardless if they exploit either an attachment of pre-synthesized probes or probes synthesized in situ on the surface. Here, we demonstrate for the first time the crucial role of the probe surface density fluctuations in performance of DNA arrays. We account for the density fluctuations with a disordered two-dimensional surface model and derive the corresponding array hybridization isotherm that includes a counter-ion screened electrostatic repulsion between the assayed DNA and probe array. The calculated melting curves are in excellent agreement with published experimental results for arrays with both pre-synthesized and in-situ synthesized oligonucleotide probes. The approach developed allows one to accurately predict the melting curves of DNA arrays using only the known sequence dependent hybridization enthalpy and entropy in solution and the experimental macroscopic surface density of probes. This opens the way to high precision theoretical design and optimization of probes and primers in widely used DNA array-based high-throughput technologies for gene expression, genotyping, next-generation sequencing, and surface polymerase extension. PMID:21972932
Accurate ab initio vibrational energies of methyl chloride.
Owens, Alec; Yurchenko, Sergei N; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter
2015-06-28
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level ab initio theory for the two main isotopologues of methyl chloride, CH3 (35)Cl and CH3 (37)Cl. The respective PESs, CBS-35( HL), and CBS-37( HL), are based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set (CBS) limit, and incorporate a range of higher-level (HL) additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, scalar relativistic effects, and diagonal Born-Oppenheimer corrections. Variational calculations of the vibrational energy levels were performed using the computer program TROVE, whose functionality has been extended to handle molecules of the form XY 3Z. Fully converged energies were obtained by means of a complete vibrational basis set extrapolation. The CBS-35( HL) and CBS-37( HL) PESs reproduce the fundamental term values with root-mean-square errors of 0.75 and 1.00 cm(-1), respectively. An analysis of the combined effect of the HL corrections and CBS extrapolation on the vibrational wavenumbers indicates that both are needed to compute accurate theoretical results for methyl chloride. We believe that it would be extremely challenging to go beyond the accuracy currently achieved for CH3Cl without empirical refinement of the respective PESs. PMID:26133427
Accurate ab initio vibrational energies of methyl chloride
NASA Astrophysics Data System (ADS)
Owens, Alec; Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter
2015-06-01
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level ab initio theory for the two main isotopologues of methyl chloride, CH335Cl and CH337Cl. The respective PESs, CBS-35 HL, and CBS-37 HL, are based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set (CBS) limit, and incorporate a range of higher-level (HL) additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, scalar relativistic effects, and diagonal Born-Oppenheimer corrections. Variational calculations of the vibrational energy levels were performed using the computer program TROVE, whose functionality has been extended to handle molecules of the form XY 3Z. Fully converged energies were obtained by means of a complete vibrational basis set extrapolation. The CBS-35 HL and CBS-37 HL PESs reproduce the fundamental term values with root-mean-square errors of 0.75 and 1.00 cm-1, respectively. An analysis of the combined effect of the HL corrections and CBS extrapolation on the vibrational wavenumbers indicates that both are needed to compute accurate theoretical results for methyl chloride. We believe that it would be extremely challenging to go beyond the accuracy currently achieved for CH3Cl without empirical refinement of the respective PESs.
Accurate measurement of unsteady state fluid temperature
NASA Astrophysics Data System (ADS)
Jaremkiewicz, Magdalena
2016-07-01
In this paper, two accurate methods for determining the transient fluid temperature were presented. Measurements were conducted for boiling water since its temperature is known. At the beginning the thermometers are at the ambient temperature and next they are immediately immersed into saturated water. The measurements were carried out with two thermometers of different construction but with the same housing outer diameter equal to 15 mm. One of them is a K-type industrial thermometer widely available commercially. The temperature indicated by the thermometer was corrected considering the thermometers as the first or second order inertia devices. The new design of a thermometer was proposed and also used to measure the temperature of boiling water. Its characteristic feature is a cylinder-shaped housing with the sheath thermocouple located in its center. The temperature of the fluid was determined based on measurements taken in the axis of the solid cylindrical element (housing) using the inverse space marching method. Measurements of the transient temperature of the air flowing through the wind tunnel using the same thermometers were also carried out. The proposed measurement technique provides more accurate results compared with measurements using industrial thermometers in conjunction with simple temperature correction using the inertial thermometer model of the first or second order. By comparing the results, it was demonstrated that the new thermometer allows obtaining the fluid temperature much faster and with higher accuracy in comparison to the industrial thermometer. Accurate measurements of the fast changing fluid temperature are possible due to the low inertia thermometer and fast space marching method applied for solving the inverse heat conduction problem.
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2013 CFR
2013-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2014 CFR
2014-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2012 CFR
2012-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
Fast and accurate propagation of coherent light
Lewis, R. D.; Beylkin, G.; Monzón, L.
2013-01-01
We describe a fast algorithm to propagate, for any user-specified accuracy, a time-harmonic electromagnetic field between two parallel planes separated by a linear, isotropic and homogeneous medium. The analytical formulation of this problem (ca 1897) requires the evaluation of the so-called Rayleigh–Sommerfeld integral. If the distance between the planes is small, this integral can be accurately evaluated in the Fourier domain; if the distance is very large, it can be accurately approximated by asymptotic methods. In the large intermediate region of practical interest, where the oscillatory Rayleigh–Sommerfeld kernel must be applied directly, current numerical methods can be highly inaccurate without indicating this fact to the user. In our approach, for any user-specified accuracy ϵ>0, we approximate the kernel by a short sum of Gaussians with complex-valued exponents, and then efficiently apply the result to the input data using the unequally spaced fast Fourier transform. The resulting algorithm has computational complexity , where we evaluate the solution on an N×N grid of output points given an M×M grid of input samples. Our algorithm maintains its accuracy throughout the computational domain. PMID:24204184
Accurate determination of characteristic relative permeability curves
NASA Astrophysics Data System (ADS)
Krause, Michael H.; Benson, Sally M.
2015-09-01
A recently developed technique to accurately characterize sub-core scale heterogeneity is applied to investigate the factors responsible for flowrate-dependent effective relative permeability curves measured on core samples in the laboratory. The dependency of laboratory measured relative permeability on flowrate has long been both supported and challenged by a number of investigators. Studies have shown that this apparent flowrate dependency is a result of both sub-core scale heterogeneity and outlet boundary effects. However this has only been demonstrated numerically for highly simplified models of porous media. In this paper, flowrate dependency of effective relative permeability is demonstrated using two rock cores, a Berea Sandstone and a heterogeneous sandstone from the Otway Basin Pilot Project in Australia. Numerical simulations of steady-state coreflooding experiments are conducted at a number of injection rates using a single set of input characteristic relative permeability curves. Effective relative permeability is then calculated from the simulation data using standard interpretation methods for calculating relative permeability from steady-state tests. Results show that simplified approaches may be used to determine flowrate-independent characteristic relative permeability provided flow rate is sufficiently high, and the core heterogeneity is relatively low. It is also shown that characteristic relative permeability can be determined at any typical flowrate, and even for geologically complex models, when using accurate three-dimensional models.
