The Synthesis of Proteins-A Simple Experiment To Show the Procedures and Problems of Using Radioisotopes in Biochemical Studies

NASA Astrophysics Data System (ADS)

Hawcroft, David M.

1996-11-01

Courses of organic chemistry frequently include studies of biochemistry and hence of biochemical techniques. Radioisotopes have played a major role in the understanding of metabolic pathways, transport, enzyme activity and other processes. The experiment described in this paper uses simple techniques to illustrate the procedures involved in working with radioisotopes when following a simplified metabolic pathway. Safety considerations are discussed and a list of safety rules is provided, but the experiment itself uses very low levels of a weak beta-emitting isotope (tritium). Plant material is suggested to reduce legal, financial and emotive problems, but the techniques are applicable to all soft-tissued material. The problems involved in data interpretation in radioisotope experiments resulting from radiation quenching are resolved by simple correction calculations, and the merits of using radioisotopes shown by a calculation of the low mass of material being measured. Suggestions for further experiments are given.

Molecular frame photoelectron angular distributions for core ionization of ethane, carbon tetrafluoride and 1,1-difluoroethylene

DOE PAGES

Menssen, A.; Trevisan, C. S.; Schöffler, M. S.; ...

2016-02-15

Molecular frame photoelectron angular distributions (MFPADs) are measured in this paper in electron–ion momentum imaging experiments and compared with complex Kohn variational calculations for carbon K-shell ionization of carbon tetrafluoride (CF 4), ethane (C 2H 6) and 1,1-difluoroethylene (C 2H 2F 2). While in ethane the polarization averaged MFPADs show a tendency at low energies for the photoelectron to be emitted in the directions of the bonds, the opposite effect is seen in CF 4. A combination of these behaviors is seen in difluoroethylene where ionization from the two carbons can be distinguished experimentally because of their different K-shell ionizationmore » potentials. Excellent agreement is found between experiment and simple static-exchange or coupled two-channel theoretical calculations. Finally, however, simple electrostatics do not provide an adequate explanation of the suggestively simple angular distributions at low electron ejection energies.« less

5 CFR 1315.17 - Formulas.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Daily simple interest formula. (1) To calculate daily simple interest the following formula may be used... a payment is due on April 1 and the payment is not made until April 11, a simple interest... equation calculates simple interest on any additional days beyond a monthly increment. (3) For example, if...

The Estimation of Tree Posterior Probabilities Using Conditional Clade Probability Distributions

PubMed Central

Larget, Bret

2013-01-01

In this article I introduce the idea of conditional independence of separated subtrees as a principle by which to estimate the posterior probability of trees using conditional clade probability distributions rather than simple sample relative frequencies. I describe an algorithm for these calculations and software which implements these ideas. I show that these alternative calculations are very similar to simple sample relative frequencies for high probability trees but are substantially more accurate for relatively low probability trees. The method allows the posterior probability of unsampled trees to be calculated when these trees contain only clades that are in other sampled trees. Furthermore, the method can be used to estimate the total probability of the set of sampled trees which provides a measure of the thoroughness of a posterior sample. [Bayesian phylogenetics; conditional clade distributions; improved accuracy; posterior probabilities of trees.] PMID:23479066

Simple and universal model for electron-impact ionization of complex biomolecules

NASA Astrophysics Data System (ADS)

Tan, Hong Qi; Mi, Zhaohong; Bettiol, Andrew A.

2018-03-01

We present a simple and universal approach to calculate the total ionization cross section (TICS) for electron impact ionization in DNA bases and other biomaterials in the condensed phase. Evaluating the electron impact TICS plays a vital role in ion-beam radiobiology simulation at the cellular level, as secondary electrons are the main cause of DNA damage in particle cancer therapy. Our method is based on extending the dielectric formalism. The calculated results agree well with experimental data and show a good comparison with other theoretical calculations. This method only requires information of the chemical composition and density and an estimate of the mean binding energy to produce reasonably accurate TICS of complex biomolecules. Because of its simplicity and great predictive effectiveness, this method could be helpful in situations where the experimental TICS data are absent or scarce, such as in particle cancer therapy.

Accurate simulation of backscattering spectra in the presence of sharp resonances

NASA Astrophysics Data System (ADS)

Barradas, N. P.; Alves, E.; Jeynes, C.; Tosaki, M.

2006-06-01

In elastic backscattering spectrometry, the shape of the observed spectrum due to resonances in the nuclear scattering cross-section is influenced by many factors. If the energy spread of the beam before interaction is larger than the resonance width, then a simple convolution with the energy spread on exit and with the detection system resolution will lead to a calculated spectrum with a resonance much sharper than the observed signal. Also, the yield from a thin layer will not be calculated accurately. We have developed an algorithm for the accurate simulation of backscattering spectra in the presence of sharp resonances. Albeit approximate, the algorithm leads to dramatic improvements in the quality and accuracy of the simulations. It is simple to implement and leads to only small increases of the calculation time, being thus suitable for routine data analysis. We show different experimental examples, including samples with roughness and porosity.

Periodicity of microfilariae of human filariasis analysed by a trigonometric method (Aikat and Das).

PubMed

Tanaka, H

1981-04-01

The microfilarial periodicity of human filariae was characterized statistically by fitting the observed change of microfilaria (mf) counts to the formula of a simple harmonic wave using two parameters, the peak hour (K) and periodicity index (D) (Sasa & Tanaka, 1972, 1974). Later Aikat and Das (1976) proposed a simple calculation method using trigonometry (A-D method) to determine the peak hour (K) and periodicity index (P). All data of microfilarial periodicity analysed previously by the method of Sasa and Tanaka (S-T method) were calculated again by the A-D method in the present study to evaluate the latter method. The results of calculations showed that P was not proportional to D and the ratios of P/D were mostly smaller than expected, especially when P or D was small in less periodic forms. The peak hour calculated by the A-D method did not differ much from that calculated by the S-T method. Goodness of fit was improved slightly by the A-K method in two thirds of analysed data. The classification of human filariae in respect of the type of periodicity was, however, changed little by the results calculated by the A-D method.

Modeling of air pollution from the power plant ash dumps

NASA Astrophysics Data System (ADS)

Aleksic, Nenad M.; Balać, Nedeljko

A simple model of air pollution from power plant ash dumps is presented, with emission rates calculated from the Bagnold formula and transport simulated by the ATDL type model. Moisture effects are accounted for by assumption that there is no pollution on rain days. Annual mean daily sedimentation rates, calculated for the area around the 'Nikola Tesla' power plants near Belgrade for 1987, show reasonably good agreement with observations.

Levelized Cost of Energy Calculator | Energy Analysis | NREL

Science.gov Websites

Levelized Cost of Energy Calculator Levelized Cost of Energy Calculator Transparent Cost Database Button The levelized cost of energy (LCOE) calculator provides a simple calculator for both utility-scale need to be included for a thorough analysis. To estimate simple cost of energy, use the slider controls

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

PubMed

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Correlation of heat transfer coefficient in quenching process using ABAQUS

NASA Astrophysics Data System (ADS)

Davare, Sandeep Kedarnath; Balachandran, G.; Singh, R. K. P.

2018-04-01

During the heat treatment by quenching in a liquid medium the convective heat transfer coefficient plays a crucial role in the extraction of heat. The heat extraction ultimately influences the cooling rate and hence the hardness and mechanical properties. A Finite Element analysis of quenching a simple flat copper sample with different orientation of sample and with different quenchant temperatures were carried out to check and verify the results obtained from the experiments. The heat transfer coefficient (HTC) was calculated from temperature history in a simple flat copper disc sample experimentally. This HTC data was further used as input to simulation software and the cooling curves were back calculated. The results obtained from software and using experimentation shows nearly consistent values.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

NASA Astrophysics Data System (ADS)

Papior, Nick R.; Calogero, Gaetano; Brandbyge, Mads

2018-06-01

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C60). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Elastic and viscoelastic model of the stress history of sedimentary rocks

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

Warpinski, N.R.

A model has been developed to calculate the elastic and viscoelastic stresses which develop in rocks at depth due to burial, uplift and diagenesis. This model includes the effect of the overburden load, tectonic or geometric strains, thermal strains, varying material properties, pore pressure variations, and viscoeleastic relaxation. Calculations for some simple examples are given to show the contributions of the individual stress components due to gravity, tectonics, thermal effects and pore pressure. A complete stress history for Mesaverde rocks in the Piceance basin is calculated based on available burial history, thermal history and expected pore pressure, material property andmore » tectonic strain variations through time. These calculations show the importance of including material property changes and viscoelastic effects. 15 refs., 48 figs.« less

Structural Reliability and Monte Carlo Simulation.

ERIC Educational Resources Information Center

Laumakis, P. J.; Harlow, G.

2002-01-01

Analyzes a simple boom structure and assesses its reliability using elementary engineering mechanics. Demonstrates the power and utility of Monte-Carlo simulation by showing that such a simulation can be implemented more readily with results that compare favorably to the theoretical calculations. (Author/MM)

Evaluating and Improving the SAMA (Segmentation Analysis and Market Assessment) Recruiting Model

DTIC Science & Technology

2015-06-01

and rewarding me with your love every day. xx THIS PAGE INTENTIONALLY LEFT BLANK 1 I. INTRODUCTION A. THE UNITED STATES ARMY RECRUITING...the relationship between the calculated SAMA potential and the actual 2014 performance. The scatterplot in Figure 8 shows a strong linear... relationship between the SAMA calculated potential and the contracting achievement for 2014, with an R-squared value of 0.871. Simple Linear Regression of

A geometrical interpretation of the 2n-th central difference

NASA Technical Reports Server (NTRS)

Tapia, R. A.

1972-01-01

Many algorithms used for data smoothing, data classification and error detection require the calculation of the distance from a point to the polynomial interpolating its 2n neighbors (n on each side). This computation, if performed naively, would require the solution of a system of equations and could create numerical problems. This note shows that if the data is equally spaced, then this calculation can be performed using a simple recursion formula.

A comparison of three algebraic stress closures for combustor flow calculations

NASA Technical Reports Server (NTRS)

Nikjooy, M.; So, R. M. C.; Hwang, B. C.

1985-01-01

A comparison is made of the performance of two locally nonequilibrium and one equilibrium algebraic stress closures in calculating combustor flows. Effects of four different pressure-strain models on these closure models are also analyzed. The results show that the pressure-strain models have a much greater influence on the calculated mean velocity and turbulence field than the algebraic stress closures, and that the best mean strain model for the pressure-strain terms is that proposed by Launder, Reece and Rodi (1975). However, the equilibrium algebraic stress closure with the Rotta return-to-isotropy model (1951) for the pressure-strain terms gives as good a correlation with measurements as when the Launder et al. mean strain model is included in the pressure-strain model. Finally, comparison of the calculations with the standard k-epsilon closure results show that the algebraic stress closures are better suited for simple turbulent flow calculations.

Stokes-Einstein relation for pure simple fluids.

PubMed

Cappelezzo, M; Capellari, C A; Pezzin, S H; Coelho, L A F

2007-06-14

The authors employed the equilibrium molecular dynamics technique to calculate the self-diffusion coefficient and the shear viscosity for simple fluids that obey the Lennard-Jones 6-12 potential in order to investigate the validity of the Stokes-Einstein (SE) relation for pure simple fluids. They performed calculations in a broad range of density and temperature in order to test the SE relation. The main goal of this work is to exactly calculate the constant, here denominated by alpha, present in the SE relation. Also, a modified SE relation where a fluid density is raised to a power in the usual expression is compared to the classical expression. According to the authors' simulations slip boundary conditions (alpha=4) can be satisfied in some state points. An intermediate value of alpha=5 was found in some regions of the phase diagram confirming the mode coupling theory. In addition depending on the phase diagram point and the definition of hydrodynamics radius, stick boundary condition (alpha=6) can be reproduced. The authors investigated the role of the hydrodynamic radius in the SE relation using three different definitions. The authors also present calculations for alpha in a hard-sphere system showing that the slip boundary conditions hold at very high density. They discuss possible explanations for their results and the role of the hydrodynamic radius for different definitions in the SE relation.

Boundary condition computational procedures for inviscid, supersonic steady flow field calculations

NASA Technical Reports Server (NTRS)

Abbett, M. J.

1971-01-01

Results are given of a comparative study of numerical procedures for computing solid wall boundary points in supersonic inviscid flow calculatons. Twenty five different calculation procedures were tested on two sample problems: a simple expansion wave and a simple compression (two-dimensional steady flow). A simple calculation procedure was developed. The merits and shortcomings of the various procedures are discussed, along with complications for three-dimensional and time-dependent flows.

Improving the treatment of coarse-grain electrostatics: CVCEL.

PubMed

Ceres, N; Lavery, R

2015-12-28

We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

75 FR 57719 - Federal Acquisition Regulation; TINA Interest Calculations

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-22

... the term ``simple interest'' as the requirement for calculating interest for TINA cost impacts with.... Revising the date of the clause; and b. Removing from paragraph (e)(1) ``Simple interest'' and adding...) ``Simple interest'' and adding ``Interest compounded daily, as required by 26 U.S.C. 6622,'' in its place...

Apparatus for Teaching Physics.

ERIC Educational Resources Information Center

Minnix, Richard B.; Carpenter, D. Rae, Jr.

1983-01-01

Describes a simple apparatus and provides instructions to do relative index of refraction measurements/calculations and to show mathematical relationships betwen indices when light travels from one liquid to another. A listing of a computer program (in BASIC) which will analyze data is available from the author. (JM)

The optical and structural properties of graphene nanosheets and tin oxide nanocrystals composite

NASA Astrophysics Data System (ADS)

Farheen, Parveen, Azra; Azam, Ameer

2018-05-01

A nanocomposite material consisting of metal oxide and reduced graphene oxide was prepared via simple, economic, and effective chemical reduction method. The synthesis strategy was based on the reduction of GO with Sn2+ ion that combines tin oxidation and GO reduction in one step, which provides a simple, low-cost and effective way to prepare graphene nanosheets/SnO2 nanocrystals composites because no additional chemicals were needed. SEM and TEM images shows the uniform distribution of the SnO2 nanocrystals on the Graphene nanosheets (GNs) surface and transmission electron microscope shows an average particle size of 2-4 nm. The mean crystallite size was calculated by Debye Scherrer formula and was found to be about 4.0 nm. Optical analysis was done by using UV-Visible spectroscopy technique and the band gap energy of the GNs/SnO2 nanocomposite was calculated by Tauc relation and came out to be 3.43eV.

Revival of the Jumping Disc

ERIC Educational Resources Information Center

Ucke, C.; Schlichting, H-J.

2009-01-01

Snap discs made of bimetal have many technical applications as thermostats. Jumping discs are a toy version of such snap discs. Besides giving technical information, we describe physical investigations. We show especially how, through simple measurements and calculations, you can determine the initial speed ([approximately equal to]3.5 m…

Wronskian Method for Bound States

ERIC Educational Resources Information Center

Fernandez, Francisco M.

2011-01-01

We propose a simple and straightforward method based on Wronskians for the calculation of bound-state energies and wavefunctions of one-dimensional quantum-mechanical problems. We explicitly discuss the asymptotic behaviour of the wavefunction and show that the allowed energies make the divergent part vanish. As illustrative examples we consider…

Space Science 2001: Some Problems with Artificial Gravity.

ERIC Educational Resources Information Center

Fisher, Nick

2001-01-01

Many pupils will be familiar with the ideas in "2001: A Space Odyssey" but few will have considered the physics involved. Simple calculations show that some of the effects depicted in the Space Station and on the Discovery are plausible but others would be impractical. (Author/ASK)

Gradient-induced Longitudinal Relaxation of Hyperpolarized Noble Gases in the Fringe Fields of Superconducting Magnets Used for Magnetic Resonance

PubMed Central

Zheng, Wangzhi; Cleveland, Zackary I.; Möller, Harald E.; Driehuys, Bastiaan

2010-01-01

When hyperpolarized noble gases are brought into the bore of a superconducting magnet for magnetic resonance imaging (MRI) or spectroscopy studies, the gases must pass through substantial field gradients, which can cause rapid longitudinal relaxation. In this communication, we present a means of calculating this spatially dependent relaxation rate in the fringe field of typical magnets. We then compare these predictions to experimental measurements of 3He relaxation at various positions near a medium-bore 2-T small animal MRI system. The calculated and measured relaxation rates on the central axis of the magnet agree well and show a maximum 3He relaxation rate of 3.83 × 10−3 s−1 (T1 = 4.4 min) at a distance of 47 cm from the magnet isocenter. We also show that if this magnet were self-shielded, its minimum T1 would drop to 1.2 min. In contrast, a typical self-shielded 1.5-T clinical MRI scanner will induce a minimum on-axis T1 of 12 min. Additionally, we show that the cylindrically symmetric fields of these magnets enable gradient-induced relaxation to be calculated using only knowledge of the on-axis longitudinal field, which can either be measured directly or calculated from a simple field model. Thus, while most MRI magnets employ complex and proprietary current configurations, we show that their fringe fields and the resulting gradient induced relaxation are well approximated by simple solenoid models. Finally, our modeling also demonstrates that relaxation rates can increase by nearly an order of magnitude at radial distances equivalent to the solenoid radius. PMID:21134771

Gradient-induced longitudinal relaxation of hyperpolarized noble gases in the fringe fields of superconducting magnets used for magnetic resonance.

PubMed

Zheng, Wangzhi; Cleveland, Zackary I; Möller, Harald E; Driehuys, Bastiaan

2011-02-01

When hyperpolarized noble gases are brought into the bore of a superconducting magnet for magnetic resonance imaging (MRI) or spectroscopy studies, the gases must pass through substantial field gradients, which can cause rapid longitudinal relaxation. In this communication, we present a means of calculating this spatially dependent relaxation rate in the fringe field of typical magnets. We then compare these predictions to experimental measurements of (3)He relaxation at various positions near a medium-bore 2-T small animal MRI system. The calculated and measured relaxation rates on the central axis of the magnet agree well and show a maximum (3)He relaxation rate of 3.83×10(-3) s(-1) (T(1)=4.4 min) at a distance of 47 cm from the magnet isocenter. We also show that if this magnet were self-shielded, its minimum T(1) would drop to 1.2 min. In contrast, a typical self-shielded 1.5-T clinical MRI scanner will induce a minimum on-axis T(1) of 12 min. Additionally, we show that the cylindrically symmetric fields of these magnets enable gradient-induced relaxation to be calculated using only knowledge of the on-axis longitudinal field, which can either be measured directly or calculated from a simple field model. Thus, while most MRI magnets employ complex and proprietary current configurations, we show that their fringe fields and the resulting gradient-induced relaxation are well approximated by simple solenoid models. Finally, our modeling also demonstrates that relaxation rates can increase by nearly an order of magnitude at radial distances equivalent to the solenoid radius. Copyright © 2010 Elsevier Inc. All rights reserved.

Calculation of Hugoniot properties for shocked nitromethane based on the improved Tsien's EOS

NASA Astrophysics Data System (ADS)

Zhao, Bo; Cui, Ji-Ping; Fan, Jing

2010-06-01

We have calculated the Hugoniot properties of shocked nitromethane based on the improved Tsien’s equation of state (EOS) that optimized by “exact” numerical molecular dynamic data at high temperatures and pressures. Comparison of the calculated results of the improved Tsien’s EOS with the existed experimental data and the direct simulations show that the behavior of the improved Tsien’s EOS is very good in many aspects. Because of its simple analytical form, the improved Tsien’s EOS can be prospectively used to study the condensed explosive detonation coupling with chemical reaction.

Electronegativity effects and single covalent bond lengths of molecules in the gas phase.

PubMed

Lang, Peter F; Smith, Barry C

2014-06-07

This paper discusses in detail the calculation of internuclear distances of heteronuclear single bond covalent molecules in the gaseous state. It reviews briefly the effect of electronegativity in covalent bond length. A set of single bond covalent radii and electronegativity values are proposed. Covalent bond lengths calculated by an adapted form of a simple expression (which calculated internuclear separation of different Group 1 and Group 2 crystalline salts to a remarkable degree of accuracy) show very good agreement with observed values. A small number of bond lengths with double bonds as well as bond lengths in the crystalline state are calculated using the same expression and when compared with observed values also give good agreement. This work shows that covalent radii are not additive and that radii in the crystalline state are different from those in the gaseous state. The results also show that electronegativity is a major influence on covalent bond lengths and the set of electronegativity scale and covalent radii proposed in this work can be used to calculate covalent bond lengths in different environments that have not yet been experimentally measured.

Risk and Returns to Education. NBER Working Paper No. 18300

ERIC Educational Resources Information Center

Brown, Jeffrey; Fang, Chichun; Gomes, Francisco

2012-01-01

We analyze the returns to education in a life-cycle framework that incorporates risk preferences, earnings volatility (including unemployment), and a progressive income tax and social insurance system. We show that such a framework significantly reduces the measured gains from education relative to simple present-value calculations, although the…

Novel method of vulnerability assessment of simple landfills area using the multimedia, multipathway and multireceptor risk assessment (3MRA) model, China.

PubMed

Yuan, Ying; He, Xiao-Song; Xi, Bei-Dou; Wei, Zi-Min; Tan, Wen-Bing; Gao, Ru-Tai

2016-11-01

Vulnerability assessment of simple landfills was conducted using the multimedia, multipathway and multireceptor risk assessment (3MRA) model for the first time in China. The minimum safe threshold of six contaminants (benzene, arsenic (As), cadmium (Cd), hexavalent chromium [Cr(VI)], divalent mercury [Hg(II)] and divalent nickel [Ni(II)]) in landfill and waste pile models were calculated by the 3MRA model. Furthermore, the vulnerability indexes of the six contaminants were predicted based on the model calculation. The results showed that the order of health risk vulnerability index was As > Hg(II) > Cr(VI) > benzene > Cd > Ni(II) in the landfill model, whereas the ecology risk vulnerability index was in the order of As > Hg(II) > Cr(VI) > Cd > benzene > Ni(II). In the waste pile model, the order of health risk vulnerability index was benzene > Hg(II) > Cr(VI) > As > Cd and Ni(II), whereas the ecology risk vulnerability index was in the order of Hg(II) > Cd > Cr(VI) > As > benzene > Ni(II). These results indicated that As, Hg(II) and Cr(VI) were the high risk contaminants for the case of a simple landfill in China; the concentration of these in soil and groundwater around the simple landfill should be strictly monitored, and proper mediation is also recommended for simple landfills with a high concentration of contaminants. © The Author(s) 2016.

Comparison of Hansen--Roach and ENDF/B-IV cross sections for $sup 233$U criticality calculations

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

McNeany, S. R.; Jenkins, J. D.

A comparison is made between criticality calculations performed using ENDF/B-IV cross sections and the 16-group Hansen-- Roach library at ORNL. The area investigated is homogeneous systems of highly enriched $sup 233$U in simple geometries. Calculations are compared with experimental data for a wide range of H/$sup 233$U ratios. Results show that calculations of k/sub eff/ made with the Hansen--Roach cross sections agree within 1.5 percent for the experiments considered. Results using ENDF/B-IV cross sections were in good agreement for well-thermalized systems, but discrepancies up to 7 percent in k/sub eff/ were observed in fast and epithermal systems. (auth)

Simple extrapolation method to predict the electronic structure of conjugated polymers from calculations on oligomers

DOE PAGES

Larsen, Ross E.

2016-04-12

In this study, we introduce two simple tight-binding models, which we call fragment frontier orbital extrapolations (FFOE), to extrapolate important electronic properties to the polymer limit using electronic structure calculations on only a few small oligomers. In particular, we demonstrate by comparison to explicit density functional theory calculations that for long oligomers the energies of the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), and of the first electronic excited state are accurately described as a function of number of repeat units by a simple effective Hamiltonian parameterized from electronic structure calculations on monomers, dimers and, optionally,more » tetramers. For the alternating copolymer materials that currently comprise some of the most efficient polymer organic photovoltaic devices one can use these simple but rigorous models to extrapolate computed properties to the polymer limit based on calculations on a small number of low-molecular-weight oligomers.« less

Dose calculation of dynamic trajectory radiotherapy using Monte Carlo.

PubMed

Manser, P; Frauchiger, D; Frei, D; Volken, W; Terribilini, D; Fix, M K

2018-04-06

Using volumetric modulated arc therapy (VMAT) delivery technique gantry position, multi-leaf collimator (MLC) as well as dose rate change dynamically during the application. However, additional components can be dynamically altered throughout the dose delivery such as the collimator or the couch. Thus, the degrees of freedom increase allowing almost arbitrary dynamic trajectories for the beam. While the dose delivery of such dynamic trajectories for linear accelerators is technically possible, there is currently no dose calculation and validation tool available. Thus, the aim of this work is to develop a dose calculation and verification tool for dynamic trajectories using Monte Carlo (MC) methods. The dose calculation for dynamic trajectories is implemented in the previously developed Swiss Monte Carlo Plan (SMCP). SMCP interfaces the treatment planning system Eclipse with a MC dose calculation algorithm and is already able to handle dynamic MLC and gantry rotations. Hence, the additional dynamic components, namely the collimator and the couch, are described similarly to the dynamic MLC by defining data pairs of positions of the dynamic component and the corresponding MU-fractions. For validation purposes, measurements are performed with the Delta4 phantom and film measurements using the developer mode on a TrueBeam linear accelerator. These measured dose distributions are then compared with the corresponding calculations using SMCP. First, simple academic cases applying one-dimensional movements are investigated and second, more complex dynamic trajectories with several simultaneously moving components are compared considering academic cases as well as a clinically motivated prostate case. The dose calculation for dynamic trajectories is successfully implemented into SMCP. The comparisons between the measured and calculated dose distributions for the simple as well as for the more complex situations show an agreement which is generally within 3% of the maximum dose or 3mm. The required computation time for the dose calculation remains the same when the additional dynamic moving components are included. The results obtained for the dose comparisons for simple and complex situations suggest that the extended SMCP is an accurate dose calculation and efficient verification tool for dynamic trajectory radiotherapy. This work was supported by Varian Medical Systems. Copyright © 2018. Published by Elsevier GmbH.

Collisional Shift and Broadening of Iodine Spectral Lines in Air Near 543 nm

NASA Technical Reports Server (NTRS)

Fletcher, D. G.; McDaniel, J. C.

1995-01-01

The collisional processes that influence the absorption of monochromatic light by iodine in air have been investigated. Measurements were made in both a static cell and an underexpanded jet flow over the range of properties encountered in typical compressible-flow aerodynamic applications. Experimentally measured values of the collisional shift and broadening coefficients were 0.058 +/- 0.004 and 0.53 +/- 0.010 GHz K(exp 0.7)/torr, respectively. The measured shift value showed reasonable agreement with theoretical calculations based on Lindholm-Foley collisional theory for a simple dispersive potential. The measured collisional broadening showed less favorable agreement with the calculated value.

Zombie states for description of structure and dynamics of multi-electron systems

NASA Astrophysics Data System (ADS)

Shalashilin, Dmitrii V.

2018-05-01

Canonical Coherent States (CSs) of Harmonic Oscillator have been extensively used as a basis in a number of computational methods of quantum dynamics. However, generalising such techniques for fermionic systems is difficult because Fermionic Coherent States (FCSs) require complicated algebra of Grassmann numbers not well suited for numerical calculations. This paper introduces a coherent antisymmetrised superposition of "dead" and "alive" electronic states called here Zombie State (ZS), which can be used in a manner of FCSs but without Grassmann algebra. Instead, for Zombie States, a very simple sign-changing rule is used in the definition of creation and annihilation operators. Then, calculation of electronic structure Hamiltonian matrix elements between two ZSs becomes very simple and a straightforward technique for time propagation of fermionic wave functions can be developed. By analogy with the existing methods based on Canonical Coherent States of Harmonic Oscillator, fermionic wave functions can be propagated using a set of randomly selected Zombie States as a basis. As a proof of principles, the proposed Coupled Zombie States approach is tested on a simple example showing that the technique is exact.

A simple model of hysteresis behavior using spreadsheet analysis

NASA Astrophysics Data System (ADS)

Ehrmann, A.; Blachowicz, T.

2015-01-01

Hysteresis loops occur in many scientific and technical problems, especially as field dependent magnetization of ferromagnetic materials, but also as stress-strain-curves of materials measured by tensile tests including thermal effects, liquid-solid phase transitions, in cell biology or economics. While several mathematical models exist which aim to calculate hysteresis energies and other parameters, here we offer a simple model for a general hysteretic system, showing different hysteresis loops depending on the defined parameters. The calculation which is based on basic spreadsheet analysis plus an easy macro code can be used by students to understand how these systems work and how the parameters influence the reactions of the system on an external field. Importantly, in the step-by-step mode, each change of the system state, compared to the last step, becomes visible. The simple program can be developed further by several changes and additions, enabling the building of a tool which is capable of answering real physical questions in the broad field of magnetism as well as in other scientific areas, in which similar hysteresis loops occur.

A simple derivation of the formula to calculated synthetic long-period seismograms in a heterogeneous Earth by normal mode summation

NASA Technical Reports Server (NTRS)

Tanimoto, T.

1983-01-01

A simple modification of Gilbert's formula to account for slight lateral heterogeneity of the Earth leads to a convenient formula to calculate synthetic long period seismograms. Partial derivatives are easily calculated, thus the formula is suitable for direct inversion of seismograms for lateral heterogeneity of the Earth.

Rotationally and vibrationally inelastic scattering in the rotational IOS approximation. Ultrasimple calculation of total (differential, integral, and transport) cross sections for nonspherical molecules

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

Parker, G.A.; Pack, R.T

1978-02-15

A simple, direct derivation of the rotational infinite order sudden (IOS) approximation in molecular scattering theory is given. Connections between simple scattering amplitude formulas, choice of average partial wave parameter, and magnetic transitions are reviewed. Simple procedures for calculating cross sections for specific transitions are discussed and many older model formulas are given clear derivations. Total (summed over rotation) differential, integral, and transport cross sections, useful in the analysis of many experiments involving nonspherical molecules, are shown to be exceedingly simple: They are just averages over the potential angle of cross sections calculated using simple structureless spherical particle formulas andmore » programs. In the case of vibrationally inelastic scattering, the IOSA, without further approximation, provides a well-defined way to get fully three dimensional cross sections from calculations no more difficult than collinear calculations. Integral, differential, viscosity, and diffusion cross sections for He-CO/sub 2/ obtained from the IOSA and a realistic intermolecular potential are calculated as an example and compared with experiment. Agreement is good for the complete potential but poor when only its spherical part is used, so that one should never attempt to treat this system with a spherical model. The simplicity and accuracy of the IOSA make it a viable method for routine analysis of experiments involving collisions of nonspherical molecules.« less

How Big Is the Earth? A Calculation beyond Your Horizon

ERIC Educational Resources Information Center

Kibble, Bob

2011-01-01

A consequence of the curvature of the Earth is that distant ships apparently disappear over the horizon. This article shows how you can use a simple photograph to help students obtain a reasonable estimate of the size of the Earth using little more than the mathematics of Pythagoras. (Contains 5 figures.)

Electrostatics of cysteine residues in proteins: Parameterization and validation of a simple model

PubMed Central

Salsbury, Freddie R.; Poole, Leslie B.; Fetrow, Jacquelyn S.