Accurately Mapping M31's Microlensing Population
NASA Astrophysics Data System (ADS)
Crotts, Arlin
2004-07-01
We propose to augment an existing microlensing survey of M31 with source identifications provided by a modest amount of ACS {and WFPC2 parallel} observations to yield an accurate measurement of the masses responsible for microlensing in M31, and presumably much of its dark matter. The main benefit of these data is the determination of the physical {or "einstein"} timescale of each microlensing event, rather than an effective {"FWHM"} timescale, allowing masses to be determined more than twice as accurately as without HST data. The einstein timescale is the ratio of the lensing cross-sectional radius and relative velocities. Velocities are known from kinematics, and the cross-section is directly proportional to the {unknown} lensing mass. We cannot easily measure these quantities without knowing the amplification, hence the baseline magnitude, which requires the resolution of HST to find the source star. This makes a crucial difference because M31 lens m ass determinations can be more accurate than those towards the Magellanic Clouds through our Galaxy's halo {for the same number of microlensing events} due to the better constrained geometry in the M31 microlensing situation. Furthermore, our larger survey, just completed, should yield at least 100 M31 microlensing events, more than any Magellanic survey. A small amount of ACS+WFPC2 imaging will deliver the potential of this large database {about 350 nights}. For the whole survey {and a delta-function mass distribution} the mass error should approach only about 15%, or about 6% error in slope for a power-law distribution. These results will better allow us to pinpoint the lens halo fraction, and the shape of the halo lens spatial distribution, and allow generalization/comparison of the nature of halo dark matter in spiral galaxies. In addition, we will be able to establish the baseline magnitude for about 50, 000 variable stars, as well as measure an unprecedentedly deta iled color-magnitude diagram and luminosity
Accurate upwind methods for the Euler equations
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1993-01-01
A new class of piecewise linear methods for the numerical solution of the one-dimensional Euler equations of gas dynamics is presented. These methods are uniformly second-order accurate, and can be considered as extensions of Godunov's scheme. With an appropriate definition of monotonicity preservation for the case of linear convection, it can be shown that they preserve monotonicity. Similar to Van Leer's MUSCL scheme, they consist of two key steps: a reconstruction step followed by an upwind step. For the reconstruction step, a monotonicity constraint that preserves uniform second-order accuracy is introduced. Computational efficiency is enhanced by devising a criterion that detects the 'smooth' part of the data where the constraint is redundant. The concept and coding of the constraint are simplified by the use of the median function. A slope steepening technique, which has no effect at smooth regions and can resolve a contact discontinuity in four cells, is described. As for the upwind step, existing and new methods are applied in a manner slightly different from those in the literature. These methods are derived by approximating the Euler equations via linearization and diagonalization. At a 'smooth' interface, Harten, Lax, and Van Leer's one intermediate state model is employed. A modification for this model that can resolve contact discontinuities is presented. Near a discontinuity, either this modified model or a more accurate one, namely, Roe's flux-difference splitting. is used. The current presentation of Roe's method, via the conceptually simple flux-vector splitting, not only establishes a connection between the two splittings, but also leads to an admissibility correction with no conditional statement, and an efficient approximation to Osher's approximate Riemann solver. These reconstruction and upwind steps result in schemes that are uniformly second-order accurate and economical at smooth regions, and yield high resolution at discontinuities.
Accurate Thermal Stresses for Beams: Normal Stress
NASA Technical Reports Server (NTRS)
Johnson, Theodore F.; Pilkey, Walter D.
2003-01-01
Formulations for a general theory of thermoelasticity to generate accurate thermal stresses for structural members of aeronautical vehicles were developed in 1954 by Boley. The formulation also provides three normal stresses and a shear stress along the entire length of the beam. The Poisson effect of the lateral and transverse normal stresses on a thermally loaded beam is taken into account in this theory by employing an Airy stress function. The Airy stress function enables the reduction of the three-dimensional thermal stress problem to a two-dimensional one. Numerical results from the general theory of thermoelasticity are compared to those obtained from strength of materials. It is concluded that the theory of thermoelasticity for prismatic beams proposed in this paper can be used instead of strength of materials when precise stress results are desired.
Accurate Thermal Stresses for Beams: Normal Stress
NASA Technical Reports Server (NTRS)
Johnson, Theodore F.; Pilkey, Walter D.
2002-01-01
Formulations for a general theory of thermoelasticity to generate accurate thermal stresses for structural members of aeronautical vehicles were developed in 1954 by Boley. The formulation also provides three normal stresses and a shear stress along the entire length of the beam. The Poisson effect of the lateral and transverse normal stresses on a thermally loaded beam is taken into account in this theory by employing an Airy stress function. The Airy stress function enables the reduction of the three-dimensional thermal stress problem to a two-dimensional one. Numerical results from the general theory of thermoelasticity are compared to those obtained from strength of materials. It is concluded that the theory of thermoelasticity for prismatic beams proposed in this paper can be used instead of strength of materials when precise stress results are desired.
Accurate numerical solutions of conservative nonlinear oscillators
NASA Astrophysics Data System (ADS)
Khan, Najeeb Alam; Nasir Uddin, Khan; Nadeem Alam, Khan
2014-12-01
The objective of this paper is to present an investigation to analyze the vibration of a conservative nonlinear oscillator in the form u" + lambda u + u^(2n-1) + (1 + epsilon^2 u^(4m))^(1/2) = 0 for any arbitrary power of n and m. This method converts the differential equation to sets of algebraic equations and solve numerically. We have presented for three different cases: a higher order Duffing equation, an equation with irrational restoring force and a plasma physics equation. It is also found that the method is valid for any arbitrary order of n and m. Comparisons have been made with the results found in the literature the method gives accurate results.
Accurate radiative transfer calculations for layered media.
Selden, Adrian C
2016-07-01
Simple yet accurate results for radiative transfer in layered media with discontinuous refractive index are obtained by the method of K-integrals. These are certain weighted integrals applied to the angular intensity distribution at the refracting boundaries. The radiative intensity is expressed as the sum of the asymptotic angular intensity distribution valid in the depth of the scattering medium and a transient term valid near the boundary. Integrated boundary equations are obtained, yielding simple linear equations for the intensity coefficients, enabling the angular emission intensity and the diffuse reflectance (albedo) and transmittance of the scattering layer to be calculated without solving the radiative transfer equation directly. Examples are given of half-space, slab, interface, and double-layer calculations, and extensions to multilayer systems are indicated. The K-integral method is orders of magnitude more accurate than diffusion theory and can be applied to layered scattering media with a wide range of scattering albedos, with potential applications to biomedical and ocean optics. PMID:27409700
Theoretical molecular studies of astrophysical interest
NASA Technical Reports Server (NTRS)
Flynn, George
1991-01-01
When work under this grant began in 1974 there was a great need for state-to-state collisional excitation rates for interstellar molecules observed by radio astronomers. These were required to interpret observed line intensities in terms of local temperatures and densities, but, owing to lack of experimental or theoretical values, estimates then being used for this purpose ranged over several orders of magnitude. A problem of particular interest was collisional excitation of formaldehyde; Townes and Cheung had suggested that the relative size of different state-to-state rates (propensity rules) was responsible for the anomalous absorption observed for this species. We believed that numerical molecular scattering techniques (in particular the close coupling or coupled channel method) could be used to obtain accurate results, and that these would be computationally feasible since only a few molecular rotational levels are populated at the low temperatures thought to prevail in the observed regions. Such calculations also require detailed knowledge of the intermolecular forces, but we thought that those could also be obtained with sufficient accuracy by theoretical (quantum chemical) techniques. Others, notably Roy Gordon at Harvard, had made progress in solving the molecular scattering equations, generally using semi-empirical intermolecular potentials. Work done under this grant generalized Gordon's scattering code, and introduced the use of theoretical interaction potentials obtained by solving the molecular Schroedinger equation. Earlier work had considered only the excitation of a diatomic molecule by collisions with an atom, and we extended the formalism to include excitation of more general molecular rotors (e.g., H2CO, NH2, and H2O) and also collisions of two rotors (e.g., H2-H2).
NASA Astrophysics Data System (ADS)
Ericksen, Everet O.; Gordaninejad, Faramarz
2000-06-01
This work presents a theoretical model for the damping force of a magneto-rheological fluid (MRF) shock absorber of an off-road motorcycle. The Bingham plastic model and a 3D electromagnetic finite-element analysis are employed to develop a theoretical model to estimate the damping force of a MRF shock absorber. The mode is based on the physical parameters of the device as well as the properties of the fluid, making a valuable tool in shock absorber design for a particular application. By comparing the theoretical and experimental results, it is demonstrated that the model accurately predicts the damping force.
Detecting Cancer Quickly and Accurately
NASA Astrophysics Data System (ADS)
Gourley, Paul; McDonald, Anthony; Hendricks, Judy; Copeland, Guild; Hunter, John; Akhil, Ohmar; Capps, Heather; Curry, Marc; Skirboll, Steve
2000-03-01
We present a new technique for high throughput screening of tumor cells in a sensitive nanodevice that has the potential to quickly identify a cell population that has begun the rapid protein synthesis and mitosis characteristic of cancer cell proliferation. Currently, pathologists rely on microscopic examination of cell morphology using century-old staining methods that are labor-intensive, time-consuming and frequently in error. New micro-analytical methods for automated, real time screening without chemical modification are critically needed to advance pathology and improve diagnoses. We have teamed scientists with physicians to create a microlaser biochip (based upon our R&D award winning bio-laser concept)1 which evaluates tumor cells by quantifying their growth kinetics. The key new discovery was demonstrating that the lasing spectra are sensitive to the biomolecular mass in the cell, which changes the speed of light in the laser microcavity. Initial results with normal and cancerous human brain cells show that only a few hundred cells -- the equivalent of a billionth of a liter -- are required to detect abnormal growth. The ability to detect cancer in such a minute tissue sample is crucial for resecting a tumor margin or grading highly localized tumor malignancy. 1. P. L. Gourley, NanoLasers, Scientific American, March 1998, pp. 56-61. This work supported under DOE contract DE-AC04-94AL85000 and the Office of Basic Energy Sciences.
Detecting cancer quickly and accurately
NASA Astrophysics Data System (ADS)
Gourley, Paul L.; McDonald, Anthony E.; Hendricks, Judy K.; Copeland, G. C.; Hunter, John A.; Akhil, O.; Cheung, D.; Cox, Jimmy D.; Capps, H.; Curry, Mark S.; Skirboll, Steven K.
2000-03-01
We present a new technique for high throughput screening of tumor cells in a sensitive nanodevice that has the potential to quickly identify a cell population that has begun the rapid protein synthesis and mitosis characteristic of cancer cell proliferation. Currently, pathologists rely on microscopic examination of cell morphology using century-old staining methods that are labor-intensive, time-consuming and frequently in error. New micro-analytical methods for automated, real time screening without chemical modification are critically needed to advance pathology and improve diagnoses. We have teamed scientists with physicians to create a microlaser biochip (based upon our R&D award winning bio- laser concept) which evaluates tumor cells by quantifying their growth kinetics. The key new discovery was demonstrating that the lasing spectra are sensitive to the biomolecular mass in the cell, which changes the speed of light in the laser microcavity. Initial results with normal and cancerous human brain cells show that only a few hundred cells -- the equivalent of a billionth of a liter -- are required to detect abnormal growth. The ability to detect cancer in such a minute tissue sample is crucial for resecting a tumor margin or grading highly localized tumor malignancy.
Accurate Mass Measurements in Proteomics
Liu, Tao; Belov, Mikhail E.; Jaitly, Navdeep; Qian, Weijun; Smith, Richard D.
2007-08-01
To understand different aspects of life at the molecular level, one would think that ideally all components of specific processes should be individually isolated and studied in details. Reductionist approaches, i.e., studying one biological event at a one-gene or one-protein-at-a-time basis, indeed have made significant contributions to our understanding of many basic facts of biology. However, these individual “building blocks” can not be visualized as a comprehensive “model” of the life of cells, tissues, and organisms, without using more integrative approaches.1,2 For example, the emerging field of “systems biology” aims to quantify all of the components of a biological system to assess their interactions and to integrate diverse types of information obtainable from this system into models that could explain and predict behaviors.3-6 Recent breakthroughs in genomics, proteomics, and bioinformatics are making this daunting task a reality.7-14 Proteomics, the systematic study of the entire complement of proteins expressed by an organism, tissue, or cell under a specific set of conditions at a specific time (i.e., the proteome), has become an essential enabling component of systems biology. While the genome of an organism may be considered static over short timescales, the expression of that genome as the actual gene products (i.e., mRNAs and proteins) is a dynamic event that is constantly changing due to the influence of environmental and physiological conditions. Exclusive monitoring of the transcriptomes can be carried out using high-throughput cDNA microarray analysis,15-17 however the measured mRNA levels do not necessarily correlate strongly with the corresponding abundances of proteins,18-20 The actual amount of functional proteins can be altered significantly and become independent of mRNA levels as a result of post-translational modifications (PTMs),21 alternative splicing,22,23 and protein turnover.24,25 Moreover, the functions of expressed
Accurate Development of Thermal Neutron Scattering Cross Section Libraries
Hawari, Ayman; Dunn, Michael
2014-06-10
The objective of this project is to develop a holistic (fundamental and accurate) approach for generating thermal neutron scattering cross section libraries for a collection of important enutron moderators and reflectors. The primary components of this approach are the physcial accuracy and completeness of the generated data libraries. Consequently, for the first time, thermal neutron scattering cross section data libraries will be generated that are based on accurate theoretical models, that are carefully benchmarked against experimental and computational data, and that contain complete covariance information that can be used in propagating the data uncertainties through the various components of the nuclear design and execution process. To achieve this objective, computational and experimental investigations will be performed on a carefully selected subset of materials that play a key role in all stages of the nuclear fuel cycle.
Accurate strain measurements in highly strained Ge microbridges
NASA Astrophysics Data System (ADS)
Gassenq, A.; Tardif, S.; Guilloy, K.; Osvaldo Dias, G.; Pauc, N.; Duchemin, I.; Rouchon, D.; Hartmann, J.-M.; Widiez, J.; Escalante, J.; Niquet, Y.-M.; Geiger, R.; Zabel, T.; Sigg, H.; Faist, J.; Chelnokov, A.; Rieutord, F.; Reboud, V.; Calvo, V.