2013-01-01

One of the most popular and simple models for the calculation of pKas from a protein structure is the semi-macroscopic electrostatic model MEAD. This model requires empirical parameters for each residue to calculate pKas. Analysis of current, widely used empirical parameters for cysteine residues showed that they did not reproduce expected cysteine pKas; thus, we set out to identify parameters consistent with the CHARMM27 force field that capture both the behavior of typical cysteines in proteins and the behavior of cysteines which have perturbed pKas. The new parameters were validated in three ways: (1) calculation across a large set of typical cysteines in proteins (where the calculations are expected to reproduce expected ensemble behavior); (2) calculation across a set of perturbed cysteines in proteins (where the calculations are expected to reproduce the shifted ensemble behavior); and (3) comparison to experimentally determined pKa values (where the calculation should reproduce the pKa within experimental error). Both the general behavior of cysteines in proteins and the perturbed pKa in some proteins can be predicted reasonably well using the newly determined empirical parameters within the MEAD model for protein electrostatics. This study provides the first general analysis of the electrostatics of cysteines in proteins, with specific attention paid to capturing both the behavior of typical cysteines in a protein and the behavior of cysteines whose pKa should be shifted, and validation of force field parameters for cysteine residues. PMID:22777874

Identification of site frequencies from building records

USGS Publications Warehouse

Celebi, M.

2003-01-01

A simple procedure to identify site frequencies using earthquake response records from roofs and basements of buildings is presented. For this purpose, data from five different buildings are analyzed using only spectral analyses techniques. Additional data such as free-field records in close proximity to the buildings and site characterization data are also used to estimate site frequencies and thereby to provide convincing evidence and confirmation of the site frequencies inferred from the building records. Furthermore, simple code-formula is used to calculate site frequencies and compare them with the identified site frequencies from records. Results show that the simple procedure is effective in identification of site frequencies and provides relatively reliable estimates of site frequencies when compared with other methods. Therefore the simple procedure for estimating site frequencies using earthquake records can be useful in adding to the database of site frequencies. Such databases can be used to better estimate site frequencies of those sites with similar geological structures.

A simple method for calculating the characteristics of the Dutch roll motion of an airplane

NASA Technical Reports Server (NTRS)

Klawans, Bernard B

1956-01-01

A simple method for calculating the characteristics of the Dutch roll motion of an airplane is obtained by arranging the lateral equations of motion in such form and order that an iterative process is quickly convergent.

A simple derivation of the formula to calculate synthetic long-period seismograms in a heterogeneous earth by normal mode summation

NASA Technical Reports Server (NTRS)

Tanimoto, T.

1984-01-01

A simple modification of Gilbert's formula to account for slight lateral heterogeneity of the earth leads to a convenient formula to calculate synthetic long period seismograms. Partial derivatives are easily calculated, thus the formula is suitable for direct inversion of seismograms for lateral heterogeneity of the earth. Previously announced in STAR as N83-29893

Exact special twist method for quantum Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Dagrada, Mario; Karakuzu, Seher; Vildosola, Verónica Laura; Casula, Michele; Sorella, Sandro

2016-12-01

We present a systematic investigation of the special twist method introduced by Rajagopal et al. [Phys. Rev. B 51, 10591 (1995), 10.1103/PhysRevB.51.10591] for reducing finite-size effects in correlated calculations of periodic extended systems with Coulomb interactions and Fermi statistics. We propose a procedure for finding special twist values which, at variance with previous applications of this method, reproduce the energy of the mean-field infinite-size limit solution within an adjustable (arbitrarily small) numerical error. This choice of the special twist is shown to be the most accurate single-twist solution for curing one-body finite-size effects in correlated calculations. For these reasons we dubbed our procedure "exact special twist" (EST). EST only needs a fully converged independent-particles or mean-field calculation within the primitive cell and a simple fit to find the special twist along a specific direction in the Brillouin zone. We first assess the performances of EST in a simple correlated model such as the three-dimensional electron gas. Afterwards, we test its efficiency within ab initio quantum Monte Carlo simulations of metallic elements of increasing complexity. We show that EST displays an overall good performance in reducing finite-size errors comparable to the widely used twist average technique but at a much lower computational cost since it involves the evaluation of just one wave function. We also demonstrate that the EST method shows similar performances in the calculation of correlation functions, such as the ionic forces for structural relaxation and the pair radial distribution function in liquid hydrogen. Our conclusions point to the usefulness of EST for correlated supercell calculations; our method will be particularly relevant when the physical problem under consideration requires large periodic cells.

Flying Through Polytropes

NASA Technical Reports Server (NTRS)

Pesnell, W. Dean

2016-01-01

Dropping objects into a tunnel bored through Earth has been used to visualize simple harmonic motion for many years, and even imagined for use as rapid transport systems. Unlike previous studies that assumed a constant density Earth, here we calculate the fall-through time of polytropes, models of Earth's interior where the pressure varies as a power of the density. This means the fall-through time can be calculated as the central condensation varies from one to large within the family of polytropes. Having a family of models, rather than a single model, helps to explore the properties of planets and stars. Comparing the family of phase space solutions shows that the fall-through time and velocity approach the limit of radial free-fall onto a point mass as the central condensation increases. More condensed models give higher maximum velocities but do not have the right global properties for Earth. The angular distance one can travel along the surface is calculated as a brachistochrone (path of least time) tunnel that is a function of the depth to which the tunnel is bored. We also show that completely degenerate objects, simple models of white dwarf stars supported by completely degenerate electrons, have sizes similar to Earth but their much higher masses mean a much larger gravitational strength and a shorter fall-through time. Numerical integrations of the equations describing polytropes and completely degenerate objects are used to generate the initial models. Analytic solutions and numerical integration of the equations of motion are used to calculate the fall-through time for each model, and numerical integrations with analytic approximations at the boundaries are used to calculate the brachistochrones in the polytropes. Scaling relationships are provided to help use these results in other planets and stars.

Theoretical Prediction of Magnetism in C-doped TlBr

NASA Astrophysics Data System (ADS)

Zhou, Yuzhi; Haller, E. E.; Chrzan, D. C.

2014-05-01

We predict that C, N, and O dopants in TlBr can display large, localized magnetic moments. Density functional theory based electronic structure calculations show that the moments arise from partial filling of the crystal-field-split localized p states of the dopant atoms. A simple model is introduced to explain the magnitude of the moments.

Calculation of stochastic broadening due to noise and field errors in the simple map in action-angle coordinates

NASA Astrophysics Data System (ADS)

Hinton, Courtney; Punjabi, Alkesh; Ali, Halima

2008-11-01

The simple map is the simplest map that has topology of divertor tokamaks [1]. Recently, the action-angle coordinates for simple map are analytically calculated, and simple map is constructed in action-angle coordinates [2]. Action-angle coordinates for simple map can not be inverted to real space coordinates (R,Z). Because there is logarithmic singularity on the ideal separatrix, trajectories can not cross separatrix [2]. Simple map in action-angle coordinates is applied to calculate stochastic broadening due to magnetic noise and field errors. Mode numbers for noise + field errors from the DIII-D tokamak are used. Mode numbers are (m,n)=(3,1), (4,1), (6,2), (7,2), (8,2), (9,3), (10,3), (11,3), (12,3) [3]. The common amplitude δ is varied from 0.8X10-5 to 2.0X10-5. For this noise and field errors, the width of stochastic layer in simple map is calculated. This work is supported by US Department of Energy grants DE-FG02-07ER54937, DE-FG02-01ER54624 and DE-FG02-04ER54793 1. A. Punjabi, H. Ali, T. Evans, and A. Boozer, Phys. Let. A 364, 140--145 (2007). 2. O. Kerwin, A. Punjabi, and H. Ali, to appear in Physics of Plasmas. 3. A. Punjabi and H. Ali, P1.012, 35^th EPS Conference on Plasma Physics, June 9-13, 2008, Hersonissos, Crete, Greece.

Rendering the "Not-So-Simple" Pendulum Experimentally Accessible.

ERIC Educational Resources Information Center

Jackson, David P.

1996-01-01

Presents three methods for obtaining experimental data related to acceleration of a simple pendulum. Two of the methods involve angular position measurements and the subsequent calculation of the acceleration while the third method involves a direct measurement of the acceleration. Compares these results with theoretical calculations and…

Gradient corrections to the exchange-correlation free energy

DOE PAGES

Sjostrom, Travis; Daligault, Jerome

2014-10-07

We develop the first-order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite-temperature density functional calculations. Based on this, we propose and implement a simple temperature-dependent extension for functionals beyond the local density approximation. These finite-temperature functionals show improvement over zero-temperature functionals, as compared to path-integral Monte Carlo calculations for deuterium equations of state, and perform without computational cost increase compared to zero-temperature functionals and so should be used for finite-temperature calculations. Furthermore, while the present functionals are valid at all temperatures including zero, non-negligible difference with zero-temperature functionals begins at temperatures abovemore » 10 000 K.« less

Double simple-harmonic-oscillator formulation of the thermal equilibrium of a fluid interacting with a coherent source of phonons

NASA Technical Reports Server (NTRS)

Defacio, B.; Vannevel, Alan; Brander, O.

1993-01-01

A formulation is given for a collection of phonons (sound) in a fluid at a non-zero temperature which uses the simple harmonic oscillator twice; one to give a stochastic thermal 'noise' process and the other which generates a coherent Glauber state of phonons. Simple thermodynamic observables are calculated and the acoustic two point function, 'contrast' is presented. The role of 'coherence' in an equilibrium system is clarified by these results and the simple harmonic oscillator is a key structure in both the formulation and the calculations.

A simple method for measurement of maximal downstroke power on friction-loaded cycle ergometer.

PubMed

Morin, Jean-Benoît; Belli, Alain

2004-01-01

The aim of this study was to propose and validate a post-hoc correction method to obtain maximal power values taking into account inertia of the flywheel during sprints on friction-loaded cycle ergometers. This correction method was obtained from a basic postulate of linear deceleration-time evolution during the initial phase (until maximal power) of a sprint and included simple parameters as flywheel inertia, maximal velocity, time to reach maximal velocity and friction force. The validity of this model was tested by comparing measured and calculated maximal power values for 19 sprint bouts performed by five subjects against 0.6-1 N kg(-1) friction loads. Non-significant differences between measured and calculated maximal power (1151+/-169 vs. 1148+/-170 W) and a mean error index of 1.31+/-1.20% (ranging from 0.09% to 4.20%) showed the validity of this method. Furthermore, the differences between measured maximal power and power neglecting inertia (20.4+/-7.6%, ranging from 9.5% to 33.2%) emphasized the usefulness of power correcting in studies about anaerobic power which do not include inertia, and also the interest of this simple post-hoc method.

Electrostatics of cysteine residues in proteins: parameterization and validation of a simple model.

PubMed

Salsbury, Freddie R; Poole, Leslie B; Fetrow, Jacquelyn S

2012-11-01

One of the most popular and simple models for the calculation of pK(a) s from a protein structure is the semi-macroscopic electrostatic model MEAD. This model requires empirical parameters for each residue to calculate pK(a) s. Analysis of current, widely used empirical parameters for cysteine residues showed that they did not reproduce expected cysteine pK(a) s; thus, we set out to identify parameters consistent with the CHARMM27 force field that capture both the behavior of typical cysteines in proteins and the behavior of cysteines which have perturbed pK(a) s. The new parameters were validated in three ways: (1) calculation across a large set of typical cysteines in proteins (where the calculations are expected to reproduce expected ensemble behavior); (2) calculation across a set of perturbed cysteines in proteins (where the calculations are expected to reproduce the shifted ensemble behavior); and (3) comparison to experimentally determined pK(a) values (where the calculation should reproduce the pK(a) within experimental error). Both the general behavior of cysteines in proteins and the perturbed pK(a) in some proteins can be predicted reasonably well using the newly determined empirical parameters within the MEAD model for protein electrostatics. This study provides the first general analysis of the electrostatics of cysteines in proteins, with specific attention paid to capturing both the behavior of typical cysteines in a protein and the behavior of cysteines whose pK(a) should be shifted, and validation of force field parameters for cysteine residues. Copyright © 2012 Wiley Periodicals, Inc.

A simple algorithm for sequentially incorporating gravity observations in seismic traveltime tomography

USGS Publications Warehouse

Parsons, T.; Blakely, R.J.; Brocher, T.M.

2001-01-01

The geologic structure of the Earth's upper crust can be revealed by modeling variation in seismic arrival times and in potential field measurements. We demonstrate a simple method for sequentially satisfying seismic traveltime and observed gravity residuals in an iterative 3-D inversion. The algorithm is portable to any seismic analysis method that uses a gridded representation of velocity structure. Our technique calculates the gravity anomaly resulting from a velocity model by converting to density with Gardner's rule. The residual between calculated and observed gravity is minimized by weighted adjustments to the model velocity-depth gradient where the gradient is steepest and where seismic coverage is least. The adjustments are scaled by the sign and magnitude of the gravity residuals, and a smoothing step is performed to minimize vertical streaking. The adjusted model is then used as a starting model in the next seismic traveltime iteration. The process is repeated until one velocity model can simultaneously satisfy both the gravity anomaly and seismic traveltime observations within acceptable misfits. We test our algorithm with data gathered in the Puget Lowland of Washington state, USA (Seismic Hazards Investigation in Puget Sound [SHIPS] experiment). We perform resolution tests with synthetic traveltime and gravity observations calculated with a checkerboard velocity model using the SHIPS experiment geometry, and show that the addition of gravity significantly enhances resolution. We calculate a new velocity model for the region using SHIPS traveltimes and observed gravity, and show examples where correlation between surface geology and modeled subsurface velocity structure is enhanced.

MELTS_Excel: A Microsoft Excel-based MELTS interface for research and teaching of magma properties and evolution

NASA Astrophysics Data System (ADS)

Gualda, Guilherme A. R.; Ghiorso, Mark S.

2015-01-01

thermodynamic modeling software MELTS is a powerful tool for investigating crystallization and melting in natural magmatic systems. Rhyolite-MELTS is a recalibration of MELTS that better captures the evolution of silicic magmas in the upper crust. The current interface of rhyolite-MELTS, while flexible, can be somewhat cumbersome for the novice. We present a new interface that uses web services consumed by a VBA backend in Microsoft Excel©. The interface is contained within a macro-enabled workbook, where the user can insert the model input information and initiate computations that are executed on a central server at OFM Research. Results of simple calculations are shown immediately within the interface itself. It is also possible to combine a sequence of calculations into an evolutionary path; the user can input starting and ending temperatures and pressures, temperature and pressure steps, and the prevailing oxidation conditions. The program shows partial updates at every step of the computations; at the conclusion of the calculations, a series of data sheets and diagrams are created in a separate workbook, which can be saved independently of the interface. Additionally, the user can specify a grid of temperatures and pressures and calculate a phase diagram showing the conditions at which different phases are present. The interface can be used to apply the rhyolite-MELTS geobarometer. We demonstrate applications of the interface using an example early-erupted Bishop Tuff composition. The interface is simple to use and flexible, but it requires an internet connection. The interface is distributed for free from http://melts.ofm-research.org.

Rare-gas impurities in alkali metals: Relation to optical absorption

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

Meltzer, D.E.; Pinski, F.J.; Stocks, G.M.

1988-04-15

An investigation of the nature of rare-gas impurity potentials in alkali metals is performed. Results of calculations based on simple models are presented, which suggest the possibility of resonance phenomena. These could lead to widely varying values for the exponents which describe the shape of the optical-absorption spectrum at threshold in the Mahan--Nozieres--de Dominicis theory. Detailed numerical calculations are then performed with the Korringa-Kohn-Rostoker coherent-potential-approximation method. The results of these highly realistic calculations show no evidence for the resonance phenomena, and lead to predictions for the shape of the spectra which are in contradiction to observations. Absorption and emission spectramore » are calculated for two of the systems studied, and their relation to experimental data is discussed.« less

The physics of powerlifting

NASA Astrophysics Data System (ADS)

Radenković, Lazar; Nešić, Ljubiša

2018-05-01

The main contribution of this paper is didactic adaptation of the biomechanical analysis of the three main lifts in powerlifting (squat, bench press, deadlift). We used simple models that can easily be understood by undergraduate college students to estimate the values of various physical quantities during powerlifting. Specifically, we showed how plate choice affects the bench press and estimated spine loads and torques at hip and knee during lifting. Theoretical calculations showed good agreement with experimental data, proving that the models are valid.

A Simple Method for Calculating Clebsch-Gordan Coefficients

ERIC Educational Resources Information Center

Klink, W. H.; Wickramasekara, S.

2010-01-01

This paper presents a simple method for calculating Clebsch-Gordan coefficients for the tensor product of two unitary irreducible representations (UIRs) of the rotation group. The method also works for multiplicity-free irreducible representations appearing in the tensor product of any number of UIRs of the rotation group. The generalization to…

Effective lattice Hamiltonian for monolayer tin disulfide: Tailoring electronic structure with electric and magnetic fields

NASA Astrophysics Data System (ADS)

Yu, Jin; van Veen, Edo; Katsnelson, Mikhail I.; Yuan, Shengjun

2018-06-01

The electronic properties of monolayer tin dilsulfide (ML -Sn S2 ), a recently synthesized metal dichalcogenide, are studied by a combination of first-principles calculations and tight-binding (TB) approximation. An effective lattice Hamiltonian based on six hybrid s p -like orbitals with trigonal rotation symmetry are proposed to calculate the band structure and density of states for ML -Sn S2 , which demonstrates good quantitative agreement with relativistic density-functional-theory calculations in a wide energy range. We show that the proposed TB model can be easily applied to the case of an external electric field, yielding results consistent with those obtained from full Hamiltonian results. In the presence of a perpendicular magnetic field, highly degenerate equidistant Landau levels are obtained, showing typical two-dimensional electron gas behavior. Thus, the proposed TB model provides a simple way in describing properties in ML -Sn S2 .

HENRY'S LAW CALCULATOR

EPA Science Inventory

On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

ON-LINE CALCULATOR: FORWARD CALCULATION JOHNSON ETTINGER MODEL

EPA Science Inventory

On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

A multi-institutional study of independent calculation verification in inhomogeneous media using a simple and effective method of heterogeneity correction integrated with the Clarkson method.

PubMed

Jinno, Shunta; Tachibana, Hidenobu; Moriya, Shunsuke; Mizuno, Norifumi; Takahashi, Ryo; Kamima, Tatsuya; Ishibashi, Satoru; Sato, Masanori

2018-05-21

In inhomogeneous media, there is often a large systematic difference in the dose between the conventional Clarkson algorithm (C-Clarkson) for independent calculation verification and the superposition-based algorithms of treatment planning systems (TPSs). These treatment site-dependent differences increase the complexity of the radiotherapy planning secondary check. We developed a simple and effective method of heterogeneity correction integrated with the Clarkson algorithm (L-Clarkson) to account for the effects of heterogeneity in the lateral dimension, and performed a multi-institutional study to evaluate the effectiveness of the method. In the method, a 2D image reconstructed from computed tomography (CT) images is divided according to lines extending from the reference point to the edge of the multileaf collimator (MLC) or jaw collimator for each pie sector, and the radiological path length (RPL) of each line is calculated on the 2D image to obtain a tissue maximum ratio and phantom scatter factor, allowing the dose to be calculated. A total of 261 plans (1237 beams) for conventional breast and lung treatments and lung stereotactic body radiotherapy were collected from four institutions. Disagreements in dose between the on-site TPSs and a verification program using the C-Clarkson and L-Clarkson algorithms were compared. Systematic differences with the L-Clarkson method were within 1% for all sites, while the C-Clarkson method resulted in systematic differences of 1-5%. The L-Clarkson method showed smaller variations. This heterogeneity correction integrated with the Clarkson algorithm would provide a simple evaluation within the range of -5% to +5% for a radiotherapy plan secondary check.

Shotput kinematics made simple

NASA Astrophysics Data System (ADS)

Faella, O.; De Luca, R.

2013-11-01

We show that some results in the kinematics of a point particle can be easily recalled by introducing simple definitions. In particular, in the parabolic motion of a particle thrown from a height h above the origin O at an angle θ from the horizontal direction, the optimum angle θ* for reaching the maximum distance Rmax on the ground, measured from the origin, can be found by calculating the inverse tangent of the ratio between the initial velocity V0 and the final velocity Vf. The value of Rmax is itself found to be easily expressed as V0Vf/g, g being the acceleration due to gravity.

An eerie note of caution from two papers of Mostafa M.A. Khater et al. and Sadaf Bibi et al. [Results in Physics, 7 (2017) 2325-2333 and 4440-4450.

NASA Astrophysics Data System (ADS)

Zayed, Elsayed M. E.; Al-Nowehy, Abdul-Ghani; El-Ganaini, Shoukry; Shohib, Reham M. A.

2018-06-01

This note concerns the doubtful Khater method included in the above two papers. We show by simple calculation that Khater method is not true. The solutions of the proposed nonlinear equations in the above two papers are all not true too.

Canonical Representations of the Simple Map

NASA Astrophysics Data System (ADS)

Kerwin, Olivia; Punjabi, Alkesh; Ali, Halima; Boozer, Allen

2007-11-01

The simple map is the simplest map that has the topology of a divertor tokamak. The simple map has three canonical representations: (i) toroidal flux and poloidal angle (ψ,θ) as canonical coordinates, (ii) the physical variables (R,Z) or (X,Y) as canonical coordinates, and (iii) the action-angle (J,ζ) or magnetic variables (ψ,θ) as canonical coordinates. We give the derivation of the simple map in the (X,Y) representation. The simple map in this representation has been studied extensively (Ref. 1 and references therein). We calculate the magnetic coordinates for the simple map, construct the simple map in magnetic coordinates, and calculate generic topological effects of magnetic perturbations in divertor tokamaks using the map. We also construct the simple map in (ψ,θ) representation. Preliminary results of these studies will be presented. This work is supported by US DOE OFES DE-FG02-01ER54624 and DE-FG02-04ER54793. [1] A. Punjabi, H. Ali, T. Evans, and A. Boozer, Phys Lett A 364 140--145 (2007).

Offner stretcher aberrations revisited to compensate material dispersion

NASA Astrophysics Data System (ADS)

Vyhlídka, Štěpán; Kramer, Daniel; Meadows, Alexander; Rus, Bedřich

2018-05-01

We present simple analytical formulae for the calculation of the spectral phase and residual angular dispersion of an ultrashort pulse propagating through the Offner stretcher. Based on these formulae, we show that the radii of curvature of both convex and concave mirrors in the Offner triplet can be adapted to tune the fourth order dispersion term of the spectral phase of the pulse. As an example, a single-grating Offner stretcher design suitable for the suppression of material dispersion in the Ti:Sa PALS laser system is proposed. The results obtained by numerical raytracing well match those calculated from the analytical formulae.

Are artificial opals non-close-packed fcc structures?

NASA Astrophysics Data System (ADS)

García-Santamaría, F.; Braun, P. V.

2007-06-01

The authors report a simple experimental method to accurately measure the volume fraction of artificial opals. The results are modeled using several methods, and they find that some of the most common yield very inaccurate results. Both finite size and substrate effects play an important role in calculations of the volume fraction. The experimental results show that the interstitial pore volume is 4%-15% larger than expected for close-packed structures. Consequently, calculations performed in previous work relating the amount of material synthesized in the opal interstices with the optical properties may need revision, especially in the case of high refractive index materials.

Generic Friedberg-Lee symmetry of Dirac neutrinos

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

Luo Shu; Xing Zhizhong; Li Xin

2008-12-01

We write out the generic Dirac neutrino mass operator which possesses the Friedberg-Lee symmetry and find that its corresponding neutrino mass matrix is asymmetric. Following a simple way to break the Friedberg-Lee symmetry, we calculate the neutrino mass eigenvalues and show that the resultant neutrino mixing pattern is nearly tri-bimaximal. Imposing the Hermitian condition on the neutrino mass matrix, we also show that the simplified ansatz is consistent with current experimental data and favors the normal neutrino mass hierarchy.

Simple model to estimate the contribution of atmospheric CO2 to the Earth's greenhouse effect

NASA Astrophysics Data System (ADS)

Wilson, Derrek J.; Gea-Banacloche, Julio

2012-04-01

We show how the CO2 contribution to the Earth's greenhouse effect can be estimated from relatively simple physical considerations and readily available spectroscopic data. In particular, we present a calculation of the "climate sensitivity" (that is, the increase in temperature caused by a doubling of the concentration of CO2) in the absence of feedbacks. Our treatment highlights the important role played by the frequency dependence of the CO2 absorption spectrum. For pedagogical purposes, we provide two simple models to visualize different ways in which the atmosphere might return infrared radiation back to the Earth. The more physically realistic model, based on the Schwarzschild radiative transfer equations, uses as input an approximate form of the atmosphere's temperature profile, and thus includes implicitly the effect of heat transfer mechanisms other than radiation.

Simple graphene chemiresistors as pH sensors: fabrication and characterization

NASA Astrophysics Data System (ADS)

Lei, Nan; Li, Pengfei; Xue, Wei; Xu, Jie

2011-10-01

We report the fabrication and characterization of a simple gate-free graphene device as a pH sensor. The graphene sheets are made by mechanical exfoliation. Platinum contact electrodes are fabricated with a mask-free process using a focused ion beam and then expanded by silver paint. Annealing is used to improve the electrical contact. The experiment on the fabricated graphene device shows that the resistance of the device decreases linearly with increasing pH values (in the range of 4-10) in the surrounding liquid environment. The resolution achieved in our experiments is approximately 0.3 pH in alkali environment. The sensitivity of the device is calculated as approximately 2 kΩ pH-1. The simple configuration, miniaturized size and integration ability make graphene-based sensors promising candidates for future micro/nano applications.

Materials processing in a centrifuge - Numerical modeling of macrogravity effects

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Downey, J. P.; Jones, J. C.; Curreri, P. A.

1992-01-01

The fluid mechanics associated with crystal growth processes on a centrifuge is investigated. A simple scaling analysis is used to examine the relative magnitudes of the forces acting on the system and good agreement is obtained with previous studies. A two-dimensional model of crystal growth on a centrifuge is proposed and calculations are undertaken to help in understanding the fundamental transport processes within the crystal growth cell. Results from three-dimensional calculations of actual centrifuge-based crystal growth systems are presented both for the thermodynamically stable and unstable configurations. The calculations show the existence of flow bifurcations in certain configurations but not in all instances. The numerical simulations also show that the centrifugal force is the dominant stabilizing force on fluid convection in the stable configuration. The stabilizing influence of the Coriolis force is found to be only secondary in nature. No significant impact of gravity gradient is found in the calculations. Simulations of unstable configurations show that the Coriolis force has a stabilizing influence on fluid motion by delaying the onset of unsteady convection. Detailed flow and thermal field characteristics are presented for all the different cases that are simulated.

ON-LINE CALCULATOR: JOHNSON ETTINGER VAPOR INTRUSION MODEL

EPA Science Inventory

On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

Hardness of H13 Tool Steel After Non-isothermal Tempering

NASA Astrophysics Data System (ADS)

Nelson, E.; Kohli, A.; Poirier, D. R.

2018-04-01

A direct method to calculate the tempering response of a tool steel (H13) that exhibits secondary hardening is presented. Based on the traditional method of presenting tempering response in terms of isothermal tempering, we show that the tempering response for a steel undergoing a non-isothermal tempering schedule can be predicted. Experiments comprised (1) isothermal tempering, (2) non-isothermal tempering pertaining to a relatively slow heating to process-temperature and (3) fast-heating cycles that are relevant to tempering by induction heating. After establishing the tempering response of the steel under simple isothermal conditions, the tempering response can be applied to non-isothermal tempering by using a numerical method to calculate the tempering parameter. Calculated results are verified by the experiments.

Application of experiential learning model using simple physical kit to increase attitude toward physics student senior high school in fluid

NASA Astrophysics Data System (ADS)

Johari, A. H.; Muslim

2018-05-01

Experiential learning model using simple physics kit has been implemented to get a picture of improving attitude toward physics senior high school students on Fluid. This study aims to obtain a description of the increase attitudes toward physics senior high school students. The research method used was quasi experiment with non-equivalent pretest -posttest control group design. Two class of tenth grade were involved in this research 28, 26 students respectively experiment class and control class. Increased Attitude toward physics of senior high school students is calculated using an attitude scale consisting of 18 questions. Based on the experimental class test average of 86.5% with the criteria of almost all students there is an increase and in the control class of 53.75% with the criteria of half students. This result shows that the influence of experiential learning model using simple physics kit can improve attitude toward physics compared to experiential learning without using simple physics kit.

Some Dynamical Features of Molecular Fragmentation by Electrons and Swift Ions

NASA Astrophysics Data System (ADS)

Montenegro, E. C.; Sigaud, L.; Wolff, W.; Luna, H.; Natalia, Ferreira

To date, the large majority of studies on molecular fragmentation by swift charged particles have been carried out using simple molecules, for which reliable Potential Energy Curves are available to interpret the measured fragmentation yields. For complex molecules the scenario is quite different and such guidance is not available, obscuring even a simple organization of the data which are currently obtained for a large variety of molecules of biological or technological interest. In this work we show that a general and relatively simple methodology can be used to obtain a broader picture of the fragmentation pattern of an arbitrary molecule. The electronic ionization or excitation cross section of a given molecular orbital, which is the first part of the fragmentation process, can be well scaled by a simple and general procedure at high projectile velocities. The fragmentation fractions arising from each molecular orbital can then be achieved by matching the calculated ionization with the measured fragmentation cross sections. Examples for Oxygen, Chlorodifluoromethane and Pyrimidine molecules are presented.

Comparative study of the pentamodal property of four potential pentamode microstructures

NASA Astrophysics Data System (ADS)

Huang, Yan; Lu, Xuegang; Liang, Gongying; Xu, Zhuo

2017-03-01

In this paper, a numerical comparative study is presented on the pentamodal property of four potential pentamode microstructures (three based on simple cubic and one on body-centered cubic structures) based on phonon band calculations. The finite-element method is employed to calculate the band structures, and the two essential factors of the ratio of bulk modulus B to shear modulus G and the single-mode band gap (SBG) are analyzed to quantitatively evaluate the pentamodal property. The results show that all four structures possess a higher B/G ratio than traditional materials. One of the simple cubic structures exhibits the incomplete SBG, while the three other structures exhibit complete SBG to decouple the compression and shear waves in all propagation directions. Further parametric analyses are presented investigating the effects of geometrical and material parameters on the pentamodal property of these structures. This study provides guidelines for the future design of novel pentamode microstructures possessing a high B/G ratio and a low-frequency broadband SBG.

Assessing the stock market volatility for different sectors in Malaysia by using standard deviation and EWMA methods

NASA Astrophysics Data System (ADS)

Saad, Shakila; Ahmad, Noryati; Jaffar, Maheran Mohd

2017-11-01

Nowadays, the study on volatility concept especially in stock market has gained so much attention from a group of people engaged in financial and economic sectors. The applications of volatility concept in financial economics can be seen in valuation of option pricing, estimation of financial derivatives, hedging the investment risk and etc. There are various ways to measure the volatility value. However for this study, two methods are used; the simple standard deviation and Exponentially Weighted Moving Average (EWMA). The focus of this study is to measure the volatility on three different sectors of business in Malaysia, called primary, secondary and tertiary by using both methods. The daily and annual volatilities of different business sector based on stock prices for the period of 1 January 2014 to December 2014 have been calculated in this study. Result shows that different patterns of the closing stock prices and return give different volatility values when calculating using simple method and EWMA method.

A novel algorithm for laser self-mixing sensors used with the Kalman filter to measure displacement

NASA Astrophysics Data System (ADS)

Sun, Hui; Liu, Ji-Gou

2018-07-01

This paper proposes a simple and effective method for estimating the feedback level factor C in a self-mixing interferometric sensor. It is used with a Kalman filter to retrieve the displacement. Without the complicated and onerous calculation process of the general C estimation method, a final equation is obtained. Thus, the estimation of C only involves a few simple calculations. It successfully retrieves the sinusoidal and aleatory displacement by means of simulated self-mixing signals in both weak and moderate feedback regimes. To deal with the errors resulting from noise and estimate bias of C and to further improve the retrieval precision, a Kalman filter is employed following the general phase unwrapping method. The simulation and experiment results show that the retrieved displacement using the C obtained with the proposed method is comparable to the joint estimation of C and α. Besides, the Kalman filter can significantly decrease measurement errors, especially the error caused by incorrectly locating the peak and valley positions of the signal.