2016-06-01
Ge under high strain is predicted to become a direct bandgap semiconductor. Very large deformations can be introduced using microbridge devices. However, at the microscale, strain values are commonly deduced from Raman spectroscopy using empirical linear models only established up to ɛ100 = 1.2% for uniaxial stress. In this work, we calibrate the Raman-strain relation at higher strain using synchrotron based microdiffraction. The Ge microbridges show unprecedented high tensile strain up to 4.9% corresponding to an unexpected Δω = 9.9 cm-1 Raman shift. We demonstrate experimentally and theoretically that the Raman strain relation is not linear and we provide a more accurate expression.
The utility of accurate mass and LC elution time information in the analysis of complex proteomes
Norbeck, Angela D.; Monroe, Matthew E.; Adkins, Joshua N.; Anderson, Kevin K.; Daly, Don S.; Smith, Richard D.
2005-08-01
Theoretical tryptic digests of all predicted proteins from the genomes of three organisms of varying complexity were evaluated for specificity and possible utility of combined peptide accurate mass and predicted LC normalized elution time (NET) information. The uniqueness of each peptide was evaluated using its combined mass (+/- 5 ppm and 1 ppm) and NET value (no constraint, +/- 0.05 and 0.01 on a 0-1 NET scale). The set of peptides both underestimates actual biological complexity due to the lack of specific modifications, and overestimates the expected complexity since many proteins will not be present in the sample or observable on the mass spectrometer because of dynamic range limitations. Once a peptide is identified from an LCMS/MS experiment, its mass and elution time is representative of a unique fingerprint for that peptide. The uniqueness of that fingerprint in comparison to that for the other peptides present is indicative of the ability to confidently identify that peptide based on accurate mass and NET measurements. These measurements can be made using HPLC coupled with high resolution MS in a high-throughput manner. Results show that for organisms with comparatively small proteomes, such as Deinococcus radiodurans, modest mass and elution time accuracies are generally adequate for peptide identifications. For more complex proteomes, increasingly accurate easurements are required. However, the majority of proteins should be uniquely identifiable by using LC-MS with mass accuracies within +/- 1 ppm and elution time easurements within +/- 0.01 NET.
Theoretical design of lightning panel
NASA Astrophysics Data System (ADS)
Emetere, M. E.; Olawole, O. F.; Sanni, S. E.
2016-02-01
The light trapping device (LTD) was theoretically designed to suggests the best way of harvesting the energy derived from natural lightning. The Maxwell's equation was expanded using a virtual experimentation via a MATLAB environment. Several parameters like lightning flash and temperature distribution were consider to investigate the ability of the theoretical lightning panel to convert electricity efficiently. The results of the lighting strike angle on the surface of the LTD shows the maximum power expected per time. The results of the microscopic thermal distribution shows that if the LTD casing controls the transmission of the heat energy, then the thermal energy storage (TES) can be introduced to the lightning farm.
The importance of accurate atmospheric modeling
NASA Astrophysics Data System (ADS)
Payne, Dylan; Schroeder, John; Liang, Pang
2014-11-01
This paper will focus on the effect of atmospheric conditions on EO sensor performance using computer models. We have shown the importance of accurately modeling atmospheric effects for predicting the performance of an EO sensor. A simple example will demonstrated how real conditions for several sites in China will significantly impact on image correction, hyperspectral imaging, and remote sensing. The current state-of-the-art model for computing atmospheric transmission and radiance is, MODTRAN® 5, developed by the US Air Force Research Laboratory and Spectral Science, Inc. Research by the US Air Force, Navy and Army resulted in the public release of LOWTRAN 2 in the early 1970's. Subsequent releases of LOWTRAN and MODTRAN® have continued until the present. Please verify that (1) all pages are present, (2) all figures are correct, (3) all fonts and special characters are correct, and (4) all text and figures fit within the red margin lines shown on this review document. Complete formatting information is available at http://SPIE.org/manuscripts Return to the Manage Active Submissions page at http://spie.org/submissions/tasks.aspx and approve or disapprove this submission. Your manuscript will not be published without this approval. Please contact author_help@spie.org with any questions or concerns. The paper will demonstrate the importance of using validated models and local measured meteorological, atmospheric and aerosol conditions to accurately simulate the atmospheric transmission and radiance. Frequently default conditions are used which can produce errors of as much as 75% in these values. This can have significant impact on remote sensing applications.
Accurate Weather Forecasting for Radio Astronomy
NASA Astrophysics Data System (ADS)
Maddalena, Ronald J.
2010-01-01
The NRAO Green Bank Telescope routinely observes at wavelengths from 3 mm to 1 m. As with all mm-wave telescopes, observing conditions depend upon the variable atmospheric water content. The site provides over 100 days/yr when opacities are low enough for good observing at 3 mm, but winds on the open-air structure reduce the time suitable for 3-mm observing where pointing is critical. Thus, to maximum productivity the observing wavelength needs to match weather conditions. For 6 years the telescope has used a dynamic scheduling system (recently upgraded; www.gb.nrao.edu/DSS) that requires accurate multi-day forecasts for winds and opacities. Since opacity forecasts are not provided by the National Weather Services (NWS), I have developed an automated system that takes available forecasts, derives forecasted opacities, and deploys the results on the web in user-friendly graphical overviews (www.gb.nrao.edu/ rmaddale/Weather). The system relies on the "North American Mesoscale" models, which are updated by the NWS every 6 hrs, have a 12 km horizontal resolution, 1 hr temporal resolution, run to 84 hrs, and have 60 vertical layers that extend to 20 km. Each forecast consists of a time series of ground conditions, cloud coverage, etc, and, most importantly, temperature, pressure, humidity as a function of height. I use the Liebe's MWP model (Radio Science, 20, 1069, 1985) to determine the absorption in each layer for each hour for 30 observing wavelengths. Radiative transfer provides, for each hour and wavelength, the total opacity and the radio brightness of the atmosphere, which contributes substantially at some wavelengths to Tsys and the observational noise. Comparisons of measured and forecasted Tsys at 22.2 and 44 GHz imply that the forecasted opacities are good to about 0.01 Nepers, which is sufficient for forecasting and accurate calibration. Reliability is high out to 2 days and degrades slowly for longer-range forecasts.
NASA Astrophysics Data System (ADS)
Lasemi, Ali; Xue, Deyi; Gu, Peihua
2016-05-01
Five-axis CNC machine tools are widely used in manufacturing of parts with free-form surfaces. Geometric errors of machine tools have significant effects on the quality of manufactured parts. This research focuses on development of a new method to accurately identify geometric errors of 5-axis CNC machines, especially the errors due to rotary axes, using the magnetic double ball bar. A theoretical model for identification of geometric errors is provided. In this model, both position-independent errors and position-dependent errors are considered as the error sources. This model is simplified by identification and removal of the correlated and insignificant error sources of the machine. Insignificant error sources are identified using the sensitivity analysis technique. Simulation results reveal that the simplified error identification model can result in more accurate estimations of the error parameters. Experiments on a 5-axis CNC machine tool also demonstrate significant reduction in the volumetric error after error compensation.
Spectroscopically Accurate Line Lists for Application in Sulphur Chemistry
NASA Astrophysics Data System (ADS)
Underwood, D. S.; Azzam, A. A. A.; Yurchenko, S. N.; Tennyson, J.
2013-09-01
Monitoring sulphur chemistry is thought to be of great importance for exoplanets. Doing this requires detailed knowledge of the spectroscopic properties of sulphur containing molecules such as hydrogen sulphide (H2S) [1], sulphur dioxide (SO2), and sulphur trioxide (SO3). Each of these molecules can be found in terrestrial environments, produced in volcano emissions on Earth, and analysis of their spectroscopic data can prove useful to the characterisation of exoplanets, as well as the study of planets in our own solar system, with both having a possible presence on Venus. A complete, high temperature list of line positions and intensities for H32 2 S is presented. The DVR3D program suite is used to calculate the bound ro-vibration energy levels, wavefunctions, and dipole transition intensities using Radau coordinates. The calculations are based on a newly determined, spectroscopically refined potential energy surface (PES) and a new, high accuracy, ab initio dipole moment surface (DMS). Tests show that the PES enables us to calculate the line positions accurately and the DMS gives satisfactory results for line intensities. Comparisons with experiment as well as with previous theoretical spectra will be presented. The results of this study will form an important addition to the databases which are considered as sources of information for space applications; especially, in analysing the spectra of extrasolar planets, and remote sensing studies for Venus and Earth, as well as laboratory investigations and pollution studies. An ab initio line list for SO3 was previously computed using the variational nuclear motion program TROVE [2], and was suitable for modelling room temperature SO3 spectra. The calculations considered transitions in the region of 0-4000 cm-1 with rotational states up to J = 85, and includes 174,674,257 transitions. A list of 10,878 experimental transitions had relative intensities placed on an absolute scale, and were provided in a form suitable
Consisitent and Accurate Finite Volume Methods for Coupled Flow and Geomechanics
NASA Astrophysics Data System (ADS)
Nordbotten, J. M.
2014-12-01
We introduce a new class of cell-centered finite volume methods for elasticity and poro-elasticity. As compared to lowest-order finite element discretizations, the new discretization has no additional degrees of freedom, and yet gives more accurate stress and flow fields. This finite volume discretization methods has furthermore the advantage that the mechanical discretization is fully compatible (in terms of grid and variables) with the standard cell-centered finite volume discretizations that are prevailing for commercial simulation of multi-phase flows in porous media. Theoretical analysis proves the convergence of the method. We give results showing that so-called numerical locking is avoided for a large class of structured and unstructured grids. The results are valid in both two and three spatial dimensions. The talk concludes with applications to problems with coupled multi-phase flow, transport and deformation, together with fractured porous media.
Fast and Accurate Exhaled Breath Ammonia Measurement
Solga, Steven F.; Mudalel, Matthew L.; Spacek, Lisa A.; Risby, Terence H.
2014-01-01
This exhaled breath ammonia method uses a fast and highly sensitive spectroscopic method known as quartz enhanced photoacoustic spectroscopy (QEPAS) that uses a quantum cascade based laser. The monitor is coupled to a sampler that measures mouth pressure and carbon dioxide. The system is temperature controlled and specifically designed to address the reactivity of this compound. The sampler provides immediate feedback to the subject and the technician on the quality of the breath effort. Together with the quick response time of the monitor, this system is capable of accurately measuring exhaled breath ammonia representative of deep lung systemic levels. Because the system is easy to use and produces real time results, it has enabled experiments to identify factors that influence measurements. For example, mouth rinse and oral pH reproducibly and significantly affect results and therefore must be controlled. Temperature and mode of breathing are other examples. As our understanding of these factors evolves, error is reduced, and clinical studies become more meaningful. This system is very reliable and individual measurements are inexpensive. The sampler is relatively inexpensive and quite portable, but the monitor is neither. This limits options for some clinical studies and provides rational for future innovations. PMID:24962141
An Accurate Temperature Correction Model for Thermocouple Hygrometers 1
Savage, Michael J.; Cass, Alfred; de Jager, James M.
1982-01-01
Numerous water relation studies have used thermocouple hygrometers routinely. However, the accurate temperature correction of hygrometer calibration curve slopes seems to have been largely neglected in both psychrometric and dewpoint techniques. In the case of thermocouple psychrometers, two temperature correction models are proposed, each based on measurement of the thermojunction radius and calculation of the theoretical voltage sensitivity to changes in water potential. The first model relies on calibration at a single temperature and the second at two temperatures. Both these models were more accurate than the temperature correction models currently in use for four psychrometers calibrated over a range of temperatures (15-38°C). The model based on calibration at two temperatures is superior to that based on only one calibration. The model proposed for dewpoint hygrometers is similar to that for psychrometers. It is based on the theoretical voltage sensitivity to changes in water potential. Comparison with empirical data from three dewpoint hygrometers calibrated at four different temperatures indicates that these instruments need only be calibrated at, e.g. 25°C, if the calibration slopes are corrected for temperature. PMID:16662241
An accurate temperature correction model for thermocouple hygrometers.
Savage, M J; Cass, A; de Jager, J M
1982-02-01
Numerous water relation studies have used thermocouple hygrometers routinely. However, the accurate temperature correction of hygrometer calibration curve slopes seems to have been largely neglected in both psychrometric and dewpoint techniques.In the case of thermocouple psychrometers, two temperature correction models are proposed, each based on measurement of the thermojunction radius and calculation of the theoretical voltage sensitivity to changes in water potential. The first model relies on calibration at a single temperature and the second at two temperatures. Both these models were more accurate than the temperature correction models currently in use for four psychrometers calibrated over a range of temperatures (15-38 degrees C). The model based on calibration at two temperatures is superior to that based on only one calibration.The model proposed for dewpoint hygrometers is similar to that for psychrometers. It is based on the theoretical voltage sensitivity to changes in water potential. Comparison with empirical data from three dewpoint hygrometers calibrated at four different temperatures indicates that these instruments need only be calibrated at, e.g. 25 degrees C, if the calibration slopes are corrected for temperature. PMID:16662241
NASA Astrophysics Data System (ADS)
Maloney, James G.; Smith, Glenn S.; Scott, Waymond R., Jr.
1990-07-01
Two antennas are considered, a cylindrical monopole and a conical monopole. Both are driven through an image plane from a coaxial transmission line. Each of these antennas corresponds to a well-posed theoretical electromagnetic boundary value problem and a realizable experimental model. These antennas are analyzed by a straightforward application of the time-domain finite-difference method. The computed results for these antennas are shown to be in excellent agreement with accurate experimental measurements for both the time domain and the frequency domain. The graphical displays presented for the transient near-zone and far-zone radiation from these antennas provide physical insight into the radiation process.
Mill profiler machines soft materials accurately
NASA Technical Reports Server (NTRS)
Rauschl, J. A.
1966-01-01
Mill profiler machines bevels, slots, and grooves in soft materials, such as styrofoam phenolic-filled cores, to any desired thickness. A single operator can accurately control cutting depths in contour or straight line work.
Remote balance weighs accurately amid high radiation
NASA Technical Reports Server (NTRS)
Eggenberger, D. N.; Shuck, A. B.
1969-01-01
Commercial beam-type balance, modified and outfitted with electronic controls and digital readout, can be remotely controlled for use in high radiation environments. This allows accurate weighing of breeder-reactor fuel pieces when they are radioactively hot.