Fault identification of rotor-bearing system based on ensemble empirical mode decomposition and self-zero space projection analysis

NASA Astrophysics Data System (ADS)

Jiang, Fan; Zhu, Zhencai; Li, Wei; Zhou, Gongbo; Chen, Guoan

2014-07-01

Accurately identifying faults in rotor-bearing systems by analyzing vibration signals, which are nonlinear and nonstationary, is challenging. To address this issue, a new approach based on ensemble empirical mode decomposition (EEMD) and self-zero space projection analysis is proposed in this paper. This method seeks to identify faults appearing in a rotor-bearing system using simple algebraic calculations and projection analyses. First, EEMD is applied to decompose the collected vibration signals into a set of intrinsic mode functions (IMFs) for features. Second, these extracted features under various mechanical health conditions are used to design a self-zero space matrix according to space projection analysis. Finally, the so-called projection indicators are calculated to identify the rotor-bearing system's faults with simple decision logic. Experiments are implemented to test the reliability and effectiveness of the proposed approach. The results show that this approach can accurately identify faults in rotor-bearing systems.

Stationary echo canceling in velocity estimation by time-domain cross-correlation.

PubMed

Jensen, J A

1993-01-01

The application of stationary echo canceling to ultrasonic estimation of blood velocities using time-domain cross-correlation is investigated. Expressions are derived that show the influence from the echo canceler on the signals that enter the cross-correlation estimator. It is demonstrated that the filtration results in a velocity-dependent degradation of the signal-to-noise ratio. An analytic expression is given for the degradation for a realistic pulse. The probability of correct detection at low signal-to-noise ratios is influenced by signal-to-noise ratio, transducer bandwidth, center frequency, number of samples in the range gate, and number of A-lines employed in the estimation. Quantitative results calculated by a simple simulation program are given for the variation in probability from these parameters. An index reflecting the reliability of the estimate at hand can be calculated from the actual cross-correlation estimate by a simple formula and used in rejecting poor estimates or in displaying the reliability of the velocity estimated.

The decay of highly excited open strings

NASA Technical Reports Server (NTRS)

Mitchell, D.; Turok, N.; Wilkinson, R.; Jetzer, P.

1988-01-01

The decay rates of leading edge Regge trajectory states are calculated for very high level number in open bosonic string theories, ignoring tachyon final states. The optical theorem simplifies the analysis while enabling identification of the different mass level decay channels. The main result is that (in four dimensions) the greatest single channel is the emission of a single photon and a state of the next mass level down. A simple asymptotic formula for arbitrarily high level number is given for this process. Also calculated is the total decay rate exactly up to N=100. It shows little variation over this range but appears to decrease for larger N. The formalism is checked in examples and the decay rate of the first excited level calculated for open superstring theories. The calculation may also have implications for high spin meson resonances.

Use of the PIXEL method to investigate gas adsorption in metal–organic frameworks† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6ce00555a Click here for additional data file. Click here for additional data file. Click here for additional data file.

PubMed Central

Maloney, Andrew G. P.; Wood, Peter A.

2016-01-01

PIXEL has been used to perform calculations of adsorbate-adsorbent interaction energies between a range of metal–organic frameworks (MOFs) and simple guest molecules. Interactions have been calculated for adsorption between MOF-5 and Ar, H2, and N2; Zn2(BDC)2(TED) (BDC = 1,4-benzenedicarboxylic acid, TED = triethylenediamine) and H2; and HKUST-1 and CO2. The locations of the adsorption sites and the calculated energies, which show differences in the Coulombic or dispersion characteristic of the interaction, compare favourably to experimental data and literature energy values calculated using density functional theory. PMID:28496380

12 CFR Appendix A to Part 230 - Annual Percentage Yield Calculation

Code of Federal Regulations, 2010 CFR

2010-01-01

... following simple formula: APY=100 (Interest/Principal) Examples (1) If an institution pays $61.68 in... percentage yield is 5.39%, using the simple formula: APY=100(134.75/2,500) APY=5.39% For $15,000, interest is... Yield Calculation The annual percentage yield measures the total amount of interest paid on an account...

A Simple Spreadsheet Program for the Calculation of Lattice-Site Distributions

ERIC Educational Resources Information Center

McCaffrey, John G.

2009-01-01

A simple spreadsheet program is presented that can be used by undergraduate students to calculate the lattice-site distributions in solids. A major strength of the method is the natural way in which the correct number of ions or atoms are present, or absent, at specific lattice distances. The expanding-cube method utilized is straightforward to…

Exciton Absorption Spectra by Linear Response Methods:Application to Conjugated Polymers

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

Mosquera, Martin A.; Jackson, Nicholas E.; Fauvell, Thomas J.

The theoretical description of the timeevolution of excitons requires, as an initial step, the calculation of their spectra, which has been inaccessible to most users due to the high computational scaling of conventional algorithms and accuracy issues caused by common density functionals. Previously (J. Chem. Phys. 2016, 144, 204105), we developed a simple method that resolves these issues. Our scheme is based on a two-step calculation in which a linear-response TDDFT calculation is used to generate orbitals perturbed by the excitonic state, and then a second linear-response TDDFT calculation is used to determine the spectrum of excitations relative to themore » excitonic state. Herein, we apply this theory to study near-infrared absorption spectra of excitons in oligomers of the ubiquitous conjugated polymers poly(3-hexylthiophene) (P3HT), poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV), and poly(benzodithiophene-thieno[3,4-b]thiophene) (PTB7). For P3HT and MEH-PPV oligomers, the calculated intense absorption bands converge at the longest wavelengths for 10 monomer units, and show strong consistency with experimental measurements. The calculations confirm that the exciton spectral features in MEH-PPV overlap with those of the bipolaron formation. In addition, our calculations identify the exciton absorption bands in transient absorption spectra measured by our group for oligomers (1, 2, and 3 units) of PTB7. For all of the cases studied, we report the dominant orbital excitations contributing to the optically active excited state-excited state transitions, and suggest a simple rule to identify absorption peaks at the longest wavelengths. We suggest our methodology could be considered for further evelopments in theoretical transient spectroscopy to include nonadiabatic effects, coherences, and to describe the formation of species such as charge-transfer states and polaron pairs.« less

Pediatric siMS score: A new, simple and accurate continuous metabolic syndrome score for everyday use in pediatrics.

PubMed

Vukovic, Rade; Milenkovic, Tatjana; Stojan, George; Vukovic, Ana; Mitrovic, Katarina; Todorovic, Sladjana; Soldatovic, Ivan

2017-01-01

The dichotomous nature of the current definition of metabolic syndrome (MS) in youth results in loss of information. On the other hand, the calculation of continuous MS scores using standardized residuals in linear regression (Z scores) or factor scores of principal component analysis (PCA) is highly impractical for clinical use. Recently, a novel, easily calculated continuous MS score called siMS score was developed based on the IDF MS criteria for the adult population. To develop a Pediatric siMS score (PsiMS), a modified continuous MS score for use in the obese youth, based on the original siMS score, while keeping the score as simple as possible and retaining high correlation with more complex scores. The database consisted of clinical data on 153 obese (BMI ≥95th percentile) children and adolescents. Continuous MS scores were calculated using Z scores and PCA, as well as the original siMS score. Four variants of PsiMS score were developed in accordance with IDF criteria for MS in youth and correlation of these scores with PCA and Z score derived MS continuous scores was assessed. PsiMS score calculated using formula: (2xWaist/Height) + (Glucose(mmol/l)/5.6) + (triglycerides(mmol/l)/1.7) + (Systolic BP/130)-(HDL(mmol/l)/1.02) showed the highest correlation with most of the complex continuous scores (0.792-0.901). The original siMS score also showed high correlation with continuous MS scores. PsiMS score represents a practical and accurate score for the evaluation of MS in the obese youth. The original siMS score should be used when evaluating large cohorts consisting of both adults and children.

A Novel Optical/digital Processing System for Pattern Recognition

NASA Technical Reports Server (NTRS)

Boone, Bradley G.; Shukla, Oodaye B.

1993-01-01

This paper describes two processing algorithms that can be implemented optically: the Radon transform and angular correlation. These two algorithms can be combined in one optical processor to extract all the basic geometric and amplitude features from objects embedded in video imagery. We show that the internal amplitude structure of objects is recovered by the Radon transform, which is a well-known result, but, in addition, we show simulation results that calculate angular correlation, a simple but unique algorithm that extracts object boundaries from suitably threshold images from which length, width, area, aspect ratio, and orientation can be derived. In addition to circumventing scale and rotation distortions, these simulations indicate that the features derived from the angular correlation algorithm are relatively insensitive to tracking shifts and image noise. Some optical architecture concepts, including one based on micro-optical lenslet arrays, have been developed to implement these algorithms. Simulation test and evaluation using simple synthetic object data will be described, including results of a study that uses object boundaries (derivable from angular correlation) to classify simple objects using a neural network.

A common base method for analysis of qPCR data and the application of simple blocking in qPCR experiments.

PubMed

Ganger, Michael T; Dietz, Geoffrey D; Ewing, Sarah J

2017-12-01

qPCR has established itself as the technique of choice for the quantification of gene expression. Procedures for conducting qPCR have received significant attention; however, more rigorous approaches to the statistical analysis of qPCR data are needed. Here we develop a mathematical model, termed the Common Base Method, for analysis of qPCR data based on threshold cycle values (C q ) and efficiencies of reactions (E). The Common Base Method keeps all calculations in the logscale as long as possible by working with log 10 (E) ∙ C q , which we call the efficiency-weighted C q value; subsequent statistical analyses are then applied in the logscale. We show how efficiency-weighted C q values may be analyzed using a simple paired or unpaired experimental design and develop blocking methods to help reduce unexplained variation. The Common Base Method has several advantages. It allows for the incorporation of well-specific efficiencies and multiple reference genes. The method does not necessitate the pairing of samples that must be performed using traditional analysis methods in order to calculate relative expression ratios. Our method is also simple enough to be implemented in any spreadsheet or statistical software without additional scripts or proprietary components.

CudaChain: an alternative algorithm for finding 2D convex hulls on the GPU.

PubMed

Mei, Gang

2016-01-01

This paper presents an alternative GPU-accelerated convex hull algorithm and a novel S orting-based P reprocessing A pproach (SPA) for planar point sets. The proposed convex hull algorithm termed as CudaChain consists of two stages: (1) two rounds of preprocessing performed on the GPU and (2) the finalization of calculating the expected convex hull on the CPU. Those interior points locating inside a quadrilateral formed by four extreme points are first discarded, and then the remaining points are distributed into several (typically four) sub regions. For each subset of points, they are first sorted in parallel; then the second round of discarding is performed using SPA; and finally a simple chain is formed for the current remaining points. A simple polygon can be easily generated by directly connecting all the chains in sub regions. The expected convex hull of the input points can be finally obtained by calculating the convex hull of the simple polygon. The library Thrust is utilized to realize the parallel sorting, reduction, and partitioning for better efficiency and simplicity. Experimental results show that: (1) SPA can very effectively detect and discard the interior points; and (2) CudaChain achieves 5×-6× speedups over the famous Qhull implementation for 20M points.

A Note on Monotonicity Assumptions for Exact Unconditional Tests in Binary Matched-pairs Designs

PubMed Central

Li, Xiaochun; Liu, Mengling; Goldberg, Judith D.

2011-01-01

Summary Exact unconditional tests have been widely applied to test the difference between two probabilities for 2×2 matched-pairs binary data with small sample size. In this context, Lloyd (2008, Biometrics 64, 716–723) proposed an E + M p-value, that showed better performance than the existing M p-value and C p-value. However, the analytical calculation of the E + M p-value requires that the Barnard convexity condition be satisfied; this can be challenging to prove theoretically. In this paper, by a simple reformulation, we show that a weaker condition, conditional monotonicity, is sufficient to calculate all three p-values (M, C and E + M) and their corresponding exact sizes. Moreover, this conditional monotonicity condition is applicable to non-inferiority tests. PMID:21466507

Gravitational microlensing of gamma-ray bursts

NASA Technical Reports Server (NTRS)

Mao, Shude

1993-01-01

A Monte Carlo code is developed to calculate gravitational microlensing in three dimensions when the lensing optical depth is low or moderate (not greater than 0.25). The code calculates positions of microimages and time delays between the microimages. The majority of lensed gamma-ray bursts should show a simple double-burst structure, as predicted by a single point mass lens model. A small fraction should show complicated multiple events due to the collective effects of several point masses (black holes). Cosmological models with a significant fraction of mass density in massive compact objects can be tested by searching for microlensing events in the current BATSE data. Our catalog generated by 10,000 Monte Carlo models is accessible through the computer network. The catalog can be used to take realistic selection effects into account.

Calculation of stochastic broadening due to low mn magnetic perturbation in the simple map in action-angle coordinates

NASA Astrophysics Data System (ADS)

Hinton, Courtney; Punjabi, Alkesh; Ali, Halima

2009-11-01

The simple map is the simplest map that has topology of divertor tokamaks [A. Punjabi, H. Ali, T. Evans, and A. Boozer, Phys. Let. A 364, 140--145 (2007)]. Recently, the action-angle coordinates for simple map are analytically calculated, and simple map is constructed in action-angle coordinates [O. Kerwin, A. Punjabi, and H. Ali, Phys. Plasmas 15, 072504 (2008)]. Action-angle coordinates for simple map cannot be inverted to real space coordinates (R,Z). Because there is logarithmic singularity on the ideal separatrix, trajectories cannot cross separatrix [op cit]. Simple map in action-angle coordinates is applied to calculate stochastic broadening due to the low mn magnetic perturbation with mode numbers m=1, and n=±1. The width of stochastic layer near the X-point scales as 0.63 power of the amplitude δ of low mn perturbation, toroidal flux loss scales as 1.16 power of δ, and poloidal flux loss scales as 1.26 power of δ. Scaling of width deviates from Boozer-Rechester scaling by 26% [A. Boozer, and A. Rechester, Phys. Fluids 21, 682 (1978)]. This work is supported by US Department of Energy grants DE-FG02-07ER54937, DE-FG02-01ER54624 and DE-FG02-04ER54793.

A simple performance calculation method for LH2/LOX engines with different power cycles

NASA Technical Reports Server (NTRS)

Schmucker, R. H.

1973-01-01

A simple method for the calculation of the specific impulse of an engine with a gas generator cycle is presented. The solution is obtained by a power balance between turbine and pump. Approximate equations for the performance of the combustion products of LH2/LOX are derived. Performance results are compared with solutions of different engine types.

Nomogram for sample size calculation on a straightforward basis for the kappa statistic.

PubMed

Hong, Hyunsook; Choi, Yunhee; Hahn, Seokyung; Park, Sue Kyung; Park, Byung-Joo

2014-09-01

Kappa is a widely used measure of agreement. However, it may not be straightforward in some situation such as sample size calculation due to the kappa paradox: high agreement but low kappa. Hence, it seems reasonable in sample size calculation that the level of agreement under a certain marginal prevalence is considered in terms of a simple proportion of agreement rather than a kappa value. Therefore, sample size formulae and nomograms using a simple proportion of agreement rather than a kappa under certain marginal prevalences are proposed. A sample size formula was derived using the kappa statistic under the common correlation model and goodness-of-fit statistic. The nomogram for the sample size formula was developed using SAS 9.3. The sample size formulae using a simple proportion of agreement instead of a kappa statistic and nomograms to eliminate the inconvenience of using a mathematical formula were produced. A nomogram for sample size calculation with a simple proportion of agreement should be useful in the planning stages when the focus of interest is on testing the hypothesis of interobserver agreement involving two raters and nominal outcome measures. Copyright © 2014 Elsevier Inc. All rights reserved.

A dynamic model for tumour growth and metastasis formation.

PubMed

Haustein, Volker; Schumacher, Udo

2012-07-05

A simple and fast computational model to describe the dynamics of tumour growth and metastasis formation is presented. The model is based on the calculation of successive generations of tumour cells and enables one to describe biologically important entities like tumour volume, time point of 1st metastatic growth or number of metastatic colonies at a given time. The model entirely relies on the chronology of these successive events of the metastatic cascade. The simulation calculations were performed for two embedded growth models to describe the Gompertzian like growth behaviour of tumours. The initial training of the models was carried out using an analytical solution for the size distribution of metastases of a hepatocellular carcinoma. We then show the applicability of our models to clinical data from the Munich Cancer Registry. Growth and dissemination characteristics of metastatic cells originating from cells in the primary breast cancer can be modelled thus showing its ability to perform systematic analyses relevant for clinical breast cancer research and treatment. In particular, our calculations show that generally metastases formation has already been initiated before the primary can be detected clinically.

A dynamic model for tumour growth and metastasis formation

PubMed Central

2012-01-01

A simple and fast computational model to describe the dynamics of tumour growth and metastasis formation is presented. The model is based on the calculation of successive generations of tumour cells and enables one to describe biologically important entities like tumour volume, time point of 1st metastatic growth or number of metastatic colonies at a given time. The model entirely relies on the chronology of these successive events of the metastatic cascade. The simulation calculations were performed for two embedded growth models to describe the Gompertzian like growth behaviour of tumours. The initial training of the models was carried out using an analytical solution for the size distribution of metastases of a hepatocellular carcinoma. We then show the applicability of our models to clinical data from the Munich Cancer Registry. Growth and dissemination characteristics of metastatic cells originating from cells in the primary breast cancer can be modelled thus showing its ability to perform systematic analyses relevant for clinical breast cancer research and treatment. In particular, our calculations show that generally metastases formation has already been initiated before the primary can be detected clinically. PMID:22548735

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

Gavignet, A.A.; Wick, C.J.

In current practice, pressure drops in the mud circulating system and the settling velocity of cuttings are calculated with simple rheological models and simple equations. Wellsite computers now allow more sophistication in drilling computations. In this paper, experimental results on the settling velocity of spheres in drilling fluids are reported, along with rheograms done over a wide range of shear rates. The flow curves are fitted to polynomials and general methods are developed to predict friction losses and settling velocities as functions of the polynomial coefficients. These methods were incorporated in a software package that can handle any rig configurationmore » system, including riser booster. Graphic displays show the effect of each parameter on the performance of the circulating system.« less

Derivation of the threshold condition for the ion temperature gradient mode with an inverted density profile from a simple physics picture

NASA Astrophysics Data System (ADS)

Jhang, Hogun

2018-05-01

We show that the threshold condition for the toroidal ion temperature gradient (ITG) mode with an inverted density profile can be derived from a simple physics argument. The key in this picture is that the density inversion reduces the ion compression due to the ITG mode and the electron drift motion mitigates the poloidal potential build-up. This condition reproduces the same result that has been reported from a linear gyrokinetic calculation [T. S. Hahm and W. M. Tang, Phys. Fluids B 1, 1185 (1989)]. The destabilizing role of trapped electrons in toroidal geometry is easily captured in this picture.

Understanding and comparisons of different sampling approaches for the Fourier Amplitudes Sensitivity Test (FAST)

PubMed Central

Xu, Chonggang; Gertner, George

2013-01-01

Fourier Amplitude Sensitivity Test (FAST) is one of the most popular uncertainty and sensitivity analysis techniques. It uses a periodic sampling approach and a Fourier transformation to decompose the variance of a model output into partial variances contributed by different model parameters. Until now, the FAST analysis is mainly confined to the estimation of partial variances contributed by the main effects of model parameters, but does not allow for those contributed by specific interactions among parameters. In this paper, we theoretically show that FAST analysis can be used to estimate partial variances contributed by both main effects and interaction effects of model parameters using different sampling approaches (i.e., traditional search-curve based sampling, simple random sampling and random balance design sampling). We also analytically calculate the potential errors and biases in the estimation of partial variances. Hypothesis tests are constructed to reduce the effect of sampling errors on the estimation of partial variances. Our results show that compared to simple random sampling and random balance design sampling, sensitivity indices (ratios of partial variances to variance of a specific model output) estimated by search-curve based sampling generally have higher precision but larger underestimations. Compared to simple random sampling, random balance design sampling generally provides higher estimation precision for partial variances contributed by the main effects of parameters. The theoretical derivation of partial variances contributed by higher-order interactions and the calculation of their corresponding estimation errors in different sampling schemes can help us better understand the FAST method and provide a fundamental basis for FAST applications and further improvements. PMID:24143037

Understanding and comparisons of different sampling approaches for the Fourier Amplitudes Sensitivity Test (FAST).

PubMed

Xu, Chonggang; Gertner, George

2011-01-01

Fourier Amplitude Sensitivity Test (FAST) is one of the most popular uncertainty and sensitivity analysis techniques. It uses a periodic sampling approach and a Fourier transformation to decompose the variance of a model output into partial variances contributed by different model parameters. Until now, the FAST analysis is mainly confined to the estimation of partial variances contributed by the main effects of model parameters, but does not allow for those contributed by specific interactions among parameters. In this paper, we theoretically show that FAST analysis can be used to estimate partial variances contributed by both main effects and interaction effects of model parameters using different sampling approaches (i.e., traditional search-curve based sampling, simple random sampling and random balance design sampling). We also analytically calculate the potential errors and biases in the estimation of partial variances. Hypothesis tests are constructed to reduce the effect of sampling errors on the estimation of partial variances. Our results show that compared to simple random sampling and random balance design sampling, sensitivity indices (ratios of partial variances to variance of a specific model output) estimated by search-curve based sampling generally have higher precision but larger underestimations. Compared to simple random sampling, random balance design sampling generally provides higher estimation precision for partial variances contributed by the main effects of parameters. The theoretical derivation of partial variances contributed by higher-order interactions and the calculation of their corresponding estimation errors in different sampling schemes can help us better understand the FAST method and provide a fundamental basis for FAST applications and further improvements.

The numerical solution of linear multi-term fractional differential equations: systems of equations

NASA Astrophysics Data System (ADS)

Edwards, John T.; Ford, Neville J.; Simpson, A. Charles

2002-11-01

In this paper, we show how the numerical approximation of the solution of a linear multi-term fractional differential equation can be calculated by reduction of the problem to a system of ordinary and fractional differential equations each of order at most unity. We begin by showing how our method applies to a simple class of problems and we give a convergence result. We solve the Bagley Torvik equation as an example. We show how the method can be applied to a general linear multi-term equation and give two further examples.

A simple thermodynamic model useful for calculating gas solubilities in water/brine/hydrocarbon mixtures from 0 to 250 C and 1 to 150 bars

NASA Astrophysics Data System (ADS)

Perez, R. J.; Shevalier, M.; Hutcheon, I.

2004-05-01

Gas solubility is of considerable interest, not only for the theoretical understanding of vapor-liquid equilibria, but also due to extensive applications in combined geochemical, engineering, and environmental problems, such as greenhouse gas sequestration. Reliable models for gas solubility calculations in salt waters and hydrocarbons are also valuable when evaluating fluid inclusions saturated with gas components. We have modeled the solubility of methane, ethane, hydrogen, carbon dioxide, hydrogen sulfide, and five other gases in a water-brine-hydrocarbon system by solving a non-linear system of equations composed by modified Henry's Law Constants (HLC), gas fugacities, and assuming binary mixtures. HLCs are a function of pressure, temperature, brine salinity, and hydrocarbon density. Experimental data of vapor pressures and mutual solubilities of binary mixtures provide the basis for the calibration of the proposed model. It is demonstrated that, by using the Setchenow equation, only a relatively simple modification of the pure water model is required to assess the solubility of gases in brine solutions. Henry's Law constants for gases in hydrocarbons are derived using regular solution theory and Ostwald coefficients available from the literature. We present a set of two-parameter polynomial expressions, which allow simple computation and formulation of the model. Our calculations show that solubility predictions using modified HLCs are acceptable within 0 to 250 C, 1 to 150 bars, salinity up to 5 molar, and gas concentrations up to 4 molar. Our model is currently being used in the IEA Weyburn CO2 monitoring and storage project.

Inter-rater reliability of h-index scores calculated by Web of Science and Scopus for clinical epidemiology scientists.

PubMed

Walker, Benjamin; Alavifard, Sepand; Roberts, Surain; Lanes, Andrea; Ramsay, Tim; Boet, Sylvain

2016-06-01

We investigated the inter-rater reliability of Web of Science (WoS) and Scopus when calculating the h-index of 25 senior scientists in the Clinical Epidemiology Program of the Ottawa Hospital Research Institute. Bibliometric information and the h-indices for the subjects were computed by four raters using the automatic calculators in WoS and Scopus. Correlation and agreement between ratings was assessed using Spearman's correlation coefficient and a Bland-Altman plot, respectively. Data could not be gathered from Google Scholar due to feasibility constraints. The Spearman's rank correlation between the h-index of scientists calculated with WoS was 0.81 (95% CI 0.72-0.92) and with Scopus was 0.95 (95% CI 0.92-0.99). The Bland-Altman plot showed no significant rater bias in WoS and Scopus; however, the agreement between ratings is higher in Scopus compared to WoS. Our results showed a stronger relationship and increased agreement between raters when calculating the h-index of a scientist using Scopus compared to WoS. The higher inter-rater reliability and simple user interface used in Scopus may render it the more effective database when calculating the h-index of senior scientists in epidemiology. © 2016 Health Libraries Group.

Dust formation in LBV envelopes

NASA Astrophysics Data System (ADS)

Gail, H.-P.; Duschl, W. J.; Ferrarotti, A. S.; Weis, K.

2005-09-01

The condensation process for the peculiar element mixture of CNO cycle processed material in the pre-SN ejecta of massive stars is investigated. From thermodynamic equilibrium calculations it is shown that the most likely solids to be formed in CNO process equilibrated materials are solid FeSi, metallic Fe, and small quantities of forsterite (Mg2SiO4). Nucleation may be triggered by TiC. Some SiC may be formed by non-equilibrium condensation. As a case study for these substances the non-equilibrium dust condensation in the outflow is calculated for a simple stationary wind model which shows, that these dust species indeed can be formed in the ejecta.

A simple spectral model of the dynamics of the Venus ionosphere

NASA Technical Reports Server (NTRS)

Singhal, R. P.; Whitten, R. C.

1987-01-01

A two-dimensional model of the ionosphere of Venus has been constructed by expanding pertinent quantities in Legendre polynomials. The model is simplified by including only a single ion species, O(+). Horizontal plasma flow velocity and plasma density have been calculated as a coupled system. The calculated plasma flow velocity is found to be in good agreement with observations and the results of earlier studies. Solar zenith angle dependence of plasma density, particularly on the nightside, shows some features which differ from results of earlier studies and observed values. Effects of raising or lowering the ionopause height and changing the nightside neutral atmosphere have been discussed.

Implementation of density functional theory method on object-oriented programming (C++) to calculate energy band structure using the projector augmented wave (PAW)

NASA Astrophysics Data System (ADS)

Alfianto, E.; Rusydi, F.; Aisyah, N. D.; Fadilla, R. N.; Dipojono, H. K.; Martoprawiro, M. A.

2017-05-01

This study implemented DFT method into the C++ programming language with object-oriented programming rules (expressive software). The use of expressive software results in getting a simple programming structure, which is similar to mathematical formula. This will facilitate the scientific community to develop the software. We validate our software by calculating the energy band structure of Silica, Carbon, and Germanium with FCC structure using the Projector Augmented Wave (PAW) method then compare the results to Quantum Espresso calculation’s results. This study shows that the accuracy of the software is 85% compared to Quantum Espresso.

Method for calculation of light field characteristics in optical diagnosis problems and personalized laser treatment of biological tissues

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2013-05-01

We have developed a simple method for solving the radiation transport equation, permitting us to rapidly calculate (with accuracy acceptable in practice) the diffuse reflection coeffi cient for a broad class of biological tissues in the spectral region of strong and weak absorption of light, and also the light flux distribution over the depth of the tissue. We show that it is feasible to use the proposed method for quantitative estimates of tissue parameters from its diffuse reflectance spectrum and also for selecting the irradiation dose which is optimal for a specifi c patient in laser therapy for various diseases.

Simple approximation of total emissivity of CO2-H2O mixture used in the zonal method of calculation of heat transfer by radiation

NASA Astrophysics Data System (ADS)

Lisienko, V. G.; Malikov, G. K.; Titaev, A. A.

2014-12-01

The paper presents a new simple-to-use expression to calculate the total emissivity of a mixture of gases CO2 and H2O used for modeling heat transfer by radiation in industrial furnaces. The accuracy of this expression is evaluated using the exponential wide band model. It is found that the time taken to calculate the total emissivity in this expression is 1.5 times less than in other approximation methods.

Mutual influence of molecular diffusion in gas and surface phases

NASA Astrophysics Data System (ADS)

Hori, Takuma; Kamino, Takafumi; Yoshimoto, Yuta; Takagi, Shu; Kinefuchi, Ikuya

2018-01-01

We develop molecular transport simulation methods that simultaneously deal with gas- and surface-phase diffusions to determine the effect of surface diffusion on the overall diffusion coefficients. The phenomenon of surface diffusion is incorporated into the test particle method and the mean square displacement method, which are typically employed only for gas-phase transport. It is found that for a simple cylindrical pore, the diffusion coefficients in the presence of surface diffusion calculated by these two methods show good agreement. We also confirm that both methods reproduce the analytical solution. Then, the diffusion coefficients for ink-bottle-shaped pores are calculated using the developed method. Our results show that surface diffusion assists molecular transport in the gas phase. Moreover, the surface tortuosity factor, which is known to be uniquely determined by physical structure, is influenced by the presence of gas-phase diffusion. This mutual influence of gas-phase diffusion and surface diffusion indicates that their simultaneous calculation is necessary for an accurate evaluation of the diffusion coefficients.

Planning fuel-conservative descents in an airline environmental using a small programmable calculator: Algorithm development and flight test results

NASA Technical Reports Server (NTRS)

Knox, C. E.; Vicroy, D. D.; Simmon, D. A.

1985-01-01

A simple, airborne, flight-management descent algorithm was developed and programmed into a small programmable calculator. The algorithm may be operated in either a time mode or speed mode. The time mode was designed to aid the pilot in planning and executing a fuel-conservative descent to arrive at a metering fix at a time designated by the air traffic control system. The speed model was designed for planning fuel-conservative descents when time is not a consideration. The descent path for both modes was calculated for a constant with considerations given for the descent Mach/airspeed schedule, gross weight, wind, wind gradient, and nonstandard temperature effects. Flight tests, using the algorithm on the programmable calculator, showed that the open-loop guidance could be useful to airline flight crews for planning and executing fuel-conservative descents.

Planning fuel-conservative descents in an airline environmental using a small programmable calculator: algorithm development and flight test results

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

Knox, C.E.; Vicroy, D.D.; Simmon, D.A.

A simple, airborne, flight-management descent algorithm was developed and programmed into a small programmable calculator. The algorithm may be operated in either a time mode or speed mode. The time mode was designed to aid the pilot in planning and executing a fuel-conservative descent to arrive at a metering fix at a time designated by the air traffic control system. The speed model was designed for planning fuel-conservative descents when time is not a consideration. The descent path for both modes was calculated for a constant with considerations given for the descent Mach/airspeed schedule, gross weight, wind, wind gradient, andmore » nonstandard temperature effects. Flight tests, using the algorithm on the programmable calculator, showed that the open-loop guidance could be useful to airline flight crews for planning and executing fuel-conservative descents.« less

Simple microfluidic stagnation point flow geometries

PubMed Central

Dockx, Greet; Verwijlen, Tom; Sempels, Wouter; Nagel, Mathias; Moldenaers, Paula; Hofkens, Johan; Vermant, Jan

2016-01-01

A geometrically simple flow cell is proposed to generate different types of stagnation flows, using a separation flow and small variations of the geometric parameters. Flows with high local deformation rates can be changed from purely rotational, over simple shear flow, to extensional flow in a region surrounding a stagnation point. Computational fluid dynamic calculations are used to analyse how variations of the geometrical parameters affect the flow field. These numerical calculations are compared to the experimentally obtained streamlines of different designs, which have been determined by high speed confocal microscopy. As the flow type is dictated predominantly by the geometrical parameters, such simple separating flow devices may alleviate the requirements for flow control, while offering good stability for a wide variety of flow types. PMID:27462382

A fast, low resistance switch for small slapper detonators

NASA Astrophysics Data System (ADS)

Richardson, D. D.; Jones, D. A.