Understanding the Code: keeping accurate records.
Griffith, Richard
2015-10-01
In his continuing series looking at the legal and professional implications of the Nursing and Midwifery Council's revised Code of Conduct, Richard Griffith discusses the elements of accurate record keeping under Standard 10 of the Code. This article considers the importance of accurate record keeping for the safety of patients and protection of district nurses. The legal implications of records are explained along with how district nurses should write records to ensure these legal requirements are met. PMID:26418404
Efficient and accurate computation of generalized singular-value decompositions
NASA Astrophysics Data System (ADS)
Drmac, Zlatko
2001-11-01
We present a new family of algorithms for accurate floating--point computation of the singular value decomposition (SVD) of various forms of products (quotients) of two or three matrices. The main goal of such an algorithm is to compute all singular values to high relative accuracy. This means that we are seeking guaranteed number of accurate digits even in the smallest singular values. We also want to achieve computational efficiency, while maintaining high accuracy. To illustrate, consider the SVD of the product A=BTSC. The new algorithm uses certain preconditioning (based on diagonal scalings, the LU and QR factorizations) to replace A with A'=(B')TS'C', where A and A' have the same singular values and the matrix A' is computed explicitly. Theoretical analysis and numerical evidence show that, in the case of full rank B, C, S, the accuracy of the new algorithm is unaffected by replacing B, S, C with, respectively, D1B, D2SD3, D4C, where Di, i=1,...,4 are arbitrary diagonal matrices. As an application, the paper proposes new accurate algorithms for computing the (H,K)-SVD and (H1,K)-SVD of S.
Fast and Provably Accurate Bilateral Filtering
NASA Astrophysics Data System (ADS)
Chaudhury, Kunal N.; Dabhade, Swapnil D.
2016-06-01
The bilateral filter is a non-linear filter that uses a range filter along with a spatial filter to perform edge-preserving smoothing of images. A direct computation of the bilateral filter requires $O(S)$ operations per pixel, where $S$ is the size of the support of the spatial filter. In this paper, we present a fast and provably accurate algorithm for approximating the bilateral filter when the range kernel is Gaussian. In particular, for box and Gaussian spatial filters, the proposed algorithm can cut down the complexity to $O(1)$ per pixel for any arbitrary $S$. The algorithm has a simple implementation involving $N+1$ spatial filterings, where $N$ is the approximation order. We give a detailed analysis of the filtering accuracy that can be achieved by the proposed approximation in relation to the target bilateral filter. This allows us to to estimate the order $N$ required to obtain a given accuracy. We also present comprehensive numerical results to demonstrate that the proposed algorithm is competitive with state-of-the-art methods in terms of speed and accuracy.
Fast and Provably Accurate Bilateral Filtering.
Chaudhury, Kunal N; Dabhade, Swapnil D
2016-06-01
The bilateral filter is a non-linear filter that uses a range filter along with a spatial filter to perform edge-preserving smoothing of images. A direct computation of the bilateral filter requires O(S) operations per pixel, where S is the size of the support of the spatial filter. In this paper, we present a fast and provably accurate algorithm for approximating the bilateral filter when the range kernel is Gaussian. In particular, for box and Gaussian spatial filters, the proposed algorithm can cut down the complexity to O(1) per pixel for any arbitrary S . The algorithm has a simple implementation involving N+1 spatial filterings, where N is the approximation order. We give a detailed analysis of the filtering accuracy that can be achieved by the proposed approximation in relation to the target bilateral filter. This allows us to estimate the order N required to obtain a given accuracy. We also present comprehensive numerical results to demonstrate that the proposed algorithm is competitive with the state-of-the-art methods in terms of speed and accuracy. PMID:27093722
Sansone, Giuseppe; Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Karttunen, Antti
2016-01-01
The black phosphorus (black-P) crystal is formed of covalently bound layers of phosphorene stacked together by weak van der Waals interactions. An experimental measurement of the exfoliation energy of black-P is not available presently, making theoretical studies the most important source of information for the optimization of phosphorene production. Here, we provide an accurate estimate of the exfoliation energy of black-P on the basis of multilevel quantum chemical calculations, which include the periodic local Møller-Plesset perturbation theory of second order, augmented by higher-order corrections, which are evaluated with finite clusters mimicking the crystal. Very similar results are also obtained by density functional theory with the D3-version of Grimme's empirical dispersion correction. Our estimate of the exfoliation energy for black-P of -151 meV/atom is substantially larger than that of graphite, suggesting the need for different strategies to generate isolated layers for these two systems. PMID:26651397
Theoretical dissociation energies for ionic molecules
NASA Technical Reports Server (NTRS)
Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.
1986-01-01
Ab initio calculations at the self-consistent-field and singles plus doubles configuration-interaction level are used to determine accurate spectroscopic parameters for most of the alkali and alkaline-earth fluorides, chlorides, oxides, sulfides, hydroxides, and isocyanides. Numerical Hartree-Fock (NHF) calculations are performed on selected systems to ensure that the extended Slater basis sets employed for the diatomic systems are near the Hartree-Fock limit. Extended Gaussian basis sets of at least triple-zeta plus double polarization equality are employed for the triatomic system. With this model, correlation effects are relatively small, but invariably increase the theoretical dissociation energies. The importance of correlating the electrons on both the anion and the metal is discussed. The theoretical dissociation energies are critically compared with the literature to rule out disparate experimental values. Theoretical (sup 2)Pi - (sup 2)Sigma (sup +) energy separations are presented for the alkali oxides and sulfides.
Important Nearby Galaxies without Accurate Distances
NASA Astrophysics Data System (ADS)
McQuinn, Kristen
2014-10-01
The Spitzer Infrared Nearby Galaxies Survey (SINGS) and its offspring programs (e.g., THINGS, HERACLES, KINGFISH) have resulted in a fundamental change in our view of star formation and the ISM in galaxies, and together they represent the most complete multi-wavelength data set yet assembled for a large sample of nearby galaxies. These great investments of observing time have been dedicated to the goal of understanding the interstellar medium, the star formation process, and, more generally, galactic evolution at the present epoch. Nearby galaxies provide the basis for which we interpret the distant universe, and the SINGS sample represents the best studied nearby galaxies.Accurate distances are fundamental to interpreting observations of galaxies. Surprisingly, many of the SINGS spiral galaxies have numerous distance estimates resulting in confusion. We can rectify this situation for 8 of the SINGS spiral galaxies within 10 Mpc at a very low cost through measurements of the tip of the red giant branch. The proposed observations will provide an accuracy of better than 0.1 in distance modulus. Our sample includes such well known galaxies as M51 (the Whirlpool), M63 (the Sunflower), M104 (the Sombrero), and M74 (the archetypal grand design spiral).We are also proposing coordinated parallel WFC3 UV observations of the central regions of the galaxies, rich with high-mass UV-bright stars. As a secondary science goal we will compare the resolved UV stellar populations with integrated UV emission measurements used in calibrating star formation rates. Our observations will complement the growing HST UV atlas of high resolution images of nearby galaxies.
Accurate age determinations of several nearby open clusters containing magnetic Ap stars
NASA Astrophysics Data System (ADS)
Silaj, J.; Landstreet, J. D.
2014-06-01
Context. To study the time evolution of magnetic fields, chemical abundance peculiarities, and other characteristics of magnetic Ap and Bp stars during their main sequence lives, a sample of these stars in open clusters has been obtained, as such stars can be assumed to have the same ages as the clusters to which they belong. However, in exploring age determinations in the literature, we find a large dispersion among different age determinations, even for bright, nearby clusters. Aims: Our aim is to obtain ages that are as accurate as possible for the seven nearby open clusters α Per, Coma Ber, IC 2602, NGC 2232, NGC 2451A, NGC 2516, and NGC 6475, each of which contains at least one magnetic Ap or Bp star. Simultaneously, we test the current calibrations of Te and luminosity for the Ap/Bp star members, and identify clearly blue stragglers in the clusters studied. Methods: We explore the possibility that isochrone fitting in the theoretical Hertzsprung-Russell diagram (i.e. log (L/L⊙) vs. log Te), rather than in the conventional colour-magnitude diagram, can provide more precise and accurate cluster ages, with well-defined uncertainties. Results: Well-defined ages are found for all the clusters studied. For the nearby clusters studied, the derived ages are not very sensitive to the small uncertainties in distance, reddening, membership, metallicity, or choice of isochrones. Our age determinations are all within the range of previously determined values, but the associated uncertainties are considerably smaller than the spread in recent age determinations from the literature. Furthermore, examination of proper motions and HR diagrams confirms that the Ap stars identified in these clusters are members, and that the presently accepted temperature scale and bolometric corrections for Ap stars are approximately correct. We show that in these theoretical HR diagrams blue stragglers are particularly easy to identify. Conclusions: Constructing the theoretical HR diagram
Theoretical studies of molecular processes
NASA Astrophysics Data System (ADS)
Cui, Qiang
1997-09-01
The current thesis concerns with theoretical studies of molecular processes and consists of two parts. The first part includes theoretical studies of dynamics of unimolecular and bimolecular reactions, in particular those involving non-adiabatic processes. In chapter 2 and 3, we have presented our studies of detailed mechanisms for the photodissociation of C2H2 and C2H, and the ion-molecule reactions of C2H2+ + CH4 or NH3, respectively. In chapter 4, we have presented our study that extends TST to non-adiabatic reactions, and an application of the theory of the spin-forbidden reaction of CH(2/Pi)+N2. In chapter 5, we have included our analyses on the photodissociation of triplet ketene, where an extensive seam has been found all along the reaction coordinate. Finally, in Chapter 6, we have presented our study on the photodissociation of O3/sp-, which includes qualitative electronic structure calculations and construction of global potential energy functions for coupled electronic states. The second part of the thesis deals with theoretical studies of organometallic reactions, metal clusters, and gas-surface interactions. With theoretical calculations, one can study the reactivities of transition metal compounds systematically, which allows one to understand the key parameters that control the reactivities of those compounds. In chapter 2, we have presented our implementation of analytical hessian for effective core potential, which makes normal mode analysis possible for large organometallic systems and has proven to be very useful in the study of systems containing transition metals. In chapter 3-5, we have included our studies on the detailed mechanisms of several interesting reactions including platinum/palladium(0) catalyzed diboration and thioboration reactions of acetylene and olefin, and H- H/C-H bond activation on small metal clusters Pt/Pdn(n = 1[-]3). For truly large systems such as surfaces or proteins, full quantum mechanical treatments are
Theoretical Thermodynamics of Mixtures at High Pressures
NASA Technical Reports Server (NTRS)
Hubbard, W. B.
1985-01-01
The development of an understanding of the chemistry of mixtures of metallic hydrogen and abundant, higher-z material such as oxygen, carbon, etc., is important for understanding of fundamental processes of energy release, differentiation, and development of atmospheric abundances in the Jovian planets. It provides a significant theoretical base for the interpretation of atmospheric elemental abundances to be provided by atmospheric entry probes in coming years. Significant differences are found when non-perturbative approaches such as Thomas-Fermi-Dirac (TFD) theory are used. Mapping of the phase diagrams of such binary mixtures in the pressure range from approx. 10 Mbar to approx. 1000 Mbar, using results from three-dimensional TFD calculations is undertaken. Derivation of a general and flexible thermodynamic model for such binary mixtures in the relevant pressure range was facilitated by the following breakthrough: there exists an accurate nd fairly simple thermodynamic representation of a liquid two-component plasma (TCP) in which the Helmholtz free energy is represented as a suitable linear combination of terms dependent only on density and terms which depend only on the ion coupling parameter. It is found that the crystal energies of mixtures of H-He, H-C, and H-O can be satisfactorily reproduced by the same type of model, except that an effective, density-dependent ionic charge must be used in place of the actual total ionic charge.
Field theoretic simulations of polymer nanocomposites
Koski, Jason; Chao, Huikuan; Riggleman, Robert A.
2013-12-28
Polymer field theory has emerged as a powerful tool for describing the equilibrium phase behavior of complex polymer formulations, particularly when one is interested in the thermodynamics of dense polymer melts and solutions where the polymer chains can be accurately described using Gaussian models. However, there are many systems of interest where polymer field theory cannot be applied in such a straightforward manner, such as polymer nanocomposites. Current approaches for incorporating nanoparticles have been restricted to the mean-field level and often require approximations where it is unclear how to improve their accuracy. In this paper, we present a unified framework that enables the description of polymer nanocomposites using a field theoretic approach. This method enables straightforward simulations of the fully fluctuating field theory for polymer formulations containing spherical or anisotropic nanoparticles. We demonstrate our approach captures the correlations between particle positions, present results for spherical and cylindrical nanoparticles, and we explore the effect of the numerical parameters on the performance of our approach.
Accurate orbit propagation with planetary close encounters
NASA Astrophysics Data System (ADS)
Baù, Giulio; Milani Comparetti, Andrea; Guerra, Francesca
2015-08-01
We tackle the problem of accurately propagating the motion of those small bodies that undergo close approaches with a planet. The literature is lacking on this topic and the reliability of the numerical results is not sufficiently discussed. The high-frequency components of the perturbation generated by a close encounter makes the propagation particularly challenging both from the point of view of the dynamical stability of the formulation and the numerical stability of the integrator. In our approach a fixed step-size and order multistep integrator is combined with a regularized formulation of the perturbed two-body problem. When the propagated object enters the region of influence of a celestial body, the latter becomes the new primary body of attraction. Moreover, the formulation and the step-size will also be changed if necessary. We present: 1) the restarter procedure applied to the multistep integrator whenever the primary body is changed; 2) new analytical formulae for setting the step-size (given the order of the multistep, formulation and initial osculating orbit) in order to control the accumulation of the local truncation error and guarantee the numerical stability during the propagation; 3) a new definition of the region of influence in the phase space. We test the propagator with some real asteroids subject to the gravitational attraction of the planets, the Yarkovsky and relativistic perturbations. Our goal is to show that the proposed approach improves the performance of both the propagator implemented in the OrbFit software package (which is currently used by the NEODyS service) and of the propagator represented by a variable step-size and order multistep method combined with Cowell's formulation (i.e. direct integration of position and velocity in either the physical or a fictitious time).