1986-10-01

A novel design for a shock compression conduction switch for use with slapper detonators is described. The switch is based on the concept of an explosively driven flyer plate impacting a plastic insulator and producing sufficient pressure within the insulator to produce a conduction transition. An analysis of the functioning of the switch is made using a simple Gurney model for the explosive, and basic shock wave theory to calculate impact pressure and switch closure times. The effect of explosive tamping is considered, and calculations are carried out for two donor explosive thicknesses and a range of flyer plate thicknesses. The new switch has been successfully tested in a series of experimental slapper detonator firings. The results of these tests show trends in overall agreement with those predicted by the calculations.

Effects of chirp on two-dimensional Fourier transform electronic spectra.

PubMed

Tekavec, Patrick F; Myers, Jeffrey A; Lewis, Kristin L M; Fuller, Franklin D; Ogilvie, Jennifer P

2010-05-24

We examine the effect that pulse chirp has on the shape of two- dimensional electronic spectra through calculations and experiments. For the calculations we use a model two electronic level system with a solvent interaction represented by a simple Gaussian correlation function and compare the resulting spectra to experiments carried out on an organic dye molecule (Rhodamine 800). Both calculations and experiments show that distortions due to chirp are most significant when the pulses used in the experiment have different amounts of chirp, introducing peak shape asymmetry that could be interpreted as spectrally dependent relaxation. When all pulses have similar chirp the distortions are reduced but still affect the anti-diagonal symmetry of the peak shapes and introduce negative features that could be interpreted as excited state absorption.

Control of the orbital ordering in manganite superlattices and impact on properties

NASA Astrophysics Data System (ADS)

Koçak, Ayşegül Begüm; Varignon, Julien; Lemal, Sébastien; Ghosez, Philippe; Lepetit, Marie-Bernadette

2017-09-01

The present paper theoretically studies the possibility to control the orbital ordering in manganite superlattices. Indeed, favored dz2eg -orbital occupancy is one of the proposed interpretations for the formation of a "dead" layer at the interfaces in manganite thin films and superlattices. We show here that favored dz2eg -orbital occupancy at the interfaces can be prevented by using alkaline-earth simple oxides as alternating layers in very thin superlattices. Such an alternating layer promotes the contraction of the manganite layers at the interfaces and favors a dx2-y2eg orbital occupancy. This result holds for different manganites, different alkaline-earth simple oxides, as well as different thicknesses of the two layers. While Boltzmann's transport calculations on different superlattices show unexpectedly only weak dependence of the electrical conductivity on the orbital ordering, the enhanced occupation of the dx2-y2 orbital should result in an increased Curie temperature.

Temperature-dependent layer breathing modes in two-dimensional materials

NASA Astrophysics Data System (ADS)

Maity, Indrajit; Maiti, Prabal K.; Jain, Manish

2018-04-01

Relative out-of-plane displacements of the constituent layers of two-dimensional materials give rise to unique low-frequency breathing modes. By computing the height-height correlation functions from molecular dynamics simulations, we show that the layer breathing modes (LBMs) can be mapped consistently to vibrations of a simple linear chain model. Our calculated thickness dependence of LBM frequencies for few-layer (FL) graphene and molybdenum disulfide (MoS2) are in excellent agreement with available experiments. Our results show a redshift of LBM frequency with an increase in temperature, which is a direct consequence of anharmonicities present in the interlayer interaction. We also predict the thickness and temperature dependence of LBM frequencies for FL hexagonal boron nitride. Our Rapid Communication provides a simple and efficient way to probe the interlayer interaction for layered materials and their heterostructures with the inclusion of anharmonic effects.

High Temperature Gas Energy Transfer.

DTIC Science & Technology

1982-08-15

will be made. A theoretical model has been applied to the calculation of energy transfer amounts between molecules as a function of molecular size... theoretical analysis was given of shock tube data for high temperature gas reactions. The data were analyzed to show that colli- sional energy transfer...Systems by I. Oref and B. S. Rabiovitch. In this report a simple theoretical model describing energy transfer probabilities is given. Conservation of

Worldwide Report, Arms Control.

DTIC Science & Technology

1985-04-09

is necessary to take care about the creation of the appropriate psychological and political atmosphere, to show a definite restraint. However as it...tension and pur- suing power politics. These are all signs of an old syndrome — the yearning for military superiority. Now that rough military-strategic...strategic aspects of these plans, the psychological calculation of the president and his aides was simple and very precise. It cannot be bad, surely

Upgrades to the REA method for producing probabilistic climate change projections

NASA Astrophysics Data System (ADS)

Xu, Ying; Gao, Xuejie; Giorgi, Filippo

2010-05-01

We present an augmented version of the Reliability Ensemble Averaging (REA) method designed to generate probabilistic climate change information from ensembles of climate model simulations. Compared to the original version, the augmented one includes consideration of multiple variables and statistics in the calculation of the performance-based weights. In addition, the model convergence criterion previously employed is removed. The method is applied to the calculation of changes in mean and variability for temperature and precipitation over different sub-regions of East Asia based on the recently completed CMIP3 multi-model ensemble. Comparison of the new and old REA methods, along with the simple averaging procedure, and the use of different combinations of performance metrics shows that at fine sub-regional scales the choice of weighting is relevant. This is mostly because the models show a substantial spread in performance for the simulation of precipitation statistics, a result that supports the use of model weighting as a useful option to account for wide ranges of quality of models. The REA method, and in particular the upgraded one, provides a simple and flexible framework for assessing the uncertainty related to the aggregation of results from ensembles of models in order to produce climate change information at the regional scale. KEY WORDS: REA method, Climate change, CMIP3

Colloidal nanocrystals as LEGO® bricks for building electronic band structure models.

PubMed

Tadjine, Athmane; Delerue, Christophe

2018-03-28

The synthesis of self-assembled semiconductor nanocrystal (NC) superlattices using oriented attachment recently became a flourishing research topic. This technique already produced remarkable forms of NC superlattices, such as linear chains, mono and multilayer square lattices, and silicene-like honeycomb lattices. In the case of lead chalcogenide semiconductors where NCs are in the form of truncated nanocubes, the attachment mostly occurs via (100) facets. In this work, we show that all these structures can be seen as sub-structures of a simple cubic lattice. From this, we investigate a rich variety of one-dimensional or two-dimensional superlattices that could be built as few lines or few layers taken from the same cubic system following different crystallographic orientations. Each NC can be therefore considered as a LEGO® brick, and any superlattice can be obtained from another one by rearranging the bricks. Moreover, we show that this concept of LEGO® bricks can be extended to the calculation of the electronic band structure of the superlattices. This leads to a simple yet powerful way to build analytical Hamiltonians that present band structures in excellent agreement with more elaborate atomistic tight-binding calculations. This LEGO® concept could guide the synthesis of superlattices and LEGO® Hamiltonians should greatly simplify further studies on the (opto-)electronic properties of such structures.

New Tools to Prepare ACE Cross-section Files for MCNP Analytic Test Problems

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

Brown, Forrest B.

Monte Carlo calculations using one-group cross sections, multigroup cross sections, or simple continuous energy cross sections are often used to: (1) verify production codes against known analytical solutions, (2) verify new methods and algorithms that do not involve detailed collision physics, (3) compare Monte Carlo calculation methods with deterministic methods, and (4) teach fundamentals to students. In this work we describe 2 new tools for preparing the ACE cross-section files to be used by MCNP ® for these analytic test problems, simple_ace.pl and simple_ace_mg.pl.

Reading Aloud and Solving Simple Arithmetic Calculation Intervention (Learning Therapy) Improves Inhibition, Verbal Episodic Memory, Focus Attention and Processing Speed in Healthy Elderly People: Evidence from a Randomized Controlled Trial

PubMed Central

Nouchi, Rui; Taki, Yasuyuki; Takeuchi, Hikaru; Nozawa, Takayuki; Sekiguchi, Atsushi; Kawashima, Ryuta

2016-01-01

Background: Previous reports have described that simple cognitive training using reading aloud and solving simple arithmetic calculations, so-called “learning therapy”, can improve executive functions and processing speed in the older adults. Nevertheless, it is not well-known whether learning therapy improve a wide range of cognitive functions or not. We investigated the beneficial effects of learning therapy on various cognitive functions in healthy older adults. Methods: We used a single-blinded intervention with two groups (learning therapy group: LT and waiting list control group: WL). Sixty-four elderly were randomly assigned to LT or WL. In LT, participants performed reading Japanese aloud and solving simple calculations training tasks for 6 months. WL did not participate in the intervention. We measured several cognitive functions before and after 6 months intervention periods. Results: Compared to WL, results revealed that LT improved inhibition performance in executive functions (Stroop: LT (Mean = 3.88) vs. WL (Mean = 1.22), adjusted p = 0.013 and reverse Stroop LT (Mean = 3.22) vs. WL (Mean = 1.59), adjusted p = 0.015), verbal episodic memory (Logical Memory (LM): LT (Mean = 4.59) vs. WL (Mean = 2.47), adjusted p = 0.015), focus attention (D-CAT: LT (Mean = 2.09) vs. WL (Mean = −0.59), adjusted p = 0.010) and processing speed compared to the WL control group (digit symbol coding: LT (Mean = 5.00) vs. WL (Mean = 1.13), adjusted p = 0.015 and Symbol Search (SS): LT (Mean = 3.47) vs. WL (Mean = 1.81), adjusted p = 0.014). Discussion: This randomized controlled trial (RCT) can be showed the benefit of LT on inhibition of executive functions, verbal episodic memory, focus attention and processing speed in healthy elderly people. Our results were discussed under overlapping hypothesis. PMID:27242481

Reading Aloud and Solving Simple Arithmetic Calculation Intervention (Learning Therapy) Improves Inhibition, Verbal Episodic Memory, Focus Attention and Processing Speed in Healthy Elderly People: Evidence from a Randomized Controlled Trial.

PubMed

Nouchi, Rui; Taki, Yasuyuki; Takeuchi, Hikaru; Nozawa, Takayuki; Sekiguchi, Atsushi; Kawashima, Ryuta

2016-01-01

Previous reports have described that simple cognitive training using reading aloud and solving simple arithmetic calculations, so-called "learning therapy", can improve executive functions and processing speed in the older adults. Nevertheless, it is not well-known whether learning therapy improve a wide range of cognitive functions or not. We investigated the beneficial effects of learning therapy on various cognitive functions in healthy older adults. We used a single-blinded intervention with two groups (learning therapy group: LT and waiting list control group: WL). Sixty-four elderly were randomly assigned to LT or WL. In LT, participants performed reading Japanese aloud and solving simple calculations training tasks for 6 months. WL did not participate in the intervention. We measured several cognitive functions before and after 6 months intervention periods. Compared to WL, results revealed that LT improved inhibition performance in executive functions (Stroop: LT (Mean = 3.88) vs. WL (Mean = 1.22), adjusted p = 0.013 and reverse Stroop LT (Mean = 3.22) vs. WL (Mean = 1.59), adjusted p = 0.015), verbal episodic memory (Logical Memory (LM): LT (Mean = 4.59) vs. WL (Mean = 2.47), adjusted p = 0.015), focus attention (D-CAT: LT (Mean = 2.09) vs. WL (Mean = -0.59), adjusted p = 0.010) and processing speed compared to the WL control group (digit symbol coding: LT (Mean = 5.00) vs. WL (Mean = 1.13), adjusted p = 0.015 and Symbol Search (SS): LT (Mean = 3.47) vs. WL (Mean = 1.81), adjusted p = 0.014). This randomized controlled trial (RCT) can be showed the benefit of LT on inhibition of executive functions, verbal episodic memory, focus attention and processing speed in healthy elderly people. Our results were discussed under overlapping hypothesis.

Evaluation of SimpleTreat 4.0: Simulations of pharmaceutical removal in wastewater treatment plant facilities.

PubMed

Lautz, L S; Struijs, J; Nolte, T M; Breure, A M; van der Grinten, E; van de Meent, D; van Zelm, R

2017-02-01

In this study, the removal of pharmaceuticals from wastewater as predicted by SimpleTreat 4.0 was evaluated. Field data obtained from literature of 43 pharmaceuticals, measured in 51 different activated sludge WWTPs were used. Based on reported influent concentrations, the effluent concentrations were calculated with SimpleTreat 4.0 and compared to measured effluent concentrations. The model predicts effluent concentrations mostly within a factor of 10, using the specific WWTP parameters as well as SimpleTreat default parameters, while it systematically underestimates concentrations in secondary sludge. This may be caused by unexpected sorption, resulting from variability in WWTP operating conditions, and/or QSAR applicability domain mismatch and background concentrations prior to measurements. Moreover, variability in detection techniques and sampling methods can cause uncertainty in measured concentration levels. To find possible structural improvements, we also evaluated SimpleTreat 4.0 using several specific datasets with different degrees of uncertainty and variability. This evaluation verified that the most influencing parameters for water effluent predictions were biodegradation and the hydraulic retention time. Results showed that model performance is highly dependent on the nature and quality, i.e. degree of uncertainty, of the data. The default values for reactor settings in SimpleTreat result in realistic predictions. Copyright © 2016 Elsevier Ltd. All rights reserved.

The Low-Noise Potential of Distributed Propulsion on a Catamaran Aircraft

NASA Technical Reports Server (NTRS)

Posey, Joe W.; Tinetti, A. F.; Dunn, M. H.

2006-01-01

The noise shielding potential of an inboard-wing catamaran aircraft when coupled with distributed propulsion is examined. Here, only low-frequency jet noise from mid-wing-mounted engines is considered. Because low frequencies are the most difficult to shield, these calculations put a lower bound on the potential shielding benefit. In this proof-of-concept study, simple physical models are used to describe the 3-D scattering of jet noise by conceptualized catamaran aircraft. The Fast Scattering Code is used to predict noise levels on and about the aircraft. Shielding results are presented for several catamaran type geometries and simple noise source configurations representative of distributed propulsion radiation. Computational analyses are presented that demonstrate the shielding benefits of distributed propulsion and of increasing the width of the inboard wing. Also, sample calculations using the FSC are presented that demonstrate additional noise reduction on the aircraft fuselage by the use of acoustic liners on the inboard wing trailing edge. A full conceptual aircraft design would have to be analyzed over a complete mission to more accurately quantify community noise levels and aircraft performance, but the present shielding calculations show that a large acoustic benefit could be achieved by combining distributed propulsion and liner technology with a twin-fuselage planform.

Physical and optical properties of DCJTB dye for OLED display applications: Experimental and theoretical investigation

NASA Astrophysics Data System (ADS)

Kurban, Mustafa; Gündüz, Bayram

2017-06-01

In this study, 4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran (DCJTB) was achieved using the experimental and theoretical studies. The electronic, optical and spectroscopic properties of DCJTB molecule were first investigated by performing experimental both solution and thin film techniques and then theoretical calculations. Theoretical results showed that one intense electronic transition is 505.26 nm a quite reasonable and agreement with the measured experimental data 505.00 and 503 nm with solution technique and film technique, respectively. Experimental and simple models were also taken into consideration to calculate the optical refractive index (n) of DCJTB molecule. The structural and electronic properties were next calculated using density functional theory (DFT) with B3LYP/6-311G (d, p) basis set. UV, FT-IR spectra characteristics and the electronic properties, such as frontier orbitals, and band gap energy (Eg) of DCJTB were also recorded time-dependent (TD) DFT approach. The theoretical Eg value were found to be 2.269 eV which is consistent with experimental results obtained from solution technique for THF solvent (2.155 eV) and literature (2.16 eV). The results herein obtained reveal that solution is simple, cost-efficient and safe for optoelectronic applications when compared with film technique.

Numerical study of centrifugal compressor stage vaneless diffusers

NASA Astrophysics Data System (ADS)

Galerkin, Y.; Soldatova, K.; Solovieva, O.

2015-08-01

The authors analyzed CFD calculations of flow in vaneless diffusers with relative width in range from 0.014 to 0.100 at inlet flow angles in range from 100 to 450 with different inlet velocity coefficients, Reynolds numbers and surface roughness. The aim is to simulate calculated performances by simple algebraic equations. The friction coefficient that represents head losses as friction losses is proposed for simulation. The friction coefficient and loss coefficient are directly connected by simple equation. The advantage is that friction coefficient changes comparatively little in range of studied parameters. Simple equations for this coefficient are proposed by the authors. The simulation accuracy is sufficient for practical calculations. To create the complete algebraic model of the vaneless diffuser the authors plan to widen this method of modeling to diffusers with different relative length and for wider range of Reynolds numbers.

Summary of methods for calculating dynamic lateral stability and response and for estimating aerodynamic stability derivatives

NASA Technical Reports Server (NTRS)

Campbell, John P; Mckinney, Marion O

1952-01-01

A summary of methods for making dynamic lateral stability and response calculations and for estimating the aerodynamic stability derivatives required for use in these calculations is presented. The processes of performing calculations of the time histories of lateral motions, of the period and damping of these motions, and of the lateral stability boundaries are presented as a series of simple straightforward steps. Existing methods for estimating the stability derivatives are summarized and, in some cases, simple new empirical formulas are presented. Detailed estimation methods are presented for low-subsonic-speed conditions but only a brief discussion and a list of references are given for transonic and supersonic speed conditions.

Modeling photovoltaic performance in periodic patterned colloidal quantum dot solar cells.

PubMed

Fu, Yulan; Dinku, Abay G; Hara, Yukihiro; Miller, Christopher W; Vrouwenvelder, Kristina T; Lopez, Rene

2015-07-27

Colloidal quantum dot (CQD) solar cells have attracted tremendous attention mostly due to their wide absorption spectrum window and potentially low processability cost. The ultimate efficiency of CQD solar cells is highly limited by their high trap state density. Here we show that the overall device power conversion efficiency could be improved by employing photonic structures that enhance both charge generation and collection efficiencies. By employing a two-dimensional numerical model, we have calculated the characteristics of patterned CQD solar cells based of a simple grating structure. Our calculation predicts a power conversion efficiency as high as 11.2%, with a short circuit current density of 35.2 mA/cm2, a value nearly 1.5 times larger than the conventional flat design, showing the great potential value of patterned quantum dot solar cells.

Modelling the complete operation of a free-piston shock tunnel for a low enthalpy condition

NASA Astrophysics Data System (ADS)

McGilvray, M.; Dann, A. G.; Jacobs, P. A.

2013-07-01

Only a limited number of free-stream flow properties can be measured in hypersonic impulse facilities at the nozzle exit. This poses challenges for experimenters when subsequently analysing experimental data obtained from these facilities. Typically in a reflected shock tunnel, a simple analysis that requires small amounts of computational resources is used to calculate quasi-steady gas properties. This simple analysis requires initial fill conditions and experimental measurements in analytical calculations of each major flow process, using forward coupling with minor corrections to include processes that are not directly modeled. However, this simplistic approach leads to an unknown level of discrepancy to the true flow properties. To explore the simple modelling techniques accuracy, this paper details the use of transient one and two-dimensional numerical simulations of a complete facility to obtain more refined free-stream flow properties from a free-piston reflected shock tunnel operating at low-enthalpy conditions. These calculations were verified by comparison to experimental data obtained from the facility. For the condition and facility investigated, the test conditions at nozzle exit produced with the simple modelling technique agree with the time and space averaged results from the complete facility calculations to within the accuracy of the experimental measurements.

Friction on the Bond and the Vibrational Relaxation in Simple Liquids.

NASA Astrophysics Data System (ADS)

Mishra, Bimalendu Kumar

In chapter 1, the energy relaxation of a stiff Morse oscillator dissolved in a simple LJ fluid is calculated using a reversible integrator (r-RESPA) in molecular dynamics generated from the Trotter factorization of the classical propagator. We compare the "real" relaxation from full MD simulations with that predicted by the Generalized Langevin Equation (GLE) with memory friction determined from the full Molecular Dynamics for a series of fluid densities. It is found that the GLE gives very good agreement with MD for the vibrational energy relaxation for this nonlinear oscillator far from equilibrium only for high density fluids, but reduced densities rho < 0.5 the energy relaxation from the MD simulation becomes considered slower than that from the GLE. An analysis of the statistical properties of the random force shows that as the density is lowered the non-Gaussian behavior of the random force becomes more prominent. This behavior is consistent with a simple model in which the oscillator undergoes generalized Langevin dynamics between strong binary collisions with solvent atoms. In chapter 2, molecular hydrodynamics is used to calculate the memory friction on the intramolecular vibrational coordinate of a homonuclear diatomic molecule dissolved in a simple liquid. The predicted memory friction is then compared to recent computer experiments. Agreement with the experimental memory functions is obtained when the linearized hydrodynamics is modified to include gaussian viscoelasticity and compressibility. The hydrodynamic friction on the bond appears to agree qualitatively very well, although quantitative agreement is not found at high frequencies. Various limits of the hydrodynamic friction are discussed.

The structural properties of barium cobalt hexaferrite powder prepared by a simple heat treatment method

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

Chauhan, Chetna, E-mail: chetna.chauhan@nirmauni.ac.in; Jotania, Rajshree, E-mail: rbjotania@gmail.com

2016-05-06

The W-type barium hexaferrite was prepared using a simple heat treatment method. The precursor was calcinated at 650°C for 3 hours and then slowly cooled to room temperature in order to obtain barium cobalt hexaferrite powder. The prepared powder was characterised by different experimental techniques like XRD, FTIR and SEM. The X-ray diffractogram of the sample shows W-and M phases. The particle size calculated by Debye Scherrer formula. The FTIR spectra of the sample was taken at room temperature by using KBr pallet method which confirms the formation of hexaferrite phase. The morphological study on the hexaferrite powder was carriedmore » out by SEM analysis.« less

X-ray peak profile analysis of zinc oxide nanoparticles formed by simple precipitation method

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick Joaquin; Magdaluyo, Eduardo

2017-12-01

Zinc oxide (ZnO) nanoparticles were successfully synthesized by a simple precipitation method using zinc acetate and tetramethylammonium hydroxide. The synthesized ZnO nanoparticles were characterized by X-ray Diffraction analysis (XRD) and Transmission Electron Microscopy (TEM). The XRD result revealed a hexagonal wurtzite structure for the ZnO nanoparticles. The TEM image showed spherical nanoparticles with an average crystallite size of 6.70 nm. For x-ray peak analysis, Williamson-Hall (W-H) and Size-Strain Plot (SSP) methods were applied to examine the effects of crystallite size and lattice strain on the peak broadening of the ZnO nanoparticles. Based on the calculations, the estimated crystallite sizes and lattice strains obtained are in good agreement with each other.

Relativistic entanglement

NASA Astrophysics Data System (ADS)

Horwitz, Lawrence; Arshansky, Rafael I.

2018-07-01

The relativistic quantum theory of Stueckelberg, Horwitz and Piron (SHP) describes in a simple way the experiment on interference in time of an electron emitted by femtosecond laser pulses carried out by Lindner et al. In this paper, we show that, in a way similar to our study of the Lindner et al. experiment (with some additional discussion of the covariant quantum mechanical description of spin and angular momentum), the experiment proposed by Palacios et al. to demonstrate entanglement of a two electron state, where the electrons are separated in time of emission, has a consistent interpretation in terms of the SHP theory. We find, after a simple calculation, results in essential agreement with those of Palacios et al.; but with the observed times as values of proper quantum observables.

Dynamics of a parametrically excited simple pendulum

NASA Astrophysics Data System (ADS)

Depetri, Gabriela I.; Pereira, Felipe A. C.; Marin, Boris; Baptista, Murilo S.; Sartorelli, J. C.

2018-03-01

The dynamics of a parametric simple pendulum submitted to an arbitrary angle of excitation ϕ was investigated experimentally by simulations and analytically. Analytical calculations for the loci of saddle-node bifurcations corresponding to the creation of resonant orbits were performed by applying Melnikov's method. However, this powerful perturbative method cannot be used to predict the existence of odd resonances for a vertical excitation within first order corrections. Yet, we showed that period-3 resonances indeed exist in such a configuration. Two degenerate attractors of different phases, associated with the same loci of saddle-node bifurcations in parameter space, are reported. For tilted excitation, the degeneracy is broken due to an extra torque, which was confirmed by the calculation of two distinct loci of saddle-node bifurcations for each attractor. This behavior persists up to ϕ≈7 π/180 , and for inclinations larger than this, only one attractor is observed. Bifurcation diagrams were constructed experimentally for ϕ=π/8 to demonstrate the existence of self-excited resonances (periods smaller than three) and hidden oscillations (for periods greater than three).

Dynamics of a parametrically excited simple pendulum.

PubMed

Depetri, Gabriela I; Pereira, Felipe A C; Marin, Boris; Baptista, Murilo S; Sartorelli, J C

2018-03-01

The dynamics of a parametric simple pendulum submitted to an arbitrary angle of excitation ϕ was investigated experimentally by simulations and analytically. Analytical calculations for the loci of saddle-node bifurcations corresponding to the creation of resonant orbits were performed by applying Melnikov's method. However, this powerful perturbative method cannot be used to predict the existence of odd resonances for a vertical excitation within first order corrections. Yet, we showed that period-3 resonances indeed exist in such a configuration. Two degenerate attractors of different phases, associated with the same loci of saddle-node bifurcations in parameter space, are reported. For tilted excitation, the degeneracy is broken due to an extra torque, which was confirmed by the calculation of two distinct loci of saddle-node bifurcations for each attractor. This behavior persists up to ϕ≈7π/180, and for inclinations larger than this, only one attractor is observed. Bifurcation diagrams were constructed experimentally for ϕ=π/8 to demonstrate the existence of self-excited resonances (periods smaller than three) and hidden oscillations (for periods greater than three).

Room temperature current-voltage (I-V) characteristics of Ag/InGaN/n-Si Schottky barrier diode

NASA Astrophysics Data System (ADS)

Erdoğan, Erman; Kundakçı, Mutlu

2017-02-01

Metal-semiconductors (MSs) or Schottky barrier diodes (SBDs) have a significant potential in the integrated device technology. In the present paper, electrical characterization of Ag/InGaN/n-Si Schottky diode have been systematically carried out by simple Thermionic method (TE) and Norde function based on the I-V characteristics. Ag ohmic and schottky contacts are deposited on InGaN/n-Si film by thermal evaporation technique under a vacuum pressure of 1×10-5 mbar. Ideality factor, barrier height and series resistance values of this diode are determined from I-V curve. These parameters are calculated by TE and Norde methods and findings are given in a comparetive manner. The results show the consistency for both method and also good agreement with other results obtained in the literature. The value of ideality factor and barrier height have been determined to be 2.84 and 0.78 eV at room temperature using simple TE method. The value of barrier height obtained with Norde method is calculated as 0.79 eV.

Universal binding energy relations in metallic adhesion

NASA Technical Reports Server (NTRS)

Ferrante, J.; Smith, J. R.; Rose, J. J.

1984-01-01

Rose, Smith, and Ferrante have discovered scaling relations which map the adhesive binding energy calculated by Ferrante and Smith onto a single universal binding energy curve. These binding energies are calculated for all combinations of Al(111), Zn(0001), Mg(0001), and Na(110) in contact. The scaling involves normalizing the energy by the maximum binding energy and normalizing distances by a suitable combination of Thomas-Fermi screening lengths. Rose et al. have also found that the calculated cohesive energies of K, Ba, Cu, Mo, and Sm scale by similar simple relations, suggesting the universal relation may be more general than for the simple free electron metals for which it was derived. In addition, the scaling length was defined more generally in order to relate it to measurable physical properties. Further this universality can be extended to chemisorption. A simple and yet quite accurate prediction of a zero temperature equation of state (volume as a function of pressure for metals and alloys) is presented. Thermal expansion coefficients and melting temperatures are predicted by simple, analytic expressions, and results compare favorably with experiment for a broad range of metals.

76 FR 39242 - Federal Acquisition Regulation; TINA Interest Calculations

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-05

... pricing data. This rule replaces the term ``simple interest'' as the requirement for calculating interest...-AL73 Federal Acquisition Regulation; TINA Interest Calculations AGENCIES: Department of Defense (DoD... interest calculations be applied to Government overpayments as a result of defective cost or pricing data...

Absolute surface energy calculations of Wurtzite (0001)/(000-1): a study of ZnO and GaN

NASA Astrophysics Data System (ADS)

Zhang, Jingzhao; Zhang, Yiou; Tse, Kinfai; Deng, Bei; Xu, Hu; Zhu, Junyi

The accurate absolute surface energies of (0001)/(000-1) surfaces of wurtzite structures are crucial in determining the thin film growth mode of important energy materials. However, the surface energies still remain to be solved due to the intrinsic difficulty of calculating dangling bond energy of asymmetrically bonded surface atoms. We used a pseudo-hydrogen passivation method to estimate the dangling bond energy and calculate the polar surfaces of ZnO and GaN. The calculations were based on the pseudo chemical potentials obtained from a set of tetrahedral clusters or simple pseudo-molecules, using density functional theory approaches, for both GGA and HSE. And the surface energies of (0001)/(000-1) surfaces of wurtzite ZnO and GaN we obtained showed relatively high self-consistencies. A wedge structure calculation with a new bottom surface passivation scheme of group I and group VII elements was also proposed and performed to show converged absolute surface energy of wurtzite ZnO polar surfaces. Part of the computing resources was provided by the High Performance Cluster Computing Centre, Hong Kong Baptist University. This work was supported by the start-up funding and direct Grant with the Project code of 4053134 at CUHK.

Dosimetry in x-ray-based breast imaging

PubMed Central

Dance, David R; Sechopoulos, Ioannis

2016-01-01

The estimation of the mean glandular dose to the breast (MGD) for x-ray based imaging modalities forms an essential part of quality control and is needed for risk estimation and for system design and optimisation. This review considers the development of methods for estimating the MGD for mammography, digital breast tomosynthesis (DBT) and dedicated breast CT (DBCT). Almost all of the methodology used employs Monte Carlo calculated conversion factors to relate the measurable quantity, generally the incident air kerma, to the MGD. After a review of the size and composition of the female breast, the various mathematical models used are discussed, with particular emphasis on models for mammography. These range from simple geometrical shapes, to the more recent complex models based on patient DBCT examinations. The possibility of patient-specific dose estimates is considered as well as special diagnostic views and the effect of breast implants. Calculations using the complex models show that the MGD for mammography is overestimated by about 30% when the simple models are used. The design and uses of breast-simulating test phantoms for measuring incident air kerma are outlined and comparisons made between patient and phantom-based dose estimates. The most widely used national and international dosimetry protocols for mammography are based on different simple geometrical models of the breast, and harmonisation of these protocols using more complex breast models is desirable. PMID:27617767

Dosimetry in x-ray-based breast imaging

NASA Astrophysics Data System (ADS)

Dance, David R.; Sechopoulos, Ioannis

2016-10-01

The estimation of the mean glandular dose to the breast (MGD) for x-ray based imaging modalities forms an essential part of quality control and is needed for risk estimation and for system design and optimisation. This review considers the development of methods for estimating the MGD for mammography, digital breast tomosynthesis (DBT) and dedicated breast CT (DBCT). Almost all of the methodology used employs Monte Carlo calculated conversion factors to relate the measurable quantity, generally the incident air kerma, to the MGD. After a review of the size and composition of the female breast, the various mathematical models used are discussed, with particular emphasis on models for mammography. These range from simple geometrical shapes, to the more recent complex models based on patient DBCT examinations. The possibility of patient-specific dose estimates is considered as well as special diagnostic views and the effect of breast implants. Calculations using the complex models show that the MGD for mammography is overestimated by about 30% when the simple models are used. The design and uses of breast-simulating test phantoms for measuring incident air kerma are outlined and comparisons made between patient and phantom-based dose estimates. The most widely used national and international dosimetry protocols for mammography are based on different simple geometrical models of the breast, and harmonisation of these protocols using more complex breast models is desirable.