A highly accurate interatomic potential for argon
NASA Astrophysics Data System (ADS)
Aziz, Ronald A.
1993-09-01
A modified potential based on the individually damped model of Douketis, Scoles, Marchetti, Zen, and Thakkar [J. Chem. Phys. 76, 3057 (1982)] is presented which fits, within experimental error, the accurate ultraviolet (UV) vibration-rotation spectrum of argon determined by UV laser absorption spectroscopy by Herman, LaRocque, and Stoicheff [J. Chem. Phys. 89, 4535 (1988)]. Other literature potentials fail to do so. The potential also is shown to predict a large number of other properties and is probably the most accurate characterization of the argon interaction constructed to date.
Recent theoretical advances in analysis of AIRS/AMSU sounding data
NASA Astrophysics Data System (ADS)
Susskind, Joel
2007-04-01
The AIRS Science Team Version 5.0 retrieval algorithm will become operational at the Goddard DAAC in early 2007 in the near real-time analysis of AIRS/AMSU sounding data. This algorithm contains many significant theoretical advances over the AIRS Science Team Version 4.0 retrieval algorithm used previously. Three very significant developments are: 1) the development and implementation of a very accurate Radiative Transfer Algorithm (RTA) which allows for accurate treatment of non-Local Thermodynamic Equilibrium (non-LTE) effects on shortwave sounding channels; 2) the development of methodology to obtain very accurate case by case product error estimates which are in turn used for quality control; and 3) development of an accurate AIRS only cloud clearing and retrieval system. These theoretical improvements taken together enabled a new methodology to be developed which further improves soundings in partially cloudy conditions, without the need for microwave observations in the cloud clearing step as has been done previously. In this methodology, longwave CO II channel observations in the spectral region 700 cm -1 to 750 cm -1 are used exclusively for cloud clearing purposes, while shortwave CO II channels in the spectral region 2195 cm -1 to 2395 cm -1 are used for temperature sounding purposes. The new methodology is described briefly and results are shown, including comparison with those using AIRS Version 4, as well as a forecast impact experiment assimilating AIRS Version 5.0 retrieval products in the Goddard GEOS 5 Data Assimilation System.
Potential theoretic methods for far field sound radiation calculations
NASA Technical Reports Server (NTRS)
Hariharan, S. I.; Stenger, Edward J.; Scott, J. R.
1995-01-01
In the area of computational acoustics, procedures which accurately predict the far-field sound radiation are much sought after. A systematic development of such procedures are found in a sequence of papers by Atassi. The method presented here is an alternate approach to predicting far field sound based on simple layer potential theoretic methods. The main advantages of this method are: it requires only a simple free space Green's function, it can accommodate arbitrary shapes of Kirchoff surfaces, and is readily extendable to three-dimensional problems. Moreover, the procedure presented here, though tested for unsteady lifting airfoil problems, can easily be adapted to other areas of interest, such as jet noise radiation problems. Results are presented for lifting airfoil problems and comparisons are made with the results reported by Atassi. Direct comparisons are also made for the flat plate case.
Mechanical properties of jennite: A theoretical and experimental study
Moon, Juhyuk; Yoon, Seyoon; Monteiro, Paulo J.M.
2015-05-15
The objective of this study is to determine the mechanical properties of jennite. To date, several hypotheses have been proposed to predict the structural properties of jennite. For the first time as reported herein, the isothermal bulk modulus of jennite was measured experimentally. Synchrotron-based high-pressure x-ray diffraction experiments were performed to observe the variation of lattice parameters under pressure. First-principles calculations were applied to compare with the experimental results and predict additional structural properties. Accurately measured isothermal bulk modulus herein (K{sub 0} = 64(2) GPa) and the statistical assessment on experimental and theoretical results suggest reliable mechanical properties of shear and Young's modulus, Poisson's ratio, and elastic tensor coefficients. Determination of these fundamental structural properties is the first step toward greater understanding of calcium–silicate–hydrate, as well as provides a sound foundation for forthcoming atomic level simulations.
Nonexposure accurate location K-anonymity algorithm in LBS.
Jia, Jinying; Zhang, Fengli
2014-01-01
This paper tackles location privacy protection in current location-based services (LBS) where mobile users have to report their exact location information to an LBS provider in order to obtain their desired services. Location cloaking has been proposed and well studied to protect user privacy. It blurs the user's accurate coordinate and replaces it with a well-shaped cloaked region. However, to obtain such an anonymous spatial region (ASR), nearly all existent cloaking algorithms require knowing the accurate locations of all users. Therefore, location cloaking without exposing the user's accurate location to any party is urgently needed. In this paper, we present such two nonexposure accurate location cloaking algorithms. They are designed for K-anonymity, and cloaking is performed based on the identifications (IDs) of the grid areas which were reported by all the users, instead of directly on their accurate coordinates. Experimental results show that our algorithms are more secure than the existent cloaking algorithms, need not have all the users reporting their locations all the time, and can generate smaller ASR. PMID:24605060
Nonexposure Accurate Location K-Anonymity Algorithm in LBS
2014-01-01
This paper tackles location privacy protection in current location-based services (LBS) where mobile users have to report their exact location information to an LBS provider in order to obtain their desired services. Location cloaking has been proposed and well studied to protect user privacy. It blurs the user's accurate coordinate and replaces it with a well-shaped cloaked region. However, to obtain such an anonymous spatial region (ASR), nearly all existent cloaking algorithms require knowing the accurate locations of all users. Therefore, location cloaking without exposing the user's accurate location to any party is urgently needed. In this paper, we present such two nonexposure accurate location cloaking algorithms. They are designed for K-anonymity, and cloaking is performed based on the identifications (IDs) of the grid areas which were reported by all the users, instead of directly on their accurate coordinates. Experimental results show that our algorithms are more secure than the existent cloaking algorithms, need not have all the users reporting their locations all the time, and can generate smaller ASR. PMID:24605060
Accurate upwind-monotone (nonoscillatory) methods for conservation laws
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1992-01-01
The well known MUSCL scheme of Van Leer is constructed using a piecewise linear approximation. The MUSCL scheme is second order accurate at the smooth part of the solution except at extrema where the accuracy degenerates to first order due to the monotonicity constraint. To construct accurate schemes which are free from oscillations, the author introduces the concept of upwind monotonicity. Several classes of schemes, which are upwind monotone and of uniform second or third order accuracy are then presented. Results for advection with constant speed are shown. It is also shown that the new scheme compares favorably with state of the art methods.
ERIC Educational Resources Information Center
LoPresto, Michael C.
2014-01-01
What follows is a description of a theoretical model designed to calculate the playing frequencies of the musical pitches produced by a trombone. The model is based on quantitative treatments that demonstrate the effects of the flaring bell and cup-shaped mouthpiece sections on these frequencies and can be used to calculate frequencies that…
Accurate pointing of tungsten welding electrodes
NASA Technical Reports Server (NTRS)
Ziegelmeier, P.
1971-01-01
Thoriated-tungsten is pointed accurately and quickly by using sodium nitrite. Point produced is smooth and no effort is necessary to hold the tungsten rod concentric. The chemically produced point can be used several times longer than ground points. This method reduces time and cost of preparing tungsten electrodes.