Binary YORP Effect and Evolution of Binary Asteroids

NASA Astrophysics Data System (ADS)

Steinberg, Elad; Sari, Re'em

2011-02-01

The rotation states of kilometer-sized near-Earth asteroids are known to be affected by the Yarkevsky O'Keefe-Radzievskii-Paddack (YORP) effect. In a related effect, binary YORP (BYORP), the orbital properties of a binary asteroid evolve under a radiation effect mostly acting on a tidally locked secondary. The BYORP effect can alter the orbital elements over ~104-105 years for a Dp = 2 km primary with a Ds = 0.4 km secondary at 1 AU. It can either separate the binary components or cause them to collide. In this paper, we devise a simple approach to calculate the YORP effect on asteroids and the BYORP effect on binaries including J 2 effects due to primary oblateness and the Sun. We apply this to asteroids with known shapes as well as a set of randomly generated bodies with various degrees of smoothness. We find a strong correlation between the strengths of an asteroid's YORP and BYORP effects. Therefore, statistical knowledge of one could be used to estimate the effect of the other. We show that the action of BYORP preferentially shrinks rather than expands the binary orbit and that YORP preferentially slows down asteroids. This conclusion holds for the two extremes of thermal conductivities studied in this work and the assumption that the asteroid reaches a stable point, but may break down for moderate thermal conductivity. The YORP and BYORP effects are shown to be smaller than could be naively expected due to near cancellation of the effects at small scales. Taking this near cancellation into account, a simple order-of-magnitude estimate of the YORP and BYORP effects as a function of the sizes and smoothness of the bodies is calculated. Finally, we provide a simple proof showing that there is no secular effect due to absorption of radiation in BYORP.

Considerations on methodological challenges for water footprint calculations.

PubMed

Thaler, S; Zessner, M; De Lis, F Bertran; Kreuzinger, N; Fehringer, R

2012-01-01

We have investigated how different approaches for water footprint (WF) calculations lead to different results, taking sugar beet production and sugar refining as examples. To a large extent, results obtained from any WF calculation are reflective of the method used and the assumptions made. Real irrigation data for 59 European sugar beet growing areas showed inadequate estimation of irrigation water when a widely used simple approach was used. The method resulted in an overestimation of blue water and an underestimation of green water usage. Dependent on the chosen (available) water quality standard, the final grey WF can differ up to a factor of 10 and more. We conclude that further development and standardisation of the WF is needed to reach comparable and reliable results. A special focus should be on standardisation of the grey WF methodology based on receiving water quality standards.

A contribution to the calculation of measurement uncertainty and optimization of measuring strategies in coordinate measurement

NASA Astrophysics Data System (ADS)

Waeldele, F.

1983-01-01

The influence of sample shape deviations on the measurement uncertainties and the optimization of computer aided coordinate measurement were investigated for a circle and a cylinder. Using the complete error propagation law in matrix form the parameter uncertainties are calculated, taking the correlation between the measurement points into account. Theoretical investigations show that the measuring points have to be equidistantly distributed and that for a cylindrical body a measuring point distribution along a cross section is better than along a helical line. The theoretically obtained expressions to calculate the uncertainties prove to be a good estimation basis. The simple error theory is not satisfactory for estimation. The complete statistical data analysis theory helps to avoid aggravating measurement errors and to adjust the number of measuring points to the required measuring uncertainty.

Efficient multidimensional free energy calculations for ab initio molecular dynamics using classical bias potentials

NASA Astrophysics Data System (ADS)

VandeVondele, Joost; Rothlisberger, Ursula

2000-09-01

We present a method for calculating multidimensional free energy surfaces within the limited time scale of a first-principles molecular dynamics scheme. The sampling efficiency is enhanced using selected terms of a classical force field as a bias potential. This simple procedure yields a very substantial increase in sampling accuracy while retaining the high quality of the underlying ab initio potential surface and can thus be used for a parameter free calculation of free energy surfaces. The success of the method is demonstrated by the applications to two gas phase molecules, ethane and peroxynitrous acid, as test case systems. A statistical analysis of the results shows that the entire free energy landscape is well converged within a 40 ps simulation at 500 K, even for a system with barriers as high as 15 kcal/mol.

SOLAR OBLIQUITY INDUCED BY PLANET NINE: SIMPLE CALCULATION

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

Lai, Dong

2016-12-01

Bailey et al. and Gomes et al. recently suggested that the 6° misalignment between the Sun’s rotational equator and the orbital plane of the major planets may be produced by forcing from the hypothetical Planet Nine on an inclined orbit. Here, we present a simple yet accurate calculation of the effect, which provides a clear description of how the Sun’s spin orientation depends on the property of Planet Nine in this scenario.

The Limiting Velocity in Falling from a Great Height

NASA Technical Reports Server (NTRS)

Wilson, Edwin Bidwell

1919-01-01

The purpose of this report is to give a simple treatment of the problem of calculating the final or limiting velocity of an object falling in vertical motion under gravity in a resisting medium. The equations of motion are easily set up and integrated when the density of the medium is constant and the resistance varies as the square of the velocity. The results show that the fundamental characteristics of the vertical motion under gravity in a resisting medium is the approach to a terminal or limiting velocity, whether the initial downward velocity is less or greater than the limiting velocity. This method can be used to calculate the terminal velocity of a bomb trajectory.

Air pollution from future giant jetports

NASA Technical Reports Server (NTRS)

Fay, J. A.

1970-01-01

Because aircraft arrive and depart in a generally upwind direction, the pollutants are deposited in a narrow corridor extending downwind of the airport. Vertical mixing in the turbulent atmosphere will not dilute such a trail, since the pollutants are distributed vertically during the landing and take-off operations. As a consequence, airport pollution may persist twenty to forty miles downwind without much attenuation. Based on this simple meteorological model, calculations of the ambient levels of nitric oxide and particulates to be expected downwind of a giant jetport show them to be about equal to those in present urban environments. These calculations are based on measured emission rates from jet engines and estimates of aircraft performance and traffic for future jetports.

Optimum design of Geodesic dome’s jointing system

NASA Astrophysics Data System (ADS)

Tran, Huy. T.

2018-04-01

This study attempts to create a new design for joint connector of Geodesic dome. A new type of joint connector design is proposed for flexible rotating connection; comparing it to another, this design is cheaper and workable. After calculating the bearing capacity of the sample according to EC3 and Vietnam standard TCVN 5575-2012, FEM model of the design sample is carried out in many specific situation to consider the stress distribution, the deformation, the local destruction… in the connector. The analytical results and the FE data are consistent. The FE analysis also points out the behavior of some details that simple calculation cannot show. Hence, we can choose the optimum design of joint connector.

Parameterized cross sections for Coulomb dissociation in heavy-ion collisions

NASA Technical Reports Server (NTRS)

Norbury, John W.; Cucinotta, F. A.; Townsend, L. W.; Badavi, F. F.

1988-01-01

Simple parameterizations of Coulomb dissociation cross sections for use in heavy-ion transport calculations are presented and compared to available experimental dissociation data. The agreement between calculation and experiment is satisfactory considering the simplicity of the calculations.

Thermal Conductivity of Alumina-Toughened Zirconia Composites

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Zhu, Dong-Ming

2003-01-01

10-mol% yttria-stabilized zirconia (10YSZ)-alumina composites containing 0 to 30 mol% alumina were fabricated by hot pressing at 1500 C in vacuum. Thermal conductivity of the composites, determined at various temperatures using a steady-state laser heat flux technique, increased with increase in alumina content. Composites containing 0, 5, and 10-mol% alumina did not show any change in thermal conductivity with temperature. However, those containing 20 and 30-mol% alumina showed a decrease in thermal conductivity with increase in temperature. The measured values of thermal conductivity were in good agreement with those calculated from simple rule of mixtures.

A novel method for calculating relative free energy of similar molecules in two environments

NASA Astrophysics Data System (ADS)

Farhi, Asaf; Singh, Bipin

2017-03-01

Calculating relative free energies is a topic of substantial interest and has many applications including solvation and binding free energies, which are used in computational drug discovery. However, there remain the challenges of accuracy, simple implementation, robustness and efficiency, which prevent the calculations from being automated and limit their use. Here we present an exact and complete decoupling analysis in which the partition functions of the compared systems decompose into the partition functions of the common and different subsystems. This decoupling analysis is applicable to submolecules with coupled degrees of freedom such as the methyl group and to any potential function (including the typical dihedral potentials), enabling to remove less terms in the transformation which results in a more efficient calculation. Then we show mathematically, in the context of partition function decoupling, that the two compared systems can be simulated separately, eliminating the need to design a composite system. We demonstrate the decoupling analysis and the separate transformations in a relative free energy calculation using MD simulations for a general force field and compare to another calculation and to experimental results. We present a unified soft-core technique that ensures the monotonicity of the numerically integrated function (analytical proof) which is important for the selection of intermediates. We show mathematically that in this soft-core technique the numerically integrated function can be non-steep only when we transform the systems separately, which can simplify the numerical integration. Finally, we show that when the systems have rugged energy landscape they can be equilibrated without introducing another sampling dimension which can also enable to use the simulation results for other free energy calculations.

Organ Dose-Rate Calculations for Small Mammals at Maralinga, the Nevada Test Site, Hanford and Fukushima: A Comparison of Ellipsoidal and Voxelized Dosimetric Methodologies.

PubMed

Caffrey, Emily A; Johansen, Mathew P; Higley, Kathryn A

2015-10-01

Radiological dosimetry for nonhuman biota typically relies on calculations that utilize the Monte Carlo simulations of simple, ellipsoidal geometries with internal radioactivity distributed homogeneously throughout. In this manner it is quick and easy to estimate whole-body dose rates to biota. Voxel models are detailed anatomical phantoms that were first used for calculating radiation dose to humans, which are now being extended to nonhuman biota dose calculations. However, if simple ellipsoidal models provide conservative dose-rate estimates, then the additional labor involved in creating voxel models may be unnecessary for most scenarios. Here we show that the ellipsoidal method provides conservative estimates of organ dose rates to small mammals. Organ dose rates were calculated for environmental source terms from Maralinga, the Nevada Test Site, Hanford and Fukushima using both the ellipsoidal and voxel techniques, and in all cases the ellipsoidal method yielded more conservative dose rates by factors of 1.2-1.4 for photons and 5.3 for beta particles. Dose rates for alpha-emitting radionuclides are identical for each method as full energy absorption in source tissue is assumed. The voxel procedure includes contributions to dose from organ-to-organ irradiation (shown here to comprise 2-50% of total dose from photons and 0-93% of total dose from beta particles) that is not specifically quantified in the ellipsoidal approach. Overall, the voxel models provide robust dosimetry for the nonhuman mammals considered in this study, and though the level of detail is likely extraneous to demonstrating regulatory compliance today, voxel models may nevertheless be advantageous in resolving ongoing questions regarding the effects of ionizing radiation on wildlife.

Water Conservation Measures

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

Ian Metzger, Jesse Dean

2010-12-31

This software requires inputs of simple water fixture inventory information and calculates the water/energy and cost benefits of various retrofit opportunities. This tool includes water conservation measures for: Low-flow Toilets, Low-flow Urinals, Low-flow Faucets, and Low-flow Showheads. This tool calculates water savings, energy savings, demand reduction, cost savings, and building life cycle costs including: simple payback, discounted payback, net-present value, and savings to investment ratio. In addition this tool also displays the environmental benefits of a project.

Approximate method for calculating convective heat flux on the surface of bodies of simple geometric shapes

NASA Astrophysics Data System (ADS)

Kuzenov, V. V.; Ryzhkov, S. V.

2017-02-01

The paper formulated engineering and physical mathematical model for aerothermodynamics hypersonic flight vehicle (HFV) in laminar and turbulent boundary layers (model designed for an approximate estimate of the convective heat flow in the range of speeds M = 6-28, and height H = 20-80 km). 2D versions of calculations of convective heat flows for bodies of simple geometric forms (individual elements of the design HFV) are presented.

A Simple Sensor Model for THUNDER Actuators

NASA Technical Reports Server (NTRS)

Campbell, Joel F.; Bryant, Robert G.

2009-01-01

A quasi-static (low frequency) model is developed for THUNDER actuators configured as displacement sensors based on a simple Raleigh-Ritz technique. This model is used to calculate charge as a function of displacement. Using this and the calculated capacitance, voltage vs. displacement and voltage vs. electrical load curves are generated and compared with measurements. It is shown this model gives acceptable results and is useful for determining rough estimates of sensor output for various loads, laminate configurations and thicknesses.

Enhanced Born Charge and Proximity to Ferroelectricity in Thallium Halides

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

Du, Mao-Hua; Singh, David J

2010-01-01

Electronic structure and lattice dynamics calculations on thallium halides show that the Born effective charges in these compounds are more than twice larger than the nominal ionic charges. This is a result of cross-band-gap hybridization between Tl-p and halogen-p states. The large Born charges cause giant splitting between longitudinal and transverse optic phonon modes, bringing the lattice close to ferroelectric instability. Our calculations indeed show spontaneous lattice polarization upon lattice expansion starting at 2%. It is remarkable that the apparently ionic thallium halides with a simple cubic CsCl structure and large differences in electronegativity between cations and anions can bemore » very close to ferroelectricity. This can lead to effective screening of defects and impurities that would otherwise be strong carrier traps and may therefore contribute to the relatively good carrier transport properties in TlBr radiation detectors.« less

Enhanced Born charge and proximity to ferroelectricity in thallium halides

NASA Astrophysics Data System (ADS)

Du, Mao-Hua; Singh, David J.

2010-04-01

Electronic-structure and lattice-dynamics calculations on thallium halides show that the Born effective charges in these compounds are more than twice larger than the nominal ionic charges. This is a result of cross-band-gap hybridization between Tlp and halogen- p states. The large Born charges cause giant splitting between longitudinal and transverse-optic phonon modes, bringing the lattice close to ferroelectric instability. Our calculations indeed show that cubic TlBr develops ferroelectric instabilities upon lattice expansion starting at 2%. It is remarkable that the apparently ionic thallium halides with a simple cubic CsCl structure and large differences in electronegativity between cations and anions can be very close to ferroelectricity. This can lead to effective screening of defects and impurities that would otherwise be strong carrier traps and may therefore contribute to the relatively good carrier transport properties in TlBr radiation detectors.

Limits on passivating defects in semiconductors: the case of Si edge dislocations.

PubMed

Chan, Tzu-Liang; West, D; Zhang, S B

2011-07-15

By minimizing the free energy while constraining dopant density, we derive a universal curve that relates the formation energy (E(form)) of doping and the efficiency of defect passivation in terms of segregation of dopants at defect sites. The universal curve takes the simple form of a Fermi-Dirac distribution. Our imposed constraint defines a chemical potential that assumes the role of "Fermi energy," which sets the thermodynamic limit on the E(form) required to overcome the effect of entropy such that dopant segregation at defects in semiconductors can occur. Using Si edge dislocation as an example, we show by first-principles calculations how to map the experimentally measurable passivation efficiency to our calculated E(form) by using the universal curve for typical n- and p-type substitutional dopants. We show that n-type dopants are ineffective. Among p-type dopants, B can satisfy the thermodynamic limit while improving electronic properties.

Atomic structure and electronic properties of MgO grain boundaries in tunnelling magnetoresistive devices

PubMed Central

Bean, Jonathan J.; Saito, Mitsuhiro; Fukami, Shunsuke; Sato, Hideo; Ikeda, Shoji; Ohno, Hideo; Ikuhara, Yuichi; McKenna, Keith P.

2017-01-01

Polycrystalline metal oxides find diverse applications in areas such as nanoelectronics, photovoltaics and catalysis. Although grain boundary defects are ubiquitous their structure and electronic properties are very poorly understood since it is extremely challenging to probe the structure of buried interfaces directly. In this paper we combine novel plan-view high-resolution transmission electron microscopy and first principles calculations to provide atomic level understanding of the structure and properties of grain boundaries in the barrier layer of a magnetic tunnel junction. We show that the highly [001] textured MgO films contain numerous tilt grain boundaries. First principles calculations reveal how these grain boundaries are associated with locally reduced band gaps (by up to 3 eV). Using a simple model we show how shunting a proportion of the tunnelling current through grain boundaries imposes limits on the maximum magnetoresistance that can be achieved in devices. PMID:28374755

Calculating the surface tension of binary solutions of simple fluids of comparable size

NASA Astrophysics Data System (ADS)

Zaitseva, E. S.; Tovbin, Yu. K.

2017-11-01

A molecular theory based on the lattice gas model (LGM) is used to calculate the surface tension of one- and two-component planar vapor-liquid interfaces of simple fluids. Interaction between nearest neighbors is considered in the calculations. LGM is applied as a tool of interpolation: the parameters of the model are corrected using experimental surface tension data. It is found that the average accuracy of describing the surface tension of pure substances (Ar, N2, O2, CH4) and their mixtures (Ar-O2, Ar-N2, Ar-CH4, N2-CH4) does not exceed 2%.

The Digital Shoreline Analysis System (DSAS) Version 4.0 - An ArcGIS extension for calculating shoreline change

USGS Publications Warehouse

Thieler, E. Robert; Himmelstoss, Emily A.; Zichichi, Jessica L.; Ergul, Ayhan

2009-01-01

The Digital Shoreline Analysis System (DSAS) version 4.0 is a software extension to ESRI ArcGIS v.9.2 and above that enables a user to calculate shoreline rate-of-change statistics from multiple historic shoreline positions. A user-friendly interface of simple buttons and menus guides the user through the major steps of shoreline change analysis. Components of the extension and user guide include (1) instruction on the proper way to define a reference baseline for measurements, (2) automated and manual generation of measurement transects and metadata based on user-specified parameters, and (3) output of calculated rates of shoreline change and other statistical information. DSAS computes shoreline rates of change using four different methods: (1) endpoint rate, (2) simple linear regression, (3) weighted linear regression, and (4) least median of squares. The standard error, correlation coefficient, and confidence interval are also computed for the simple and weighted linear-regression methods. The results of all rate calculations are output to a table that can be linked to the transect file by a common attribute field. DSAS is intended to facilitate the shoreline change-calculation process and to provide rate-of-change information and the statistical data necessary to establish the reliability of the calculated results. The software is also suitable for any generic application that calculates positional change over time, such as assessing rates of change of glacier limits in sequential aerial photos, river edge boundaries, land-cover changes, and so on.

Resonant Drag Instability of Grains Streaming in Fluids

NASA Astrophysics Data System (ADS)

Squire, J.; Hopkins, P. F.

2018-03-01

We show that grains streaming through a fluid are generically unstable if their velocity, projected along some direction, matches the phase velocity of a fluid wave (linear oscillation). This can occur whenever grains stream faster than any fluid wave. The wave itself can be quite general—sound waves, magnetosonic waves, epicyclic oscillations, and Brunt–Väisälä oscillations each generate instabilities, for example. We derive a simple expression for the growth rates of these “resonant drag instabilities” (RDI). This expression (i) illustrates why such instabilities are so virulent and generic and (ii) allows for simple analytic computation of RDI growth rates and properties for different fluids. As examples, we introduce several new instabilities, which could see application across a variety of physical systems from atmospheres to protoplanetary disks, the interstellar medium, and galactic outflows. The matrix-based resonance formalism we introduce can also be applied more generally in other (nonfluid) contexts, providing a simple means for calculating and understanding the stability properties of interacting systems.

A unified picture of the crystal structures of metals

NASA Astrophysics Data System (ADS)

Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

1995-04-01

THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

A simple algorithm for distance estimation without radar and stereo vision based on the bionic principle of bee eyes

NASA Astrophysics Data System (ADS)

Khamukhin, A. A.

2017-02-01

Simple navigation algorithms are needed for small autonomous unmanned aerial vehicles (UAVs). These algorithms can be implemented in a small microprocessor with low power consumption. This will help to reduce the weight of the UAVs computing equipment and to increase the flight range. The proposed algorithm uses only the number of opaque channels (ommatidia in bees) through which a target can be seen by moving an observer from location 1 to 2 toward the target. The distance estimation is given relative to the distance between locations 1 and 2. The simple scheme of an appositional compound eye to develop calculation formula is proposed. The distance estimation error analysis shows that it decreases with an increase of the total number of opaque channels to a certain limit. An acceptable error of about 2 % is achieved with the angle of view from 3 to 10° when the total number of opaque channels is 21600.

The role of elastic stored energy in controlling the long term rheological behaviour of the lithosphere

NASA Astrophysics Data System (ADS)

Regenauer-Lieb, Klaus; Weinberg, Roberto F.; Rosenbaum, Gideon

2012-04-01

The traditional definition of lithospheric strength is derived from the differential stresses required to form brittle and ductile structures at a constant strain rate. This definition is based on dissipative brittle and ductile deformation and does not take into account the ability of the lithosphere to store elastic strain. Here we show the important role of elasticity in controlling the long-term behaviour of the lithosphere. This is particularly evident when describing deformation in a thermodynamic framework, which differentiates between stored (Helmholtz free energy) and dissipative (entropy) energy potentials. In our model calculations we stretch a continental lithosphere with a wide range of crustal thickness (30-60 km) and heat flow (50-80 mW/m2) at a constant velocity. We show that the Helmholtz free energy, which in our simple calculation describes the energy stored elastically, converges for all models within a 25% range, while the dissipated energy varies over an order of magnitude. This variation stems from complex patterns in the local strain distributions of the different models, which together operate to minimize the Helmholtz free energy. This energy minimization is a fundamental material behaviour of the lithosphere, which in our simple case is defined by its elastic properties. We conclude from this result that elasticity (more generally Helmholtz free energy) is an important regulator of the long-term geological strength of the lithosphere.

Implementation of the glacial rebound prestress advection correction in general-purpose finite element analysis software: Springs versus foundations

NASA Astrophysics Data System (ADS)

Schmidt, Peter; Lund, Björn; Hieronymus, Christoph

2012-03-01

When general-purpose finite element analysis software is used to model glacial isostatic adjustment (GIA), the first-order effect of prestress advection has to be accounted for by the user. We show here that the common use of elastic foundations at boundaries between materials of different densities will produce incorrect displacements, unless the boundary is perpendicular to the direction of gravity. This is due to the foundations always acting perpendicular to the surface to which they are attached, while the body force they represent always acts in the direction of gravity. If prestress advection is instead accounted for by the use of elastic spring elements in the direction of gravity, the representation will be correct. The use of springs adds a computation of the spring constants to the analysis. The spring constant for a particular node is defined by the product of the density contrast at the boundary, the gravitational acceleration, and the area supported by the node. To be consistent with the finite element formulation, the area is evaluated by integration of the nodal shape functions. We outline an algorithm for the calculation and include a Python script that integrates the shape functions over a bilinear quadrilateral element. For linear rectangular and triangular elements, the area supported by each node is equal to the element area divided the number of defining nodes, thereby simplifying the computation. This is, however, not true in the general nonrectangular case, and we demonstrate this with a simple 1-element model. The spring constant calculation is simple and performed in the preprocessing stage of the analysis. The time spent on the calculation is more than compensated for by a shorter analysis time, compared to that for a model with foundations. We illustrate the effects of using springs versus foundations with a simple two-dimensional GIA model of glacial loading, where the Earth model has an inclined boundary between the overlying elastic layer and the lower viscoelastic layer. Our example shows that the error introduced by the use of foundations is large enough to affect an analysis based on high-accuracy geodetic data.

A simple web-based risk calculator (www.anastomoticleak.com) is superior to the surgeon's estimate of anastomotic leak after colon cancer resection.

PubMed

Sammour, T; Lewis, M; Thomas, M L; Lawrence, M J; Hunter, A; Moore, J W

2017-01-01

Anastomotic leak can be a devastating complication, and early prediction is difficult. The aim of this study is to prospectively validate a simple anastomotic leak risk calculator and compare its predictive value with the estimate of the primary operating surgeon. Consecutive patients undergoing elective or emergency colon cancer surgery with a primary anastomosis over a 1-year period were prospectively included. A recently published anastomotic leak risk nomogram was converted to an online calculator ( www.anastomoticleak.com ). The calculator-derived risk of anastomotic leak and the risk estimated by the primary operating surgeon were recorded at the completion of surgery. The primary outcome was anastomotic leak within 90 days as defined by previously published criteria. Area under receiver operating characteristic curve analysis (AUROC) was performed for both risk estimates. A total of 105 patients were screened for inclusion during the study period, of whom 83 met the inclusion criteria. The overall anastomotic leak rate was 9.6%. The anastomotic leak calculator was highly predictive of anastomotic leak (AUROC 0.84, P = 0.002), whereas the surgeon estimate was not predictive (AUROC 0.40, P = 0.243). A simple anastomotic leak risk calculator is significantly better at predicting anastomotic leak than the estimate of the primary surgeon. Further external validation on a larger data set is required.

A statistical method to estimate low-energy hadronic cross sections

NASA Astrophysics Data System (ADS)

Balassa, Gábor; Kovács, Péter; Wolf, György

2018-02-01

In this article we propose a model based on the Statistical Bootstrap approach to estimate the cross sections of different hadronic reactions up to a few GeV in c.m.s. energy. The method is based on the idea, when two particles collide a so-called fireball is formed, which after a short time period decays statistically into a specific final state. To calculate the probabilities we use a phase space description extended with quark combinatorial factors and the possibility of more than one fireball formation. In a few simple cases the probability of a specific final state can be calculated analytically, where we show that the model is able to reproduce the ratios of the considered cross sections. We also show that the model is able to describe proton-antiproton annihilation at rest. In the latter case we used a numerical method to calculate the more complicated final state probabilities. Additionally, we examined the formation of strange and charmed mesons as well, where we used existing data to fit the relevant model parameters.

Auxiliary basis expansions for large-scale electronic structure calculations.

PubMed

Jung, Yousung; Sodt, Alex; Gill, Peter M W; Head-Gordon, Martin

2005-05-10

One way to reduce the computational cost of electronic structure calculations is to use auxiliary basis expansions to approximate four-center integrals in terms of two- and three-center integrals, usually by using the variationally optimum Coulomb metric to determine the expansion coefficients. However, the long-range decay behavior of the auxiliary basis expansion coefficients has not been characterized. We find that this decay can be surprisingly slow. Numerical experiments on linear alkanes and a toy model both show that the decay can be as slow as 1/r in the distance between the auxiliary function and the fitted charge distribution. The Coulomb metric fitting equations also involve divergent matrix elements for extended systems treated with periodic boundary conditions. An attenuated Coulomb metric that is short-range can eliminate these oddities without substantially degrading calculated relative energies. The sparsity of the fit coefficients is assessed on simple hydrocarbon molecules and shows quite early onset of linear growth in the number of significant coefficients with system size using the attenuated Coulomb metric. Hence it is possible to design linear scaling auxiliary basis methods without additional approximations to treat large systems.

A Saturnian cam current system driven by asymmetric thermospheric heating

NASA Astrophysics Data System (ADS)

Smith, C. G. A.

2011-02-01

We show that asymmetric heating of Saturn's thermosphere can drive a current system consistent with the magnetospheric ‘cam’ proposed by Espinosa, Southwood & Dougherty. A geometrically simple heating distribution is imposed on the Northern hemisphere of a simplified three-dimensional global circulation model of Saturn's thermosphere. Currents driven by the resulting winds are calculated using a globally averaged ionosphere model. Using a simple assumption about how divergences in these currents close by flowing along dipolar field lines between the Northern and Southern hemispheres, we estimate the magnetic field perturbations in the equatorial plane and show that they are broadly consistent with the proposed cam fields, showing a roughly uniform field implying radial and azimuthal components in quadrature. We also identify a small longitudinal phase drift in the cam current with radial distance as a characteristic of a thermosphere-driven current system. However, at present our model does not produce magnetic field perturbations of the required magnitude, falling short by a factor of ˜100, a discrepancy that may be a consequence of an incomplete model of the ionospheric conductance.

National Stormwater Calculator User's Guide – VERSION 1.1

EPA Science Inventory

This document is the user's guide for running EPA's National Stormwater Calculator (http://www.epa.gov/nrmrl/wswrd/wq/models/swc/). The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US.

Bayesian sample size calculations in phase II clinical trials using a mixture of informative priors.

PubMed

Gajewski, Byron J; Mayo, Matthew S

2006-08-15

A number of researchers have discussed phase II clinical trials from a Bayesian perspective. A recent article by Mayo and Gajewski focuses on sample size calculations, which they determine by specifying an informative prior distribution and then calculating a posterior probability that the true response will exceed a prespecified target. In this article, we extend these sample size calculations to include a mixture of informative prior distributions. The mixture comes from several sources of information. For example consider information from two (or more) clinicians. The first clinician is pessimistic about the drug and the second clinician is optimistic. We tabulate the results for sample size design using the fact that the simple mixture of Betas is a conjugate family for the Beta- Binomial model. We discuss the theoretical framework for these types of Bayesian designs and show that the Bayesian designs in this paper approximate this theoretical framework. Copyright 2006 John Wiley & Sons, Ltd.

Extending the capability of GYRE to calculate tidally forced stellar oscillations

NASA Astrophysics Data System (ADS)

Guo, Zhao; Gies, Douglas R.

2016-01-01

Tidally forced oscillations have been observed in many eccentric binary systems, such as KOI-54 and many other 'heart beat stars'. The tidal response of the star can be calculated by solving a revised stellar oscillations equations.The open-source stellar oscillation code GYRE (Townsend & Teitler 2013) can be used to solve the free stellar oscillation equations in both adiabatic and non-adiabatic cases. It uses a novel matrix exponential method which avoids many difficulties of the classical shooting and relaxation method. The new version also includes the effect of rotation in traditional approximation.After showing the code flow of GYRE, we revise its subroutines and extend its capability to calculate tidallyforced oscillations in both adiabatic and non-adiabatic cases following the procedure in the CAFein code (Valsecchi et al. 2013). In the end, we compare the tidal eigenfunctions with those calculated from CAFein.More details of the revision and a simple version of the code in MATLAB can be obtained upon request.

A simple cohesive zone model that generates a mode-mixity dependent toughness

DOE PAGES

Reedy, Jr., E. D.; Emery, J. M.

2014-07-24

A simple, mode-mixity dependent toughness cohesive zone model (MDG c CZM) is described. This phenomenological cohesive zone model has two elements. Mode I energy dissipation is defined by a traction–separation relationship that depends only on normal separation. Mode II (III) dissipation is generated by shear yielding and slip in the cohesive surface elements that lie in front of the region where mode I separation (softening) occurs. The nature of predictions made by analyses that use the MDG c CZM is illustrated by considering the classic problem of an elastic layer loaded by rigid grips. This geometry, which models a thinmore » adhesive bond with a long interfacial edge crack, is similar to that which has been used to measure the dependence of interfacial toughness on crack-tip mode-mixity. The calculated effective toughness vs. applied mode-mixity relationships all display a strong dependence on applied mode-mixity with the effective toughness increasing rapidly with the magnitude of the mode-mixity. The calculated relationships also show a pronounced asymmetry with respect to the applied mode-mixity. As a result, this dependence is similar to that observed experimentally, and calculated results for a glass/epoxy interface are in good agreement with published data that was generated using a test specimen of the same type as analyzed here.« less

Sunspots and Their Simple Harmonic Motion

ERIC Educational Resources Information Center

Ribeiro, C. I.

2013-01-01

In this paper an example of a simple harmonic motion, the apparent motion of sunspots due to the Sun's rotation, is described, which can be used to teach this subject to high-school students. Using real images of the Sun, students can calculate the star's rotation period with the simple harmonic motion mathematical expression.

Development of the Workplace Health Savings Calculator: a practical tool to measure economic impact from reduced absenteeism and staff turnover in workplace health promotion.

PubMed

Baxter, Siyan; Campbell, Sharon; Sanderson, Kristy; Cazaly, Carl; Venn, Alison; Owen, Carole; Palmer, Andrew J

2015-09-18

Workplace health promotion is focussed on improving the health and wellbeing of workers. Although quantifiable effectiveness and economic evidence is variable, workplace health promotion is recognised by both government and business stakeholders as potentially beneficial for worker health and economic advantage. Despite the current debate on whether conclusive positive outcomes exist, governments are investing, and business engagement is necessary for value to be realised. Practical tools are needed to assist decision makers in developing the business case for workplace health promotion programs. Our primary objective was to develop an evidence-based, simple and easy-to-use resource (calculator) for Australian employers interested in workplace health investment figures. Three phases were undertaken to develop the calculator. First, evidence from a literature review located appropriate effectiveness measures. Second, a review of employer-facilitated programs aimed at improving the health and wellbeing of employees was utilised to identify change estimates surrounding these measures, and third, currently available online evaluation tools and models were investigated. We present a simple web-based calculator for use by employers who wish to estimate potential annual savings associated with implementing a successful workplace health promotion program. The calculator uses effectiveness measures (absenteeism and staff turnover rates) and change estimates sourced from 55 case studies to generate the annual savings an employer may potentially gain. Australian wage statistics were used to calculate replacement costs due to staff turnover. The calculator was named the Workplace Health Savings Calculator and adapted and reproduced on the Healthy Workers web portal by the Australian Commonwealth Government Department of Health and Ageing. The Workplace Health Savings Calculator is a simple online business tool that aims to engage employers and to assist participation, development and implementation of workplace health promotion programs.

Equilibrium properties of simple metal thin films in the self-compressed stabilized jellium model.

PubMed

Mahmoodi, T; Payami, M

2009-07-01

In this work, we have applied the self-compressed stabilized jellium model to predict the equilibrium properties of isolated thin Al, Na and Cs slabs. To make a direct correspondence to atomic slabs, we have considered only those L values that correspond to n-layered atomic slabs with 2≤n≤20, for surface indices (100), (110), and (111). The calculations are based on the density functional theory and self-consistent solution of the Kohn-Sham equations in the local density approximation. Our results show that firstly, the quantum size effects are significant for slabs with sizes smaller than or near to the Fermi wavelength of the valence electrons λ(F), and secondly, some slabs expand while others contract with respect to the bulk spacings. Based on the results, we propose a criterion for realization of significant quantum size effects that lead to expansion of some thin slabs. For more justification of the criterion, we have tested it on Li slabs for 2≤n≤6. We have compared our Al results with those obtained from using all-electron or pseudo-potential first-principles calculations. This comparison shows excellent agreements for Al(100) work functions, and qualitatively good agreements for the other work functions and surface energies. These agreements justify the way we have used the self-compressed stabilized jellium model for the correct description of the properties of simple metal slab systems. On the other hand, our results for the work functions and surface energies of large- n slabs are in good agreement with those obtained from applying the stabilized jellium model for semi-infinite systems. In addition, we have performed the slab calculations in the presence of surface corrugation for selected Al slabs and have shown that the results are worsened.

Making Temporal Logic Calculational: A Tool for Unification and Discovery

NASA Astrophysics Data System (ADS)

Boute, Raymond

In temporal logic, calculational proofs beyond simple cases are often seen as challenging. The situation is reversed by making temporal logic calculational, yielding shorter and clearer proofs than traditional ones, and serving as a (mental) tool for unification and discovery. A side-effect of unifying theories is easier access by practicians. The starting point is a simple generic (software tool independent) Functional Temporal Calculus (FTC). Specific temporal logics are then captured via endosemantic functions. This concept reflects tacit conventions throughout mathematics and, once identified, is general and useful. FTC also yields a reasoning style that helps discovering theorems by calculation rather than just proving given facts. This is illustrated by deriving various theorems, most related to liveness issues in TLA+, and finding strengthenings of known results. Educational issues are addressed in passing.

Simple systematization of vibrational excitation cross-section calculations for resonant electron-molecule scattering in the boomerang and impulse models.

PubMed

Sarma, Manabendra; Adhikari, S; Mishra, Manoj K

2007-01-28

Vibrational excitation (nu(f)<--nu(i)) cross-sections sigma(nu(f)<--nu(i) )(E) in resonant e-N(2) and e-H(2) scattering are calculated from transition matrix elements T(nu(f),nu(i) )(E) obtained using Fourier transform of the cross correlation function , where psi(nu(i))(R,t) approximately =e(-iH(A(2))-(R)t/h phi(nu(i))(R) with time evolution under the influence of the resonance anionic Hamiltonian H(A(2) (-))(A(2) (-)=N(2)(-)/H(2) (-)) implemented using Lanczos and fast Fourier transforms. The target (A(2)) vibrational eigenfunctions phi(nu(i))(R) and phi(nu(f))(R) are calculated using Fourier grid Hamiltonian method applied to potential energy (PE) curves of the neutral target. Application of this simple systematization to calculate vibrational structure in e-N(2) and e-H(2) scattering cross-sections provides mechanistic insights into features underlying presence/absence of structure in e-N(2) and e-H(2) scattering cross-sections. The results obtained with approximate PE curves are in reasonable agreement with experimental/calculated cross-section profiles, and cross correlation functions provide a simple demarcation between the boomerang and impulse models.

Effect of magnetic field on noncollinear magnetism in classical bilinear-biquadratic Heisenberg model

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

Pasrija, Kanika, E-mail: kanikapasrija@iisermohali.ac.in; Kumar, Sanjeev, E-mail: sanjeev@iisermohali.ac.in

We present a Monte Carlo simulation study of a bilinear-biquadratic Heisenberg model on a two-dimensional square lattice in the presence of an external magnetic field. The study is motivated by the relevance of this simple model to the non-collinear magnetism and the consequent ferroelectric behavior in the recently discovered high-temperature multiferroic, cupric oxide (CuO). We show that an external magnetic field stabilizes a non-coplanar magnetic phase, which is characterized by a finite ferromagnetic moment along the direction of the applied magnetic field and a spiral spin texture if projected in the plane perpendicular to the magnetic field. Real-space analysis highlightsmore » a coexistence of non-collinear regions with ferromagnetic clusters. The results are also supported by simple variational calculations.« less

Finite Element Analysis of Simple Rectangular Microstrip Sensor for Determination Moisture Content of Hevea Rubber Latex

NASA Astrophysics Data System (ADS)

Yahaya, NZ; Ramli, MR; Razak, NNANA; Abbas, Z.

2018-04-01

The Finite Element Method, FEM has been successfully used to model a simple rectangular microstrip sensor to determine the moisture content of Hevea rubber latex. The FEM simulation of sensor and samples was implemented by using COMSOL Multiphysics software. The simulation includes the calculation of magnitude and phase of reflection coefficient and was compared to analytical method. The results show a good agreement in finding the magnitude and phase of reflection coefficient when compared with analytical results. Field distributions of both the unloaded sensor as well as the sensor loaded with different percentages of moisture content were visualized using FEM in conjunction with COMSOL software. The higher the amount of moisture content in the sample the more the electric loops were observed.

Bunching phase and constraints on echo enabled harmonic generation

NASA Astrophysics Data System (ADS)

Hemsing, E.

2018-05-01

A simple mathematical description is developed for the bunching spectrum in echo enabled harmonic generation (EEHG) that incorporates the effect of additional electron beam energy modulations. Under common assumptions, they are shown to contribute purely through the phase of the longitudinal bunching factor, which allows the spectral moments of the bunching to be calculated directly from the known energy modulations. In particular, the second moment (spectral bandwidth) serves as simple constraint on the amplitude of the energy modulations to maintain a transform-limited seed. We show that, in general, the impact on the spectrum of energy distortions that develop between the EEHG chicanes scales like the harmonic number compared to distortions that occur upstream. This may limit the parameters that will allow EEHG to reach short wavelengths in high brightness FELs.

Sensitivity studies and a simple ozone perturbation experiment with a truncated two-dimensional model of the stratosphere

NASA Technical Reports Server (NTRS)

Stordal, Frode; Garcia, Rolando R.

1987-01-01

The 1-1/2-D model of Holton (1986), which is actually a highly truncated two-dimensional model, describes latitudinal variations of tracer mixing ratios in terms of their projections onto second-order Legendre polynomials. The present study extends the work of Holton by including tracers with photochemical production in the stratosphere (O3 and NOy). It also includes latitudinal variations in the photochemical sources and sinks, improving slightly the calculated global mean profiles for the long-lived tracers studied by Holton and improving substantially the latitudinal behavior of ozone. Sensitivity tests of the dynamical parameters in the model are performed, showing that the response of the model to changes in vertical residual meridional winds and horizontal diffusion coefficients is similar to that of a full two-dimensional model. A simple ozone perturbation experiment shows the model's ability to reproduce large-scale latitudinal variations in total ozone column depletions as well as ozone changes in the chemically controlled upper stratosphere.

Combining nonoverlap and trend for single-case research: Tau-U.

PubMed

Parker, Richard I; Vannest, Kimberly J; Davis, John L; Sauber, Stephanie B

2011-06-01

A new index for analysis of single-case research data was proposed, Tau-U, which combines nonoverlap between phases with trend from within the intervention phase. In addition, it provides the option of controlling undesirable Phase A trend. The derivation of Tau-U from Kendall's Rank Correlation and the Mann-Whitney U test between groups is demonstrated. The equivalence of trend and nonoverlap is also shown, with supportive citations from field leaders. Tau-U calculations are demonstrated for simple AB and ABA designs. Tau-U is then field tested on a sample of 382 published data series. Controlling undesirable Phase A trend caused only a modest change from nonoverlap. The inclusion of Phase B trend yielded more modest results than simple nonoverlap. The Tau-U score distribution did not show the artificial ceiling shown by all other nonoverlap techniques. It performed reasonably well with autocorrelated data. Tau-U shows promise for single-case applications, but further study is desirable. Copyright © 2011. Published by Elsevier Ltd.

A simple way to improve AGN feedback prescription in SPH simulations

NASA Astrophysics Data System (ADS)

Zubovas, Kastytis; Bourne, Martin A.; Nayakshin, Sergei

2016-03-01

Active galactic nuclei (AGN) feedback is an important ingredient in galaxy evolution, however its treatment in numerical simulations is necessarily approximate, requiring subgrid prescriptions due to the dynamical range involved in the calculations. We present a suite of smoothed particle hydrodynamics simulations designed to showcase the importance of the choice of a particular subgrid prescription for AGN feedback. We concentrate on two approaches to treating wide-angle AGN outflows: thermal feedback, where thermal and kinetic energy is injected into the gas surrounding the supermassive black hole (SMBH) particle, and virtual particle feedback, where energy is carried by tracer particles radially away from the AGN. We show that the latter model produces a far more complex structure around the SMBH, which we argue is a more physically correct outcome. We suggest a simple improvement to the thermal feedback model - injecting the energy into a cone, rather than spherically symmetrically - and show that this markedly improves the agreement between the two prescriptions, without requiring any noticeable increase in the computational cost of the simulation.

Mean Platelet Volume, Red Cell Distribution Width to Platelet Count Ratio, Globulin Platelet Index, and 16 Other Indirect Noninvasive Fibrosis Scores: How Much Do Routine Blood Tests Tell About Liver Fibrosis in Chronic Hepatitis C?

PubMed

Thandassery, Ragesh B; Al Kaabi, Saad; Soofi, Madiha E; Mohiuddin, Syed A; John, Anil K; Al Mohannadi, Muneera; Al Ejji, Khalid; Yakoob, Rafie; Derbala, Moutaz F; Wani, Hamidullah; Sharma, Manik; Al Dweik, Nazeeh; Butt, Mohammed T; Kamel, Yasser M; Sultan, Khaleel; Pasic, Fuad; Singh, Rajvir

2016-07-01

Many indirect noninvasive scores to predict liver fibrosis are calculated from routine blood investigations. Only limited studies have compared their efficacy head to head. We aimed to compare these scores with liver biopsy fibrosis stages in patients with chronic hepatitis C. From blood investigations of 1602 patients with chronic hepatitis C who underwent a liver biopsy before initiation of antiviral treatment, 19 simple noninvasive scores were calculated. The area under the receiver operating characteristic curves and diagnostic accuracy of each of these scores were calculated (with reference to the Scheuer staging) and compared. The mean age of the patients was 41.8±9.6 years (1365 men). The most common genotype was genotype 4 (65.6%). Significant fibrosis, advanced fibrosis, and cirrhosis were seen in 65.1%, 25.6, and 6.6% of patients, respectively. All the scores except the aspartate transaminase (AST) alanine transaminase ratio, Pohl score, mean platelet volume, fibro-alpha, and red cell distribution width to platelet count ratio index showed high predictive accuracy for the stages of fibrosis. King's score (cutoff, 17.5) showed the highest predictive accuracy for significant and advanced fibrosis. King's score, Göteborg university cirrhosis index, APRI (the AST/platelet count ratio index), and Fibrosis-4 (FIB-4) had the highest predictive accuracy for cirrhosis, with the APRI (cutoff, 2) and FIB-4 (cutoff, 3.25) showing the highest diagnostic accuracy.We derived the study score 8.5 - 0.2(albumin, g/dL) +0.01(AST, IU/L) -0.02(platelet count, 10/L), which at a cutoff of >4.7 had a predictive accuracy of 0.868 (95% confidence interval, 0.833-0.904) for cirrhosis. King's score for significant and advanced fibrosis and the APRI or FIB-4 score for cirrhosis could be the best simple indirect noninvasive scores.

Divergence thrust loss calculations for convergent-divergent nozzles: Extensions to the classical case

NASA Technical Reports Server (NTRS)

Berton, Jeffrey J.

1991-01-01

The analytical derivations of the non-axial thrust divergence losses for convergent-divergent nozzles are described as well as how these calculations are embodied in the Navy/NASA engine computer program. The convergent-divergent geometries considered are simple classic axisymmetric nozzles, two dimensional rectangular nozzles, and axisymmetric and two dimensional plug nozzles. A simple, traditional, inviscid mathematical approach is used to deduce the influence of the ineffectual non-axial thrust as a function of the nozzle exit divergence angle.

Learning to Calculate and Learning Mathematics.

ERIC Educational Resources Information Center

Fearnley-Sander, Desmond

1980-01-01

A calculator solution of a simple computational problem is discussed with emphasis on its ramifications for the understanding of some fundamental theorems of pure mathematics and techniques of computing. (Author/MK)

Vortex Loops at the Superfluid Lambda Transition: An Exact Theory?

NASA Technical Reports Server (NTRS)

Williams, Gary A.

2003-01-01

A vortex-loop theory of the superfluid lambda transition has been developed over the last decade, with many results in agreement with experiments. It is a very simple theory, consisting of just three basic equations. When it was first proposed the main uncertainty in the theory was the use Flory scaling to find the fractal dimension of the random-walking vortex loops. Recent developments in high-resolution Monte Carlo simulations have now made it possible to verify the accuracy of this Flory-scaling assumption. Although the loop theory is not yet rigorously proven to be exact, the Monte Carlo results show at the least that it is an extremely good approximation. Recent loop calculations of the critical Casimir effect in helium films in the superfluid phase T < Tc will be compared with similar perturbative RG calculations in the normal phase T > Tc; the two calculations are found to match very nicely right at Tc.

Transfer impedance measurements of the space shuttle Solid Rocket Motor (SRM) joints, wire meshes and a carbon graphite motor case

NASA Technical Reports Server (NTRS)

Papazian, Peter B.; Perala, Rodney A.; Curry, John D.; Lankford, Alan B.; Keller, J. David

1988-01-01

Using three different current injection methods and a simple voltage probe, transfer impedances for Solid Rocket Motor (SRM) joints, wire meshes, aluminum foil, Thorstrand and a graphite composite motor case were measured. In all cases, the surface current distribution for the particular current injection device was calculated analytically or by finite difference methods. The results of these calculations were used to generate a geometric factor which was the ratio of total injected current to surface current density. The results were validated in several ways. For wire mesh measurements, results showed good agreement with calculated results for a 14 by 18 Al screen. SRM joint impedances were independently verified. The filiment wound case measurement results were validated only to the extent that their curve shape agrees with the expected form of transfer impedance for a homogeneous slab excited by a plane wave source.

Circuit filling factor (CFF) for multiply tuned probes, revisited

NASA Astrophysics Data System (ADS)

Conradi, Mark S.; Zens, Albert P.

2018-07-01

The concept of circuit filling factor (CFF) is re-examined for multi-tuned, multi-inductor probe circuits. The CFF is the fraction of magnetic stored energy residing in the NMR coil. The CFF theorem states that the CFF sums to unity across all the resonant normal modes. It dictates that improved performance from a large CFF in one mode comes at the expense of CFF (and performance) at the other mode(s). Simple analytical calculations of two-mode circuits are used to demonstrate and confirm the CFF theorem. A triple-resonance circuit is calculated to show the large trade-offs involved there. The theorem can provide guidance for choosing the best circuit and relative inductances in multi-nuclear probes. The CFF is directly accessible from ball frequency-shift measurements. We give experimental measures of the CFF from ball shifts and compare to calculated values of the CFF, with good agreement.

Calculation of DNA strand breaks due to direct and indirect effects of Auger electrons from incorporated 123I and 125I radionuclides using the Geant4 computer code.

PubMed

Raisali, Gholamreza; Mirzakhanian, Lalageh; Masoudi, Seyed Farhad; Semsarha, Farid

2013-01-01

In this work the number of DNA single-strand breaks (SSB) and double-strand breaks (DSB) due to direct and indirect effects of Auger electrons from incorporated (123)I and (125)I have been calculated by using the Geant4-DNA toolkit. We have performed and compared the calculations for several cases: (125)I versus (123)I, source positions and direct versus indirect breaks to study the capability of the Geant4-DNA in calculations of DNA damage yields. Two different simple geometries of a 41 base pair of B-DNA have been simulated. The location of (123)I has been considered to be in (123)IdUrd and three different locations for (125)I. The results showed that the simpler geometry is sufficient for direct break calculations while indirect damage yield is more sensitive to the helical shape of DNA. For (123)I Auger electrons, the average number of DSB due to the direct hits is almost twice the DSB due to the indirect hits. Furthermore, a comparison between the average number of SSB or DSB caused by Auger electrons of (125)I and (123)I in (125)IdUrd and (123)IdUrd shows that (125)I is 1.5 times more effective than (123)I per decay. The results are in reasonable agreement with previous experimental and theoretical results which shows the applicability of the Geant-DNA toolkit in nanodosimetry calculations which benefits from the open-source accessibility with the advantage that the DNA models used in this work enable us to save the computational time. Also, the results showed that the simpler geometry is suitable for direct break calculations, while for the indirect damage yield, the more precise model is preferred.

Precision thermometry and the quantum speed limit

NASA Astrophysics Data System (ADS)

Campbell, Steve; Genoni, Marco G.; Deffner, Sebastian

2018-04-01

We assess precision thermometry for an arbitrary single quantum system. For a d-dimensional harmonic system we show that the gap sets a single temperature that can be optimally estimated. Furthermore, we establish a simple linear relationship between the gap and this temperature, and show that the precision exhibits a quadratic relationship. We extend our analysis to explore systems with arbitrary spectra, showing that exploiting anharmonicity and degeneracy can greatly enhance the precision of thermometry. Finally, we critically assess the dynamical features of two thermometry protocols for a two level system. By calculating the quantum speed limit we find that, despite the gap fixing a preferred temperature to probe, there is no evidence of this emerging in the dynamical features.

Programmable calculator uses equation to figure steady-state gas-pipeline flow

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

Holmberg, E.

Because it is accurate and consistent over a wide range of variables, the Colebrook-White (C-W) formula serves as the basis for many methods of calculating turbulent flow in gas pipelines. Oilconsult reveals a simple way to adapt the C-W formula to calculate steady-state pipeline flow using the TI-59 programmable calculator.

Active Brownian particles near straight or curved walls: Pressure and boundary layers

NASA Astrophysics Data System (ADS)

Duzgun, Ayhan; Selinger, Jonathan V.

2018-03-01

Unlike equilibrium systems, active matter is not governed by the conventional laws of thermodynamics. Through a series of analytic calculations and Langevin dynamics simulations, we explore how systems cross over from equilibrium to active behavior as the activity is increased. In particular, we calculate the profiles of density and orientational order near straight or circular walls and show the characteristic width of the boundary layers. We find a simple relationship between the enhancements of density and pressure near a wall. Based on these results, we determine how the pressure depends on wall curvature and hence make approximate analytic predictions for the motion of curved tracers, as well as the rectification of active particles around small openings in confined geometries.

Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

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

Havu, V.; Fritz Haber Institute of the Max Planck Society, Berlin; Blum, V.

2009-12-01

We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as themore » more rigorous bottom-up approaches.« less

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

Xiong, Hao, E-mail: haoxiong1217@gmail.com; Fan, Yu-Wan; Yang, Xiaoxue

We investigate radiation-pressure induced generation of the frequency components at the difference-sideband in an optomechanical system, which beyond the conventional linearized description of optomechanical interactions between cavity fields and the mechanical oscillation. We analytically calculate amplitudes of these signals, and identify a simple square-root law for both the upper and lower difference-sideband generation which can describe the dependence of the intensities of these signals on the pump power. Further calculation shows that difference-sideband generation can be greatly enhanced via achieving the matching conditions. The effect of difference-sideband generation, which may have potential application for manipulation of light, is especially suitedmore » for on-chip optomechanical devices, where nonlinear optomechanical interaction in the weak coupling regime is within current experimental reach.« less

Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in iron

NASA Astrophysics Data System (ADS)

Djurabekova, F.; Malerba, L.; Pasianot, R. C.; Olsson, P.; Nordlund, K.

2010-07-01

Monte Carlo models are widely used for the study of microstructural and microchemical evolution of materials under irradiation. However, they often link explicitly the relevant activation energies to the energy difference between local equilibrium states. We provide a simple example (di-vacancy migration in iron) in which a rigorous activation energy calculation, by means of both empirical interatomic potentials and density functional theory methods, clearly shows that such a link is not granted, revealing a migration mechanism that a thermodynamics-linked activation energy model cannot predict. Such a mechanism is, however, fully consistent with thermodynamics. This example emphasizes the importance of basing Monte Carlo methods on models where the activation energies are rigorously calculated, rather than deduced from widespread heuristic equations.

Using the Graphing Calculator--in Two-Dimensional Motion Plots.

ERIC Educational Resources Information Center

Brueningsen, Chris; Bower, William

1995-01-01

Presents a series of simple activities involving generalized two-dimensional motion topics to prepare students to study projectile motion. Uses a pair of motion detectors, each connected to a calculator-based-laboratory (CBL) unit interfaced with a standard graphics calculator, to explore two-dimensional motion. (JRH)

Calculation of Temperature Rise in Calorimetry.

ERIC Educational Resources Information Center

Canagaratna, Sebastian G.; Witt, Jerry

1988-01-01

Gives a simple but fuller account of the basis for accurately calculating temperature rise in calorimetry. Points out some misconceptions regarding these calculations. Describes two basic methods, the extrapolation to zero time and the equal area method. Discusses the theoretical basis of each and their underlying assumptions. (CW)

Solvent-Ion Interactions in Salt Water: A Simple Experiment.

ERIC Educational Resources Information Center

Willey, Joan D.

1984-01-01

Describes a procedurally quick, simple, and inexpensive experiment which illustrates the magnitude and some effects of solvent-ion interactions in aqueous solutions. Theoretical information, procedures, and examples of temperature, volume and hydration number calculations are provided. (JN)

Electro-mechanical Properties of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Yang, Liu; Han, Jie; Liu, J. P.; Saubum Subhash (Technical Monitor)

1998-01-01

We present a simple picture to understand the bandgap variation of carbon nanotubes with small tensile and torsional strains, independent of chirality. Using this picture, we are able to predict a simple dependence of d(Bandoap)$/$d(strain) on the value of $(N_x-N_y)*mod 3$, for semiconducting tubes. We also predict a novel change in sign of d(Bandgap)$/$d(strain) as a function of tensile strain arising from a change in the value of $q$ corresponding to the minimum bandgap. These calculations are complemented by calculations of the change in bandgap using energy minimized structures, and some important differences are discussed. The calculations are based on the $i$ electron approximation.

Analysis of cavitation bubble dynamics in a liquid

NASA Technical Reports Server (NTRS)

Fontenot, L. L.; Lee, Y. C.

1971-01-01

General differential equations governing the dynamics of the cavitation bubbles in a liquid were derived. With the assumption of spherical symmetry the governing equations were simplified. Closed form solutions were obtained for simple cases, and numerical solutions were calculated for complicated ones. The growth and the collapse of the bubble were analyzed, oscillations of the bubbles were studied, and the stability of the cavitation bubbles were investigated. The results show that the cavitation bubbles are unstable, and the oscillation is not sinusoidal.

First-principles study of point defects at a semicoherent interface

DOE PAGES

Metsanurk, E.; Tamm, A.; Caro, A.; ...

2014-12-19

Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. Here, we show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single point defects do not delocalize, but remain compact near the interfacial plane in Cu-Nb multilayers. Lastly, we give a simple qualitative explanation for this difference on the basis of the well known limited transferability of empirical potentials.

Correlator optical wavefront sensor COWS

NASA Astrophysics Data System (ADS)

1991-02-01

This report documents the significant upgrades and improvements made to the correlator optical wavefront sensor (COWS) optical bench during this phase of the program. Software for the experiment was reviewed and documented. Flowcharts showing the program flow are included as well as documentation for programs which were written to calculate and display Zernike polynomials. The system was calibrated and aligned and a series of experiments to determine the optimum settings for the input and output MOSLM polarizers were conducted. In addition, design of a simple aberration generation is included.

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

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

Benoist, P.

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

A Simple Transmission Electron Microscopy Method for Fast Thickness Characterization of Suspended Graphene and Graphite Flakes.

PubMed

Rubino, Stefano; Akhtar, Sultan; Leifer, Klaus

2016-02-01

We present a simple, fast method for thickness characterization of suspended graphene/graphite flakes that is based on transmission electron microscopy (TEM). We derive an analytical expression for the intensity of the transmitted electron beam I 0(t), as a function of the specimen thickness t (t<λ; where λ is the absorption constant for graphite). We show that in thin graphite crystals the transmitted intensity is a linear function of t. Furthermore, high-resolution (HR) TEM simulations are performed to obtain λ for a 001 zone axis orientation, in a two-beam case and in a low symmetry orientation. Subsequently, HR (used to determine t) and bright-field (to measure I 0(0) and I 0(t)) images were acquired to experimentally determine λ. The experimental value measured in low symmetry orientation matches the calculated value (i.e., λ=225±9 nm). The simulations also show that the linear approximation is valid up to a sample thickness of 3-4 nm regardless of the orientation and up to several ten nanometers for a low symmetry orientation. When compared with standard techniques for thickness determination of graphene/graphite, the method we propose has the advantage of being simple and fast, requiring only the acquisition of bright-field images.

Bedside risk estimation of morbidly adherent placenta using simple calculator.

PubMed

Maymon, R; Melcer, Y; Pekar-Zlotin, M; Shaked, O; Cuckle, H; Tovbin, J

2018-03-01

To construct a calculator for 'bedside' estimation of morbidly adherent placenta (MAP) risk based on ultrasound (US) findings. This retrospective study included all pregnant women with at least one previous cesarean delivery attending in our US unit between December 2013 and January 2017. The examination was based on a scoring system which determines the probability for MAP. The study population included 471 pregnant women, and 41 of whom (8.7%) were diagnosed with MAP. Based on ROC curve, the most effective US criteria for detection of MAP were the presence of the placental lacunae, obliteration of the utero-placental demarcation, and placenta previa. On the multivariate logistic regression analysis, US findings of placental lacunae (OR = 3.5; 95% CI, 1.2-9.5; P = 0.01), obliteration of the utero-placental demarcation (OR = 12.4; 95% CI, 3.7-41.6; P < 0.0001), and placenta previa (OR = 10.5; 95% CI, 3.5-31.3; P < 0.0001) were associated with MAP. By combining these three parameters, the receiver operating characteristic curve was calculated, yielding an area under the curve of 0.93 (95% CI, 0.87-0.97). Accordingly, we have constructed a simple calculator for 'bedside' estimation of MAP risk. The calculator is mounted on the hospital's internet website ( http://www.assafh.org/Pages/PPCalc/index.html ). The risk estimation of MAP varies between 1.5 and 87%. The present calculator enables a simple 'bedside' MAP estimation, facilitating accurate and adequate antenatal risk assessment.

49 CFR 1141.1 - Procedures to calculate interest rates.

Code of Federal Regulations, 2010 CFR

2010-10-01

... the portion of the year covered by the interest rate. A simple multiplication of the nominal rate by... 49 Transportation 8 2010-10-01 2010-10-01 false Procedures to calculate interest rates. 1141.1... TRANSPORTATION BOARD, DEPARTMENT OF TRANSPORTATION RULES OF PRACTICE PROCEDURES TO CALCULATE INTEREST RATES...

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

Xu, Z; Baker, J; Hsia, A

Purpose: The commercially available Leipzig-style Cone for High Dose Rate (HDR) Brachytherapy has a steep depth dose curve and a non-uniform dose distribution. This work shows the performance of a Ring Surface Applicator created using a 3D printer that can generate a better dose distribution. Calculated doses were verified with film measurement. Methods: The water equivalent red-ABS plastic was used to print the Ring Surface Applicator which hosts three catheters: a center piece with a straight catheter and two concentric rings with diameters of 3.5 and 5.5 cm. Gafchromic EBT2 film, Epson Expression 10000 flatbed scanner, and the online softwaremore » at radiochromic.com were used to analyze the measured data. 10cm×10cm piece of film was sandwiched between two 15×10×5cm3 polystyrene phantoms. The applicator was positioned directly on top of the phantom. Measurement was done using dwell time and positions calculated by Eclipse BrachyVision treatment planning system (RTP). Results: Depth dose curve was generated from the plan and measurement. The results show that the measured and calculated depth dose were in agreement (<3%) from surface to 4mm depth. A discrepancy of 6% was observed at 5 mm depth, where the dose is typically prescribed to. For depths deeper than 5 mm, the measured doses were lower than those calculated by Eclipse BrachyVision. This can be attributed to a combination of simple calculation algorithm using TG-43 and the lack of inhomogeneity correction. Dose profiles at 5 mm depth were also generated from TPS calculation and measured with film. The measured and calculated profiles are similar. Consistent with the depth dose curve, the measured dose is lower than the calculated. Conclusion: Our results showed that the Ring Surface Applicator, printed using 3D printer, can generate more uniform dose distribution within the target volume and can be safely used in the clinic.« less

Can magma-injection and groundwater forces cause massive landslides on Hawaiian volcanoes?

USGS Publications Warehouse

Iverson, R.M.

1995-01-01

Landslides with volumes exceeding 1000 km3 have occurred on the flanks of Hawaiian volcanoes. Because the flanks typically slope seaward no more than 12??, the mechanics of slope failure are problematic. Limit-equilibrium analyses of wedge-shaped slices of the volcano flanks show that magma injection at prospective headscarps might trigger the landslides, but only under very restrictive conditions. Additional calculations show that groundwater head gradients associated with topographically induced flow and sea-level change are less likely to be important. Thus a simple, quantitative explanation for failure of Hawaiian volcano flanks remains elusive, and more complex scenarios may merit investigation. -from Author

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

Sharma, Sanjeev, E-mail: sanjeevsharma145@gmail.com; Kumar, Rajendra, E-mail: khundrakpam-ss@yahoo.com; Singh, Kh. S., E-mail: khundrakpam-ss@yahoo.com

A simple design of broadband one dimensional dielectric/semiconductor multilayer structure having refractive index profile of exponentially graded material has been proposed. The theoretical analysis shows that the proposed structure works as a perfect mirror within a certain wavelength range (1550 nm). In order to calculate the reflection properties a transfer matrix method (TMM) has been used. This property shows that binary graded photonic crystal structures have widened omnidirectional reflector (ODR) bandgap. Hence a exponentially graded photonic crystal structure can be used as a broadband optical reflector and the range of reflection can be tuned to any wavelength region by varying themore » refractive index profile of exponentially graded photonic crystal structure.« less

Calculation of the electric field resulting from human body rotation in a magnetic field

NASA Astrophysics Data System (ADS)

Cobos Sánchez, Clemente; Glover, Paul; Power, Henry; Bowtell, Richard

2012-08-01

A number of recent studies have shown that the electric field and current density induced in the human body by movement in and around magnetic resonance imaging installations can exceed regulatory levels. Although it is possible to measure the induced electric fields at the surface of the body, it is usually more convenient to use numerical models to predict likely exposure under well-defined movement conditions. Whilst the accuracy of these models is not in doubt, this paper shows that modelling of particular rotational movements should be treated with care. In particular, we show that v  ×  B rather than -(v  ·  ∇)A should be used as the driving term in potential-based modelling of induced fields. Although for translational motion the two driving terms are equivalent, specific examples of rotational rigid-body motion are given where incorrect results are obtained when -(v  ·  ∇)A is employed. In addition, we show that it is important to take into account the space charge which can be generated by rotations and we also consider particular cases where neglecting the space charge generates erroneous results. Along with analytic calculations based on simple models, boundary-element-based numerical calculations are used to illustrate these findings.

Molecular simulation of simple fluids and polymers in nanoconfinement

NASA Astrophysics Data System (ADS)

Rasmussen, Christopher John

Prediction of phase behavior and transport properties of simple fluids and polymers confined to nanoscale pores is important to a wide range of chemical and biochemical engineering processes. A practical approach to investigate nanoscale systems is molecular simulation, specifically Monte Carlo (MC) methods. One of the most challenging problems is the need to calculate chemical potentials in simulated phases. Through the seminal work of Widom, practitioners have a powerful method for calculating chemical potentials. Yet, this method fails for dense and inhomogeneous systems, as well as for complex molecules such as polymers. In this dissertation, the gauge cell MC method, which had previously been successfully applied to confined simple fluids, was employed and extended to investigate nanoscale fluids in several key areas. Firstly, the process of cavitation (the formation and growth of bubbles) during desorption of fluids from nanopores was investigated. The dependence of cavitation pressure on pore size was determined with gauge cell MC calculations of the nucleation barriers correlated with experimental data. Additional computational studies elucidated the role of surface defects and pore connectivity in the formation of cavitation bubbles. Secondly, the gauge cell method was extended to polymers. The method was verified against the literature results and found significantly more efficient. It was used to examine adsorption of polymers in nanopores. These results were applied to model the dynamics of translocation, the act of a polymer threading through a small opening, which is implicated in drug packaging and delivery, and DNA sequencing. Translocation dynamics was studied as diffusion along the free energy landscape. Thirdly, we show how computer simulation of polymer adsorption could shed light on the specifics of polymer chromatography, which is a key tool for the analysis and purification of polymers. The quality of separation depends on the physico-chemical mechanisms of polymer/pore interaction. We considered liquid chromatography at critical conditions, and calculated the dependence of the partition coefficient on chain length. Finally, solvent-gradient chromatography was modeled using a statistical model of polymer adsorption. A model for predicting separation of complex polymers (with functional groups or copolymers) was developed for practical use in chromatographic separations.

Wind effect on PV module temperature: Analysis of different techniques for an accurate estimation.

NASA Astrophysics Data System (ADS)

Schwingshackl, Clemens; Petitta, Marcello; Ernst Wagner, Jochen; Belluardo, Giorgio; Moser, David; Castelli, Mariapina; Zebisch, Marc; Tetzlaff, Anke

2013-04-01

In this abstract a study on the influence of wind to model the PV module temperature is presented. This study is carried out in the framework of the PV-Alps INTERREG project in which the potential of different photovoltaic technologies is analysed for alpine regions. The PV module temperature depends on different parameters, such as ambient temperature, irradiance, wind speed and PV technology [1]. In most models, a very simple approach is used, where the PV module temperature is calculated from NOCT (nominal operating cell temperature), ambient temperature and irradiance alone [2]. In this study the influence of wind speed on the PV module temperature was investigated. First, different approaches suggested by various authors were tested [1], [2], [3], [4], [5]. For our analysis, temperature, irradiance and wind data from a PV test facility at the airport Bolzano (South Tyrol, Italy) from the EURAC Institute of Renewable Energies were used. The PV module temperature was calculated with different models and compared to the measured PV module temperature at the single panels. The best results were achieved with the approach suggested by Skoplaki et al. [1]. Preliminary results indicate that for all PV technologies which were tested (monocrystalline, amorphous, microcrystalline and polycrystalline silicon and cadmium telluride), modelled and measured PV module temperatures show a higher agreement (RMSE about 3-4 K) compared to standard approaches in which wind is not considered. For further investigation the in-situ measured wind velocities were replaced with wind data from numerical weather forecast models (ECMWF, reanalysis fields). Our results show that the PV module temperature calculated with wind data from ECMWF is still in very good agreement with the measured one (R² > 0.9 for all technologies). Compared to the previous analysis, we find comparable mean values and an increasing standard deviation. These results open a promising approach for PV module temperature estimation using meteorological parameters. References: [1] Skoplaki, E. et al., 2008: A simple correlation for the operating temperature of photovoltaic modules of arbitrary mounting, Solar Energy Materials & Solar Cells 92, 1393-1402 [2] Skoplaki, E. et al., 2008: Operating temperature of photovoltaic modules: A survey of pertinent correlations, Renewable Energy 34, 23-29 [3] Koehl, M. et al., 2011: Modeling of the nominal operating cell temperature based on outdoor weathering, Solar Energy Materials & Solar Cells 95, 1638-1646 [4] Mattei, M. et al., 2005: Calculation of the polycrystalline PV module temperature using a simple method of energy balance, Renewable Energy 31, 553-567 [5] Kurtz, S. et al.: Evaluation of high-temperature exposure of rack-mounted photovoltaic modules

A simple program to measure and analyse tree rings using Excel, R and SigmaScan

PubMed Central

Hietz, Peter

2011-01-01

I present a new software that links a program for image analysis (SigmaScan), one for spreadsheets (Excel) and one for statistical analysis (R) for applications of tree-ring analysis. The first macro measures ring width marked by the user on scanned images, stores raw and detrended data in Excel and calculates the distance to the pith and inter-series correlations. A second macro measures darkness along a defined path to identify latewood–earlywood transition in conifers, and a third shows the potential for automatic detection of boundaries. Written in Visual Basic for Applications, the code makes use of the advantages of existing programs and is consequently very economic and relatively simple to adjust to the requirements of specific projects or to expand making use of already available code. PMID:26109835

Geometrical correlations in the nucleosomal DNA conformation and the role of the covalent bonds rigidity

PubMed Central

Ghorbani, Maryam; Mohammad-Rafiee, Farshid

2011-01-01

We develop a simple elastic model to study the conformation of DNA in the nucleosome core particle. In this model, the changes in the energy of the covalent bonds that connect the base pairs of each strand of the DNA double helix, as well as the lateral displacements and the rotation of adjacent base pairs are considered. We show that because of the rigidity of the covalent bonds in the sugar-phosphate backbones, the base pair parameters are highly correlated, especially, strong twist-roll-slide correlation in the conformation of the nucleosomal DNA is vividly observed in the calculated results. This simple model succeeds to account for the detailed features of the structure of the nucleosomal DNA, particularly, its more important base pair parameters, roll and slide, in good agreement with the experimental results. PMID:20972223

A simple program to measure and analyse tree rings using Excel, R and SigmaScan.

PubMed

Hietz, Peter

I present a new software that links a program for image analysis (SigmaScan), one for spreadsheets (Excel) and one for statistical analysis (R) for applications of tree-ring analysis. The first macro measures ring width marked by the user on scanned images, stores raw and detrended data in Excel and calculates the distance to the pith and inter-series correlations. A second macro measures darkness along a defined path to identify latewood-earlywood transition in conifers, and a third shows the potential for automatic detection of boundaries. Written in Visual Basic for Applications, the code makes use of the advantages of existing programs and is consequently very economic and relatively simple to adjust to the requirements of specific projects or to expand making use of already available code.

Modelling radiation fluxes in simple and complex environments: basics of the RayMan model.

PubMed

Matzarakis, Andreas; Rutz, Frank; Mayer, Helmut

2010-03-01

Short- and long-wave radiation flux densities absorbed by people have a significant influence on their energy balance. The heat effect of the absorbed radiation flux densities is parameterised by the mean radiant temperature. This paper presents the physical basis of the RayMan model, which simulates the short- and long-wave radiation flux densities from the three-dimensional surroundings in simple and complex environments. RayMan has the character of a freely available radiation and human-bioclimate model. The aim of the RayMan model is to calculate radiation flux densities, sunshine duration, shadow spaces and thermo-physiologically relevant assessment indices using only a limited number of meteorological and other input data. A comparison between measured and simulated values for global radiation and mean radiant temperature shows that the simulated data closely resemble measured data.

A simple kinetic model of a Ne-H2 Penning-plasma laser

NASA Astrophysics Data System (ADS)

Petrov, G. M.; Stefanova, M. S.; Pramatarov, P. M.

1995-09-01

A simple kinetic model of the Ne-H2 Penning-Plasma Laser (PPL) (NeI 585.3 nm) is proposed. The negative glow of a hollow cathode discharge at intermediate pressures is considered as the active medium. The balance equations for the upper and lower laser levels, electrons, ions and electron energy are solved. The dependences of the laser gain on the discharge conditions (Ne and H2 partial pressures, discharge current) are calculated and measured. The calculated values are in a good agreement with the experimental data.

A Simple Formula to Calculate Shallow-Water Transmission Loss by Means of a Least-Squares Surface Fit Technique.

DTIC Science & Technology

1980-09-01

HASTRUP , T REAL UNCLASSIFIED SACLAATCEN- SM-139 N SACLANTCEN Memorandum SM -139 -LEFW SACLANT ASW RESEARCH CENTRE ~ MEMORANDUM A SIMPLE FORMULA TO...CALCULATE SHALLOW-WATER TRANSMISSION LOSS BY MEANS OF A LEAST- SQUARES SURFACE FIT TECHNIQUE 7-sallby OLE F. HASTRUP and TUNCAY AKAL I SEPTEMBER 1980 NORTH...JRANSi4ISSION LOSS/ BY MEANS OF A LEAST-SQUARES SURFACE fIT TECHNIQUE, C T ~e F./ Hastrup .0TnaAa ()1 Sep 8 This memorandum has been prepared within the

Extremely simple holographic projection of color images

NASA Astrophysics Data System (ADS)

Makowski, Michal; Ducin, Izabela; Kakarenko, Karol; Suszek, Jaroslaw; Kolodziejczyk, Andrzej; Sypek, Maciej

2012-03-01

A very simple scheme of holographic projection is presented with some experimental results showing good quality image projection without any imaging lens. This technique can be regarded as an alternative to classic projection methods. It is based on the reconstruction real images from three phase iterated Fourier holograms. The illumination is performed with three laser beams of primary colors. A divergent wavefront geometry is used to achieve an increased throw angle of the projection, compared to plane wave illumination. Light fibers are used as light guidance in order to keep the setup as simple as possible and to provide point-like sources of high quality divergent wave-fronts at optimized position against the light modulator. Absorbing spectral filters are implemented to multiplex three holograms on a single phase-only spatial light modulator. Hence color mixing occurs without any time-division methods, which cause rainbow effects and color flicker. The zero diffractive order with divergent illumination is practically invisible and speckle field is effectively suppressed with phase optimization and time averaging techniques. The main advantages of the proposed concept are: a very simple and highly miniaturizable configuration; lack of lens; a single LCoS (Liquid Crystal on Silicon) modulator; a strong resistance to imperfections and obstructions of the spatial light modulator like dead pixels, dust, mud, fingerprints etc.; simple calculations based on Fast Fourier Transform (FFT) easily processed in real time mode with GPU (Graphic Programming).

A stitch in time saves nine: suture technique does not affect intestinal growth in a young, growing animal model.

PubMed

Gurien, Lori A; Wyrick, Deidre L; Smith, Samuel D; Maxson, R Todd

2016-05-01

Although this issue remains unexamined, pediatric surgeons commonly use simple interrupted suture for bowel anastomosis, as it is thought to improve intestinal growth postoperatively compared to continuous running suture. However, effects on intestinal growth are unclear. We compared intestinal growth using different anastomotic techniques during the postoperative period in young rats. Young, growing rats underwent small bowel transection and anastomosis using either simple interrupted or continuous running technique. At 7-weeks postoperatively after a four-fold growth, the anastomotic site was resected. Diameters and burst pressures were measured. Thirteen rats underwent anastomosis with simple interrupted technique and sixteen with continuous running method. No differences were found in body weight at first (102.46 vs 109.75g) or second operations (413.85 vs 430.63g). Neither the diameters (0.69 vs 0.79cm) nor burst pressures were statistically different, although the calculated circumference was smaller in the simple interrupted group (2.18 vs 2.59cm; p=0.03). No ruptures occurred at the anastomotic line. This pilot study is the first to compare continuous running to simple interrupted intestinal anastomosis in a pediatric model and showed no difference in growth. Adopting continuous running techniques for bowel anastomosis in young children may lead to faster operative time without affecting intestinal growth. Copyright © 2016 Elsevier Inc. All rights reserved.

METALLURGICAL PROGRAMS: CALCULATION OF MASS FROM VOLUME, DENSITY OF MIXTURES, AND CONVERSION OF ATOMIC TO WEIGHT PERCENT

NASA Technical Reports Server (NTRS)

Degroh, H.

1994-01-01

The Metallurgical Programs include three simple programs which calculate solutions to problems common to metallurgical engineers and persons making metal castings. The first program calculates the mass of a binary ideal (alloy) given the weight fractions and densities of the pure components and the total volume. The second program calculates the densities of a binary ideal mixture. The third program converts the atomic percentages of a binary mixture to weight percentages. The programs use simple equations to assist the materials staff with routine calculations. The Metallurgical Programs are written in Microsoft QuickBASIC for interactive execution and have been implemented on an IBM PC-XT/AT operating MS-DOS 2.1 or higher with 256K bytes of memory. All instructions needed by the user appear as prompts as the software is used. Data is input using the keyboard only and output is via the monitor. The Metallurgical programs were written in 1987.

Hirarchical emotion calculation model for virtual human modellin - biomed 2010.

PubMed

Zhao, Yue; Wright, David

2010-01-01

This paper introduces a new emotion generation method for virtual human modelling. The method includes a novel hierarchical emotion structure, a group of emotion calculation equations and a simple heuristics decision making mechanism, which enables virtual humans to perform emotionally in real-time according to their internal and external factors. Emotion calculation equations used in this research were derived from psychologic emotion measurements. Virtual humans can utilise the information in virtual memory and emotion calculation equations to generate their own numerical emotion states within the hierarchical emotion structure. Those emotion states are important internal references for virtual humans to adopt appropriate behaviours and also key cues for their decision making. A simple heuristics theory is introduced and integrated into decision making process in order to make the virtual humans decision making more like a real human. A data interface which connects the emotion calculation and the decision making structure together has also been designed and simulated to test the method in Virtools environment.

Polymer-induced phase separation and crystallization in immunoglobulin G solutions.

PubMed

Li, Jianguo; Rajagopalan, Raj; Jiang, Jianwen

2008-05-28

We study the effects of the size of polymer additives and ionic strength on the phase behavior of a nonglobular protein-immunoglobulin G (IgG)-by using a simple four-site model to mimic the shape of IgG. The interaction potential between the protein molecules consists of a Derjaguin-Landau-Verwey-Overbeek-type colloidal potential and an Asakura-Oosawa depletion potential arising from the addition of polymer. Liquid-liquid equilibria and fluid-solid equilibria are calculated by using the Gibbs ensemble Monte Carlo technique and the Gibbs-Duhem integration (GDI) method, respectively. Absolute Helmholtz energy is also calculated to get an initial coexisting point as required by GDI. The results reveal a nonmonotonic dependence of the critical polymer concentration rho(PEG) (*) (i.e., the minimum polymer concentration needed to induce liquid-liquid phase separation) on the polymer-to-protein size ratio q (equivalently, the range of the polymer-induced depletion interaction potential). We have developed a simple equation for estimating the minimum amount of polymer needed to induce the liquid-liquid phase separation and show that rho(PEG) (*) approximately [q(1+q)(3)]. The results also show that the liquid-liquid phase separation is metastable for low-molecular weight polymers (q=0.2) but stable at large molecular weights (q=1.0), thereby indicating that small sizes of polymer are required for protein crystallization. The simulation results provide practical guidelines for the selection of polymer size and ionic strength for protein phase separation and crystallization.

Piezoelectric coupling factor calculations for plates of langatate driven in simple thickness modes by lateral-field-excitation.

PubMed

Khan, Ajmal; Ballato, Arthur

2002-07-01

Piezoelectric coupling factors for langatate (La3Ga5.5Ta0.5O14) single-crystals driven by lateral-field-excitation have been calculated using the extended Christoffel-Bechmann method. Calculations were made using published materials constants. The results are presented in terms of the lateral piezoelectric coupling factor as functions of in-plane (azimuthal) rotation angle for the three simple thickness vibration modes of some non-rotated, singly-rotated, and doubly-rotated orientations. It is shown that lateral-field-excitation offers the potential to eliminate unwanted vibration modes and to achieve considerably greater piezoelectric coupling versus thickness-field-excitation for the rotated cuts considered and for a doubly-rotated cut that is of potential technological interest.

Digital Game-Based Learning: A Supplement for Medication Calculation Drills in Nurse Education

ERIC Educational Resources Information Center

Foss, Brynjar; Lokken, Atle; Leland, Arne; Stordalen, Jorn; Mordt, Petter; Oftedal, Bjorg F.

2014-01-01

Student nurses, globally, appear to struggle with medication calculations. In order to improve these skills among student nurses, the authors developed The Medication Game--an online computer game that aims to provide simple mathematical and medical calculation drills, and help students practise standard medical units and expressions. The aim of…

A Simple and Convenient Method of Multiple Linear Regression to Calculate Iodine Molecular Constants

ERIC Educational Resources Information Center

Cooper, Paul D.

2010-01-01

A new procedure using a student-friendly least-squares multiple linear-regression technique utilizing a function within Microsoft Excel is described that enables students to calculate molecular constants from the vibronic spectrum of iodine. This method is advantageous pedagogically as it calculates molecular constants for ground and excited…

A Simple Formula for Quantiles on the TI-82/83 Calculator.

ERIC Educational Resources Information Center

Eisner, Milton P.

1997-01-01

The concept of percentile is a fundamental part of every course in basic statistics. Many such courses are now taught to students and require them to have TI-82 or TI-83 calculators. The functions defined in these calculators enable students to easily find the percentiles of a discrete data set. (PVD)

Sensitivity calculations for iteratively solved problems

NASA Technical Reports Server (NTRS)

Haftka, R. T.

1985-01-01

The calculation of sensitivity derivatives of solutions of iteratively solved systems of algebraic equations is investigated. A modified finite difference procedure is presented which improves the accuracy of the calculated derivatives. The procedure is demonstrated for a simple algebraic example as well as an element-by-element preconditioned conjugate gradient iterative solution technique applied to truss examples.

Student understanding of pH: "i don't know what the log actually is, i only know where the button is on my calculator".

PubMed

Watters, Dianne J; Watters, James J

2006-07-01

In foundation biochemistry and biological chemistry courses, a major problem area that has been identified is students' lack of understanding of pH, acids, bases, and buffers and their inability to apply their knowledge in solving acid/base problems. The aim of this study was to explore students' conceptions of pH and their ability to solve problems associated with the behavior of biological acids to understand the source of student difficulties. The responses given by most students are characteristic of an atomistic approach in which they pay no attention to the structure of the problem and concentrate only on juggling the elements together until they get a solution. Many students reported difficulty in understanding what the question was asking and were unable to interpret a simple graph showing the pH activity profile of an enzyme. The most startling finding was the lack of basic understanding of logarithms and the inability of all except one student to perform a simple calculation on logs without a calculator. This deficiency in high school mathematical skills severely hampered their understanding of pH. This study has highlighted a widespread deficiency in basic mathematical skills among first year undergraduates and a fragmented understanding of acids and bases. Implications for the way in which the concepts of pH and buffers are taught are discussed. Copyright © 2006 International Union of Biochemistry and Molecular Biology, Inc.

eQuilibrator--the biochemical thermodynamics calculator.

PubMed

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

eQuilibrator—the biochemical thermodynamics calculator

PubMed Central

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852

A Simple and Reliable Setup for Monitoring Corrosion Rate of Steel Rebars in Concrete

PubMed Central

Jibran, Mohammed Abdul Azeem; Azad, Abul Kalam

2014-01-01

The accuracy in the measurement of the rate of corrosion of steel in concrete depends on many factors. The high resistivity of concrete makes the polarization data erroneous due to the Ohmic drop. The other source of error is the use of an arbitrarily assumed value of the Stern-Geary constant for calculating corrosion current density. This paper presents the outcomes of a research work conducted to develop a reliable and low-cost experimental setup and a simple calculation procedure that can be utilised to calculate the corrosion current density considering the Ohmic drop compensation and the actual value of the Stern-Geary constants calculated using the polarization data. The measurements conducted on specimens corroded to different levels indicate the usefulness of the developed setup to determine the corrosion current density with and without Ohmic drop compensation. PMID:24526907

Numerical calculation of the Fresnel transform.

PubMed

Kelly, Damien P

2014-04-01

In this paper, we address the problem of calculating Fresnel diffraction integrals using a finite number of uniformly spaced samples. General and simple sampling rules of thumb are derived that allow the user to calculate the distribution for any propagation distance. It is shown how these rules can be extended to fast-Fourier-transform-based algorithms to increase calculation efficiency. A comparison with other theoretical approaches is made.

A Simple Approach to the Landau-Zener Formula

ERIC Educational Resources Information Center

Vutha, Amar C.

2010-01-01

The Landau-Zener formula provides the probability of non-adiabatic transitions occurring when two energy levels are swept through an avoided crossing. The formula is derived here in a simple calculation that emphasizes the physics responsible for non-adiabatic population transfer. (Contains 2 figures.)

SIMPLE METHOD FOR THE REPRESENTATION, QUANTIFICATION, AND COMPARISON OF THE VOLUMES AND SHAPES OF CHEMICAL COMPOUNDS

EPA Science Inventory

A conceptually and computationally simple method for the definition, display, quantification, and comparison of the shapes of three-dimensional mathematical molecular models is presented. Molecular or solvent-accessible volume and surface area can also be calculated. Algorithms, ...

Alpha particles diffusion due to charge changes

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

Clauser, C. F., E-mail: cesar.clauser@ib.edu.ar; Farengo, R.

2015-12-15

Alpha particles diffusion due to charge changes in a magnetized plasma is studied. Analytical calculations and numerical simulations are employed to show that this process can be very important in the pedestal-edge-SOL regions. This is the first study that presents clear evidence of the importance of atomic processes on the diffusion of alpha particles. A simple 1D model that includes inelastic collisions with plasma species, “cold” neutrals, and partially ionized species was employed. The code, which follows the exact particle orbits and includes the effect of inelastic collisions via a Monte Carlo type random process, runs on a graphic processormore » unit (GPU). The analytical and numerical results show excellent agreement when a uniform background (plasma and cold species) is assumed. The simulations also show that the gradients in the density of the plasma and cold species, which are large and opposite in the edge region, produce an inward flux of alpha particles. Calculations of the alpha particles flux reaching the walls or divertor plates should include these processes.« less

Structural characterization of mesoporous magnetite nanoparticles synthesized using the leaf extract of Calliandra haematocephala and their photocatalytic degradation of malachite green dye

NASA Astrophysics Data System (ADS)

Sirdeshpande, Karthikey Devadatta; Sridhar, Anushka; Cholkar, Kedar Mohan; Selvaraj, Raja

2018-03-01

A simple method for the synthesis of magnetite nanoparticles using the leaf extract of Calliandra haematocephala has been developed. UV-Vis spectrum showed a characteristic strong absorption band. SEM image revealed the bead-like spherical nanoparticles. EDS showed the prominent peaks for elemental iron and oxygen. PXRD patterns confirmed the crystalline nature and the average crystallite size of 7.45 nm. In addition, the lattice parameter value was calculated to be 8.413 Å, close to Fe3O4 nanoparticles. BET analysis disclosed the total specific surface area of the nanoparticles as 63.89 m2/g and the mesoporous structure of the nanoparticles with a pore radius of 34.18 Å. FTIR studies showed the specific bands at 599.82 and 472.53 cm-1, typical for Fe3O4 nanoparticles. The photocatalytic efficacy of the nanoparticles was demonstrated against the degradation of malachite green dye under sunlight irradiation and the photocatalytic degradation constant was calculated as 0.0621 min-1.

Plasma-assisted oxide removal from ruthenium-coated EUV optics

NASA Astrophysics Data System (ADS)

Dolgov, A.; Lee, C. J.; Bijkerk, F.; Abrikosov, A.; Krivtsun, V. M.; Lopaev, D.; Yakushev, O.; van Kampen, M.

2018-04-01

An experimental study of oxide reduction at the surface of ruthenium layers on top of multilayer mirrors and thin Ru/Si films is presented. Oxidation and reduction processes were observed under conditions close to those relevant for extreme ultraviolet lithography. The oxidized ruthenium surface was exposed to a low-temperature hydrogen plasma, similar to the plasma induced by extreme ultraviolet radiation. The experiments show that hydrogen ions are the main reducing agent. Furthermore, the addition of hydrogen radicals increases the reduction rate beyond that expected from simple flux calculations. We show that low-temperature hydrogen plasmas can be effective for reducing oxidized top surfaces. Our proof-of-concept experiments show that an in situ, EUV-generated plasma cleaning technology is feasible.

Piezoelectric textured ceramics: Effective properties and application to ultrasonic transducers.

PubMed

Levassort, Franck; Pham Thi, Mai; Hemery, Henry; Marechal, Pierre; Tran-Huu-Hue, Louis-Pascal; Lethiecq, Marc

2006-12-22

Piezoelectric textured ceramics obtained by homo-template grain growth (HTGG) were recently demonstrated. A simple model with several assumptions has been used to calculate effective parameters of these new materials. Different connectivities have been simulated to show that spatial arrangements between the considered phases have little influence on the effective parameters, even through the 3-0 connectivity delivers the highest electromechanical thickness factor. A transducer based on a textured ceramic sample has been fabricated and characterised to show the efficiency of these piezoelectric materials. Finally, in a single element transducer configuration, simulation shows an improvement of 2 dB sensitivity for a transducer made with textured ceramic in comparison with a similar transducer design based on standard soft PZT (at equivalent bandwidths).

Calculation of local skin doses with ICRP adult mesh-type reference computational phantoms

NASA Astrophysics Data System (ADS)

Yeom, Yeon Soo; Han, Haegin; Choi, Chansoo; Nguyen, Thang Tat; Lee, Hanjin; Shin, Bangho; Kim, Chan Hyeong; Han, Min Cheol

2018-01-01

Recently, Task Group 103 of the International Commission on Radiological Protection (ICRP) developed new mesh-type reference computational phantoms (MRCPs) for adult males and females in order to address the limitations of the current voxel-type reference phantoms described in ICRP Publication 110 due to their limited voxel resolutions and the nature of the voxel geometry. One of the substantial advantages of the MRCPs over the ICRP-110 reference phantoms is the inclusion of a 50-μm-thick radiosensitive skin basal-cell layer; however, a methodology for calculating the local skin dose (LSD), i.e., the maximum dose to the basal layer averaged over a 1-cm2 area, has yet to be developed. In the present study, a dedicated program for the LSD calculation with the MRCPs was developed based on the mean shift algorithm and the Geant4 Monte Carlo code. The developed program was used to calculate local skin dose coefficients (LSDCs) for electrons and alpha particles, which were then compared with the values given in ICRP Publication 116 that were produced with a simple tissue-equivalent cube model. The results of the present study show that the LSDCs of the MRCPs are generally in good agreement with the ICRP-116 values for alpha particles, but for electrons, significant differences are found at energies higher than 0.15 MeV. The LSDCs of the MRCPs are greater than the ICRP-116 values by as much as 2.7 times at 10 MeV, which is due mainly to the different curvature between realistic MRCPs ( i.e., curved) and the simple cube model ( i.e., flat).

A Simple Method to Estimate Photosynthetic Radiation Use Efficiency of Canopies

PubMed Central

ROSATI, A.; METCALF, S. G.; LAMPINEN, B. D.

2004-01-01

• Background and Aims Photosynthetic radiation use efficiency (PhRUE) over the course of a day has been shown to be constant for leaves throughout a general canopy where nitrogen content (and thus photosynthetic properties) of leaves is distributed in relation to the light gradient. It has been suggested that this daily PhRUE can be calculated simply from the photosynthetic properties of a leaf at the top of the canopy and from the PAR incident on the canopy, which can be obtained from weather‐station data. The objective of this study was to investigate whether this simple method allows estimation of PhRUE of different crops and with different daily incident PAR, and also during the growing season. • Methods The PhRUE calculated with this simple method was compared with that calculated with a more detailed model, for different days in May, June and July in California, on almond (Prunus dulcis) and walnut (Juglans regia) trees. Daily net photosynthesis of 50 individual leaves was calculated as the daylight integral of the instantaneous photosynthesis. The latter was estimated for each leaf from its photosynthetic response to PAR and from the PAR incident on the leaf during the day. • Key Results Daily photosynthesis of individual leaves of both species was linearly related to the daily PAR incident on the leaves (which implies constant PhRUE throughout the canopy), but the slope (i.e. the PhRUE) differed between the species, over the growing season due to changes in photosynthetic properties of the leaves, and with differences in daily incident PAR. When PhRUE was estimated from the photosynthetic light response curve of a leaf at the top of the canopy and from the incident radiation above the canopy, obtained from weather‐station data, the values were within 5 % of those calculated with the more detailed model, except in five out of 34 cases. • Conclusions The simple method of estimating PhRUE is valuable as it simplifies calculation of canopy photosynthesis to a multiplication between the PAR intercepted by the canopy, which can be obtained with remote sensing, and the PhRUE calculated from incident PAR, obtained from standard weather‐station data, and from the photosynthetic properties of leaves at the top of the canopy. The latter properties are the sole crop parameters needed. While being simple, this method describes the differences in PhRUE related to crop, season, nutrient status and daily incident PAR. PMID:15044212

Getting off the Bain path: Are there any metastable states of cubic elements?

NASA Astrophysics Data System (ADS)

Mehl, Michael J.; Boyer, Larry L.

2003-03-01

Body-centered and face-centered cubic crystals can be considered as special cases of a body-centered tetragonal crystal with c/a = 1 and 2, respectively. First-principles calculations along this Bain path show that elements with an fcc (bcc) ground state are elastically unstable with respect to a tetragonal distortion in the bcc (fcc) phase. Starting with a normally fcc element and calculating E(c/a) for c/a < 1 we find a local minimum near c/a = 2/3, while for a bcc element we find a local minimum at some c/a > 2. It is tempting to conclude that these bct minima, which are required by continuity, are metastable, but calculations by several authors show that, at least for Al, Cu, and Pd, the bct structures are unstable with respect to an orthorhombic distortion. We use a simple "magic strain" construction(L. L. Boyer, Acta Cryst. A) 45, FC29 (1989).(M. J. Mehl and L. L. Boyer, Phys. Rev. B) 43, 9498 (1991). to study the stability of these bct states, and present examples which suggest that no fcc or bcc element has a metastable bct state.

Auxiliary basis expansions for large-scale electronic structure calculations

PubMed Central

Jung, Yousung; Sodt, Alex; Gill, Peter M. W.; Head-Gordon, Martin

2005-01-01

One way to reduce the computational cost of electronic structure calculations is to use auxiliary basis expansions to approximate four-center integrals in terms of two- and three-center integrals, usually by using the variationally optimum Coulomb metric to determine the expansion coefficients. However, the long-range decay behavior of the auxiliary basis expansion coefficients has not been characterized. We find that this decay can be surprisingly slow. Numerical experiments on linear alkanes and a toy model both show that the decay can be as slow as 1/r in the distance between the auxiliary function and the fitted charge distribution. The Coulomb metric fitting equations also involve divergent matrix elements for extended systems treated with periodic boundary conditions. An attenuated Coulomb metric that is short-range can eliminate these oddities without substantially degrading calculated relative energies. The sparsity of the fit coefficients is assessed on simple hydrocarbon molecules and shows quite early onset of linear growth in the number of significant coefficients with system size using the attenuated Coulomb metric. Hence it is possible to design linear scaling auxiliary basis methods without additional approximations to treat large systems. PMID:15845767

Sulfanilic acid-modified chitosan mini-spheres and their application for lysozyme purification from egg white.

PubMed

Hirsch, Daniela B; Baieli, María F; Urtasun, Nicolás; Lázaro-Martínez, Juan M; Glisoni, Romina J; Miranda, María V; Cascone, Osvaldo; Wolman, Federico J

2018-03-01

A cation exchange matrix with zwitterionic and multimodal properties was synthesized by a simple reaction sequence coupling sulfanilic acid to a chitosan based support. The novel chromatographic matrix was physico-chemically characterized by ss-NMR and ζ potential, and its chromatographic performance was evaluated for lysozyme purification from diluted egg white. The maximum adsorption capacity, calculated according to Langmuir adsorption isotherm, was 50.07 ± 1.47 mg g -1 while the dissociation constant was 0.074 ± 0.012 mg mL -1 . The process for lysozyme purification from egg white was optimized, with 81.9% yield and a purity degree of 86.5%, according to RP-HPLC analysis. This work shows novel possible applications of chitosan based materials. The simple synthesis reactions combined with the simple mode of use of the chitosan matrix represents a novel method to purify proteins from raw starting materials. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 34:387-396, 2018. © 2017 American Institute of Chemical Engineers.

Vapor-phase deposition of polymers as a simple and versatile technique to generate paper-based microfluidic platforms for bioassay applications.

PubMed

Demirel, Gokhan; Babur, Esra

2014-05-21

Given their simplicity and functionality, paper-based microfluidic systems are considered to be ideal and promising bioassay platforms for use in less developed countries or in point-of-care services. Although a series of innovative techniques have recently been demonstrated for the fabrication of such platforms, development of simple, inexpensive and versatile new strategies are still needed in order to reach their full potential. In this communication, we describe a simple yet facile approach to fabricate paper-based sensor platforms with a desired design through a vapor-phase polymer deposition technique. We also show that the fabricated platforms could be readily employed for the detection of various biological target molecules including glucose, protein, ALP, ALT, and uric acid. The limit of detection for each target molecule was calculated to be 25 mg dL(-1) for glucose, 1.04 g L(-1) for protein, 7.81 unit per L for ALP, 1.6 nmol L(-1) for ALT, and 0.13 mmol L(-1) for uric acid.

Shot-Noise Limited Single-Molecule FRET Histograms: Comparison between Theory and Experiments†

PubMed Central

Nir, Eyal; Michalet, Xavier; Hamadani, Kambiz M.; Laurence, Ted A.; Neuhauser, Daniel; Kovchegov, Yevgeniy; Weiss, Shimon

2011-01-01

We describe a simple approach and present a straightforward numerical algorithm to compute the best fit shot-noise limited proximity ratio histogram (PRH) in single-molecule fluorescence resonant energy transfer diffusion experiments. The key ingredient is the use of the experimental burst size distribution, as obtained after burst search through the photon data streams. We show how the use of an alternated laser excitation scheme and a correspondingly optimized burst search algorithm eliminates several potential artifacts affecting the calculation of the best fit shot-noise limited PRH. This algorithm is tested extensively on simulations and simple experimental systems. We find that dsDNA data exhibit a wider PRH than expected from shot noise only and hypothetically account for it by assuming a small Gaussian distribution of distances with an average standard deviation of 1.6 Å. Finally, we briefly mention the results of a future publication and illustrate them with a simple two-state model system (DNA hairpin), for which the kinetic transition rates between the open and closed conformations are extracted. PMID:17078646

Sum-rule corrections: a route to error cancellations in correlation matrix renormalisation theory

NASA Astrophysics Data System (ADS)

Liu, C.; Liu, J.; Yao, Y. X.; Wang, C. Z.; Ho, K. M.

2017-03-01

We recently proposed the correlation matrix renormalisation (CMR) theory to efficiently and accurately calculate ground state total energy of molecular systems, based on the Gutzwiller variational wavefunction (GWF) to treat the electronic correlation effects. To help reduce numerical complications and better adapt the CMR to infinite lattice systems, we need to further refine the way to minimise the error originated from the approximations in the theory. This conference proceeding reports our recent progress on this key issue, namely, we obtained a simple analytical functional form for the one-electron renormalisation factors, and introduced a novel sum-rule correction for a more accurate description of the intersite electron correlations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.

Sodium sulfate - Deposition and dissolution of silica

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.

1989-01-01

The hot-corrosion process for SiO2-protected materials involves deposition of Na2SO4 and dissolution of the protective SiO2 scale. Dew points for Na2SO4 deposition are calculated as a function of pressure, sodium content, and sulfur content. Expected dissolution regimes for SiO2 are calculated as a function of Na2SO4 basicity. Controlled-condition burner-rig tests on quartz verify some of these predicted dissolution regimes. The basicity of Na2SO4 is not always a simple function of P(SO3). Electrochemical measurements of an (Na2O) show that carbon creates basic conditions in Na2SO4, which explains the extensive corrosion of SiO2-protected materials containing carbon, such as SiC.

Cooling the Martian atmosphere: The spectral overlap of the C02 15 micrometers band and dust

NASA Technical Reports Server (NTRS)

Lindner, Bernhard Lee

1994-01-01

Careful consideration must be given to the simultaneous treatment of the radiative transfer of the CO2 15 micron band and dust calculations for the Martian winter polar region show that a simple sum of separately calculated CO2 cooling rates and dust cooling rates can easily result a 30 percent error in the net cooling particularly near the surface. CO2 and dust hinder each others ability to cool the atmosphere. Even during periods of low dust opacity, dust still reduces the efficacy of CO2 at cooling the atmosphere. At the other extreme, when dust storms occur, CO2 still significantly impedes the ability of dust to cool the atmosphere. Hence, both CO2 and dust must be considered in radiative transfer models.

Absorption Kinetics of Phage Lambda on Its Host Under Shear Flow

NASA Astrophysics Data System (ADS)

Yip, C. W.; Wu, X. L.

2000-03-01

Classical blender experiment by Hershey and Chase played a seminal role in illustrating the infectious process of bacteriophage to its host, and showed unequivocally that DNA is responsible for the transmission of heredity. Subsequent works by others have established that interaction between phage particles and bacterial cells is a diffusion-limited process in that, statistically speaking, each collision results in an irreversible infection. However, such a result is hard to reconcile with the fact that the infection appears to be independent of the density of phage receptors on the bacterial cell membrane. Thus, quantitative experiments showing how a phage finds its receptor and how long does it take would be valuable to this paradoxical view. Simple calculations based on Brownian motion of the phage particles show that the interaction time between the receptor and the phage is given by tau=b^2/(5D), where b is the length of the phage and D is its diffusion coefficient. Using a shear flow apparatus we study absorption kinetics of lambda phage on E. Coli (strain YMEL) under different flow conditions, and the results are compared with a simple diffusion model taking into account the hydrodynamic convection and the interaction time tau.

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

Steinberg, Elad; Sari, Re'em, E-mail: elad.steinberg@mail.huji.ac.il

The rotation states of kilometer-sized near-Earth asteroids are known to be affected by the Yarkevsky O'Keefe-Radzievskii-Paddack (YORP) effect. In a related effect, binary YORP (BYORP), the orbital properties of a binary asteroid evolve under a radiation effect mostly acting on a tidally locked secondary. The BYORP effect can alter the orbital elements over {approx}10{sup 4}-10{sup 5} years for a D{sub p} = 2 km primary with a D{sub s} = 0.4 km secondary at 1 AU. It can either separate the binary components or cause them to collide. In this paper, we devise a simple approach to calculate the YORPmore » effect on asteroids and the BYORP effect on binaries including J{sub 2} effects due to primary oblateness and the Sun. We apply this to asteroids with known shapes as well as a set of randomly generated bodies with various degrees of smoothness. We find a strong correlation between the strengths of an asteroid's YORP and BYORP effects. Therefore, statistical knowledge of one could be used to estimate the effect of the other. We show that the action of BYORP preferentially shrinks rather than expands the binary orbit and that YORP preferentially slows down asteroids. This conclusion holds for the two extremes of thermal conductivities studied in this work and the assumption that the asteroid reaches a stable point, but may break down for moderate thermal conductivity. The YORP and BYORP effects are shown to be smaller than could be naively expected due to near cancellation of the effects at small scales. Taking this near cancellation into account, a simple order-of-magnitude estimate of the YORP and BYORP effects as a function of the sizes and smoothness of the bodies is calculated. Finally, we provide a simple proof showing that there is no secular effect due to absorption of radiation in BYORP.« less

Comparison between ray-tracing and physical optics for the computation of light absorption in capillaries--the influence of diffraction and interference.

PubMed

Qin, Yuan; Michalowski, Andreas; Weber, Rudolf; Yang, Sen; Graf, Thomas; Ni, Xiaowu

2012-11-19

Ray-tracing is the commonly used technique to calculate the absorption of light in laser deep-penetration welding or drilling. Since new lasers with high brilliance enable small capillaries with high aspect ratios, diffraction might become important. To examine the applicability of the ray-tracing method, we studied the total absorptance and the absorbed intensity of polarized beams in several capillary geometries. The ray-tracing results are compared with more sophisticated simulations based on physical optics. The comparison shows that the simple ray-tracing is applicable to calculate the total absorptance in triangular grooves and in conical capillaries but not in rectangular grooves. To calculate the distribution of the absorbed intensity ray-tracing fails due to the neglected interference, diffraction, and the effects of beam propagation in the capillaries with sub-wavelength diameter. If diffraction is avoided e.g. with beams smaller than the entrance pupil of the capillary or with very shallow capillaries, the distribution of the absorbed intensity calculated by ray-tracing corresponds to the local average of the interference pattern found by physical optics.

Simplified method for the calculation of irregular waves in the coastal zone

NASA Astrophysics Data System (ADS)

Leont'ev, I. O.

2011-04-01

A method applicable for the estimation of the wave parameters along a set bottom profile is suggested. It takes into account the principal processes having an influence on the waves in the coastal zone: the transformation, refraction, bottom friction, and breaking. The ability to use a constant mean value of the friction coefficient under conditions of sandy shores is implied. The wave breaking is interpreted from the viewpoint of the concept of the limiting wave height at a given depth. The mean and root-mean-square wave heights are determined by the height distribution function, which transforms under the effect of the breaking. The verification of the method on the basis of the natural data shows that the calculation results reproduce the observed variations of the wave heights in a wide range of conditions, including profiles with underwater bars. The deviations from the calculated values mostly do not exceed 25%, and the mean square error is 11%. The method does not require a preliminary setting and can be implemented in the form of a relatively simple calculator accessible even for an inexperienced user.

Model for Vortex Ring State Influence on Rotorcraft Flight Dynamics

NASA Technical Reports Server (NTRS)

Johnson, Wayne

2005-01-01

The influence of vortex ring state (VRS) on rotorcraft flight dynamics is investigated, specifically the vertical velocity drop of helicopters and the roll-off of tiltrotors encountering VRS. The available wind tunnel and flight test data for rotors in vortex ring state are reviewed. Test data for axial flow, non-axial flow, two rotors, unsteadiness, and vortex ring state boundaries are described and discussed. Based on the available measured data, a VRS model is developed. The VRS model is a parametric extension of momentum theory for calculation of the mean inflow of a rotor, hence suitable for simple calculations and real-time simulations. This inflow model is primarily defined in terms of the stability boundary of the aircraft motion. Calculations of helicopter response during VRS encounter were performed, and good correlation is shown with the vertical velocity drop measured in flight tests. Calculations of tiltrotor response during VRS encounter were performed, showing the roll-off behavior characteristic of tiltrotors. Hence it is possible, using a model of the mean inflow of an isolated rotor, to explain the basic behavior of both helicopters and tiltrotors in vortex ring state.

Instanton rate constant calculations close to and above the crossover temperature.

PubMed

McConnell, Sean; Kästner, Johannes

2017-11-15

Canonical instanton theory is known to overestimate the rate constant close to a system-dependent crossover temperature and is inapplicable above that temperature. We compare the accuracy of the reaction rate constants calculated using recent semi-classical rate expressions to those from canonical instanton theory. We show that rate constants calculated purely from solving the stability matrix for the action in degrees of freedom orthogonal to the instanton path is not applicable at arbitrarily low temperatures and use two methods to overcome this. Furthermore, as a by-product of the developed methods, we derive a simple correction to canonical instanton theory that can alleviate this known overestimation of rate constants close to the crossover temperature. The combined methods accurately reproduce the rate constants of the canonical theory along the whole temperature range without the spurious overestimation near the crossover temperature. We calculate and compare rate constants on three different reactions: H in the Müller-Brown potential, methylhydroxycarbene → acetaldehyde and H 2  + OH → H + H 2 O. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Power flows and Mechanical Intensities in structural finite element analysis

NASA Technical Reports Server (NTRS)

Hambric, Stephen A.

1989-01-01

The identification of power flow paths in dynamically loaded structures is an important, but currently unavailable, capability for the finite element analyst. For this reason, methods for calculating power flows and mechanical intensities in finite element models are developed here. Formulations for calculating input and output powers, power flows, mechanical intensities, and power dissipations for beam, plate, and solid element types are derived. NASTRAN is used to calculate the required velocity, force, and stress results of an analysis, which a post-processor then uses to calculate power flow quantities. The SDRC I-deas Supertab module is used to view the final results. Test models include a simple truss and a beam-stiffened cantilever plate. Both test cases showed reasonable power flow fields over low to medium frequencies, with accurate power balances. Future work will include testing with more complex models, developing an interactive graphics program to view easily and efficiently the analysis results, applying shape optimization methods to the problem with power flow variables as design constraints, and adding the power flow capability to NASTRAN.

Determination of stress intensity factors for interface cracks under mixed-mode loading

NASA Technical Reports Server (NTRS)

Naik, Rajiv A.; Crews, John H., Jr.

1992-01-01

A simple technique was developed using conventional finite element analysis to determine stress intensity factors, K1 and K2, for interface cracks under mixed-mode loading. This technique involves the calculation of crack tip stresses using non-singular finite elements. These stresses are then combined and used in a linear regression procedure to calculate K1 and K2. The technique was demonstrated by calculating three different bimaterial combinations. For the normal loading case, the K's were within 2.6 percent of an exact solution. The normalized K's under shear loading were shown to be related to the normalized K's under normal loading. Based on these relations, a simple equation was derived for calculating K1 and K2 for mixed-mode loading from knowledge of the K's under normal loading. The equation was verified by computing the K's for a mixed-mode case with equal and normal shear loading. The correlation between exact and finite element solutions is within 3.7 percent. This study provides a simple procedure to compute K2/K1 ratio which has been used to characterize the stress state at the crack tip for various combinations of materials and loadings. Tests conducted over a range of K2/K1 ratios could be used to fully characterize interface fracture toughness.

Evaluating the scattered radiation intensity in CBCT

NASA Astrophysics Data System (ADS)

Gonçalves, O. D.; Boldt, S.; Nadaes, M.; Devito, K. L.

2018-03-01

In this work we calculate the ratio between scattered and transmitted photons (STRR) by a water cylinder reaching a detector matrix element (DME) in a flat array of detectors, similar to the used in cone beam tomography (CBCT), as a function of the field of view (FOV) and the irradiated volume of the scanned object. We perform the calculation by obtaining an equation to determine the scattered and transmitted radiation and building a computer code in order to calculate the contribution of all voxels of the sample. We compare calculated results with the shades of gray in a central slice of a tomography obtained from a cylindrical glass container filled with distilled water. The tomography was performed with an I-CAT tomograph (Imaging Science International), from the Department of Dental Clinic - Oral Radiology, Universidade Federal de Juiz de Fora. The shade of gray (voxel gray value - VGV) was obtained using the software provided with the I-CAT. The experimental results show a general behavior compatible with theoretical previsions attesting the validity of the method used to calculate the scattering contributions from simple scattering theories in cone beam tomography. The results also attest to the impossibility of obtaining Hounsfield values from a CBCT.

Inelastic transport theory from first principles: Methodology and application to nanoscale devices

NASA Astrophysics Data System (ADS)

Frederiksen, Thomas; Paulsson, Magnus; Brandbyge, Mads; Jauho, Antti-Pekka

2007-05-01

We describe a first-principles method for calculating electronic structure, vibrational modes and frequencies, electron-phonon couplings, and inelastic electron transport properties of an atomic-scale device bridging two metallic contacts under nonequilibrium conditions. The method extends the density-functional codes SIESTA and TRANSIESTA that use atomic basis sets. The inelastic conductance characteristics are calculated using the nonequilibrium Green’s function formalism, and the electron-phonon interaction is addressed with perturbation theory up to the level of the self-consistent Born approximation. While these calculations often are computationally demanding, we show how they can be approximated by a simple and efficient lowest order expansion. Our method also addresses effects of energy dissipation and local heating of the junction via detailed calculations of the power flow. We demonstrate the developed procedures by considering inelastic transport through atomic gold wires of various lengths, thereby extending the results presented in Frederiksen [Phys. Rev. Lett. 93, 256601 (2004)]. To illustrate that the method applies more generally to molecular devices, we also calculate the inelastic current through different hydrocarbon molecules between gold electrodes. Both for the wires and the molecules our theory is in quantitative agreement with experiments, and characterizes the system-specific mode selectivity and local heating.

Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties

PubMed Central

Island, Joshua O.; Biele, Robert; Barawi, Mariam; Clamagirand, José M.; Ares, José R.; Sánchez, Carlos; van der Zant, Herre S. J.; Ferrer, Isabel J.; D’Agosta, Roberto; Castellanos-Gomez, Andres

2016-01-01

We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show marked anisotropy of their in-plane mobilities reaching ratios as high as 7.6 at low temperatures. Based on the preferential growth axis of TiS3 nanoribbons, we develop a simple method to identify the in-plane crystalline axes of exfoliated few-layer flakes through angle resolved polarization Raman spectroscopy. Optical transmission measurements show that TiS3 flakes display strong linear dichroism with a magnitude (transmission ratios up to 30) much greater than that observed for other anisotropic two-dimensional (2D) materials. Finally, we calculate the absorption and transmittance spectra of TiS3 in the random-phase-approximation (RPA) and find that the calculations are in qualitative agreement with the observed experimental optical transmittance. PMID:26931161

Fe-vacancy ordering in superconducting K 1–xFe 2–ySe 2: First-principles calculations and Monte Carlo simulations

DOE PAGES

Fang, Yong; Tai, Yuan -Yen; Deng, Junkai; ...

2015-07-20

Fe vacancies in the 33 K superconductor K 1–xFe 2–ySe 2 show ordering schemes that may be correlated with its superconducting properties. First-principles calculations and kinetic Monte Carlo simulations lead to a very simple model for vacancy ordering. Repulsive dipolar interactions between Fe vacancies show three ground states: amore » $$\\sqrt{8}\\times \\sqrt{10}$$ rhombus-ordered structure for 12.5% vacancies, a $$\\sqrt{5}\\times \\sqrt{5}$$ squared lattice for 20% vacancies, and a $$\\sqrt{5}\\times \\sqrt{5}$$ rhombus-ordered structure for 25% vacancies. Other structural states are derived from these three ground states and may contain additional disordered spatial regions. As a result, the repulsive interaction between Fe vacancies arises from enhanced Fe–Se covalent bonds, which differs from the well-known attractive interaction of Fe vacancies in body-centered cubic Fe.« less

A Recursive Method for Calculating Certain Partition Functions.

ERIC Educational Resources Information Center

Woodrum, Luther; And Others

1978-01-01

Describes a simple recursive method for calculating the partition function and average energy of a system consisting of N electrons and L energy levels. Also, presents an efficient APL computer program to utilize the recursion relation. (Author/GA)

A simple procedure for the estimation of neutron skyshine from proton accelerators.

PubMed

Stevenson, G R; Thomas, R H

1984-01-01

Recent calculations of neutron diffusion at an air/ground interface have enabled the establishment of a very simple procedure for estimating neutron dose equivalent at large distances from proton accelerators in the energy range 10 MeV to several tens of GeV.

Time-dependent density functional theory study of the luminescence properties of gold phosphine thiolate complexes.

PubMed

Guidez, Emilie B; Aikens, Christine M

2015-04-09

The origin of the emission of the gold phosphine thiolate complex (TPA)AuSCH(CH3)2 (TPA = 1,3,5-triaza-7-phosphaadamantanetriylphosphine) is investigated using time-dependent density functional theory (TDDFT). This system absorbs light at 3.6 eV, which corresponds mostly to a ligand-to-metal transition with some interligand character. The P-Au-S angle decreases upon relaxation in the S1 and T1 states. Our calculations show that these two states are strongly spin-orbit coupled at the ground state geometry. Ligand effects on the optical properties of this complex are also discussed by looking at the simple AuP(CH3)3SCH3 complex. The excitation energies differ by several tenths of an electronvolt. Excited state optimizations show that the excited singlet and triplet of the (TPA)AuSCH(CH3)2 complex are bent. On the other hand, the Au-S bond breaks in the excited state for the simple complex, and TDDFT is no longer an adequate method. The excited state energy landscape of gold phosphine thiolate systems is very complex, with several state crossings. This study also shows that the formation of the [(TPA)AuSCH(CH3)2]2 dimer is favorable in the ground state. The inclusion of dispersion interactions in the calculations affects the optimized geometries of both ground and excited states. Upon excitation, the formation of a Au-Au bond occurs, which results in an increase in energy of the low energy excited states in comparison to the monomer. The experimentally observed emission of the (TPA)AuSCH(CH3)2 complex at 1.86 eV cannot be unambiguously assigned and may originate from several excited states.

Origin of the pressure-dependent Tc valley in superconducting simple cubic phosphorus

NASA Astrophysics Data System (ADS)

Wu, Xianxin; Jeschke, Harald O.; Di Sante, Domenico; von Rohr, Fabian O.; Cava, Robert J.; Thomale, Ronny

2018-03-01

Motivated by recent experiments, we investigate the pressure-dependent electronic structure and electron-phonon (e-ph) coupling for simple cubic phosphorus by performing first-principles calculations within the full potential linearized augmented plane-wave method. As a function of increasing pressure, our calculations show a valley feature in Tc, followed by an eventual decrease for higher pressures. We demonstrate that this Tc valley at low pressures is due to two nearby Lifshitz transitions, as we analyze the band-resolved contributions to the e-ph coupling. Below the first Lifshitz transition, the phonon hardening and shrinking of the γ Fermi surface with s -orbital character results in a decreased Tc with increasing pressure. After the second Lifshitz transition, the appearance of δ Fermi surfaces with 3 d -orbital character generate strong e-ph interband couplings in α δ and β δ channels, and hence lead to an increase of Tc. For higher pressures, the phonon hardening finally dominates, and Tc decreases again. Our study reveals that the intriguing Tc valley discovered in experiment can be attributed to Lifshitz transitions, while the plateau of Tc detected at intermediate pressures appears to be beyond the scope of our analysis. This strongly suggests that aside from e-ph coupling, electronic correlations along with plasmonic contributions may be relevant for simple cubic phosphorus. Our findings hint at the notion that increasing pressure can shift the low-energy orbital weight towards d character, and as such even trigger an enhanced importance of orbital-selective electronic correlations despite an increase of the overall bandwidth.

Comparing energy payback and simple payback period for solar photovoltaic systems

NASA Astrophysics Data System (ADS)

Kessler, Will

2017-11-01

Installing a solar photovoltaic (PV) array is both an environmental and a financial decision. The financial arguments often take priority over the environmental because installing solar is capital-intensive. The Simple Payback period (SPB) is often assessed prior to the adoption of solar PV at a residence or a business. Although it better describes the value of solar PV electricity in terms of sustainability, the Energy Payback period (EPB) is seldom used to gauge the merits of an installation. Using published estimates of embodied energies, EPB was calculated for four solar PV plants utilizing crystalline-Si technology: three being actual commercial installations located in the northeastern U.S., and a fourth installation based on a simulated 20-kilowatt roof-mounted system, in Wrocław, Poland. Simple Payback was calculated based on initial capital cost, and on the availability of avoided electricity costs based on net-metering tariffs, which at present in the U.S. are 1:1 credit ratio, and in Poland is 1:0.7 credit ratio. For all projects, the EPB time was estimated at between 1.9 and 2.6 years. In contrast, the SPB for installed systems in the northeastern U.S. ranged from 13.3 to 14.6 years, and was estimated at 13.5 years for the example system in Lower Silesia, Poland. The comparison between SPB and EPB shows a disparity between motivational time frames, in which the wait for financial return is considerably longer than the wait for net energy harvest and the start of sustainable power production.

Payback as an investment criterion for sawmill improvement projects

Treesearch

G. B. Harpole

1983-01-01

Methods other than presented here should be used to assess projects for likely return on investment; but, payback is simple to calculate and can be used for calculations that will indicate the relative attractiveness of alternative improvement projects. This paper illustrates how payback ratios are calculated, how they can be used to rank alternative improvement...

PVWatts ® Calculator: India (Fact Sheet)

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

None, None

The PVWatts ® Calculator for India was released by the National Renewable Energy Laboratory in 2013. The online tool estimates electricity production and the monetary value of that production of grid-connected roof- or ground-mounted crystalline silicon photovoltaics systems based on a few simple inputs. This factsheet provides a broad overview of the PVWatts ® Calculator for India.

Simplified Calculation Of Solar Fluxes In Solar Receivers

NASA Technical Reports Server (NTRS)

Bhandari, Pradeep

1990-01-01

Simplified Calculation of Solar Flux Distribution on Side Wall of Cylindrical Cavity Solar Receivers computer program employs simple solar-flux-calculation algorithm for cylindrical-cavity-type solar receiver. Results compare favorably with those of more complicated programs. Applications include study of solar energy and transfer of heat, and space power/solar-dynamics engineering. Written in FORTRAN 77.

Boundary condition determined wave functions for the ground states of one- and two-electron homonuclear molecules

NASA Astrophysics Data System (ADS)

Patil, S. H.; Tang, K. T.; Toennies, J. P.

1999-10-01

Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ground states of one-and two-electron homonuclear molecules. Both the asymptotic condition when one electron is far away and the cusp condition when the electron coalesces with a nucleus are satisfied by the proposed wave function. For H2+, the resulting wave function is almost identical to the Guillemin-Zener wave function which is known to give very good energies. For the two electron systems H2 and He2++, the additional electron-electron cusp condition is rigorously accounted for by a simple analytic correlation function which has the correct behavior not only for r12→0 and r12→∞ but also for R→0 and R→∞, where r12 is the interelectronic distance and R, the internuclear distance. Energies obtained from these simple wave functions agree within 2×10-3 a.u. with the results of the most sophisticated variational calculations for all R and for all systems studied. This demonstrates that rather simple physical considerations can be used to derive very accurate wave functions for simple molecules thereby avoiding laborious numerical variational calculations.

Theory of hydrophobicity: transient cavities in molecular liquids

NASA Technical Reports Server (NTRS)

Pratt, L. R.; Pohorille, A.

1992-01-01

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or "squeezing" force, reaches a maximum near cavity diameters of 2.4 angstroms. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studied here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems.

Theory of hydrophobicity: Transient cavities in molecular liquids

PubMed Central

Pratt, Lawrence R.; Pohorille, Andrew

1992-01-01

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or “squeezing” force, reaches a maximum near cavity diameters of 2.4 Å. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studies here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems. PMID:11537863

Generation of dark hollow beam by use of phase-only filtering

NASA Astrophysics Data System (ADS)

Liu, Zhengjun; Dai, Jingmin; Zhao, Xiaoyi; Sun, Xiaogang; Liu, Shutian; Ashfaq Ahmad, Muhammad

2009-11-01

A simple but effective scheme to generate dark hollow beams is proposed by use of phase-only filtering and optical Fourier transform. A Gaussian beam of fundamental mode is modulated by a pre-designed phase mask, which is a piecewise modification of an axicon lens, and followed by a Fourier transform to generate an ideal dark hollow beam at the focal plane. This method has an advantage that the total energy of the beam is conserved under paraxial approximation. Numerical calculations are provided to show the validity of the proposed scheme.

Diffusion and chaos from near AdS 2 horizons

DOE PAGES

Blake, Mike; Donos, Aristomenis

2017-02-03

We calculate the thermal diffusivity D =more » $$\\kappa/c_\\rho$$ and butterfy velocity $$\\upsilon_\\beta$$ in holographic models that flow to $$AdS_2$$ x $R^d$ fixed points in the infra-red. We show that both these quantities are governed by the same irrelevant deformation of $$AdS_2$$ and hence establish a simple relationship between them. When this deformation corresponds to a universal dilaton mode of dimension $$\\Delta$$ = 2 then this relationship is always given by D = $$\\upsilon_B^2$$/(2$$\\pi$$T).« less

Charge redistribution from novel magneto-vorticity coupling in anomalous hydrodynamics

NASA Astrophysics Data System (ADS)

Hattori, Koichi; Yin, Yi

2017-11-01

We discuss new transport phenomena in the presence of both a strong magnetic field and a vortex field. Their interplay induces a charge distribution and a current along the magnetic field. We show that the associated transport coefficients can be obtained from a simple analysis of the single-particle distribution functions and also from the Kubo formula calculation. The consistent results from these analyses suggest that the transport coefficients are tied to the chiral anomaly in the (1 + 1) dimension because of the dimensional reduction in the lowest Landau levels.

Jet-A fuel evaporation analysis in conical tube injectors

NASA Technical Reports Server (NTRS)

Lai, M.-C.; Chue, T.-H.; Zhu, G.; Sun, H.; Tacina, R.; Chun, K.; Hicks, Y.

1991-01-01

A simple one-dimensional drop-life-history analysis and a multidimensional spray calculation using KIVA-II code are applied to the vaporization of Jet-A fuel in multiple tube injectors. Within the assumptions of the analysis, the one-dimensional results are useful for design purposes. The pressure-atomizer breakup models do not accurately predict the dropsize measured experimentally or deduced from the one-dimensional analysis. Cold flow visualization and dropsize measurements show that capillary wave breakup mechanism plays an important role in the spray angle and droplet impingement on the tube wall.

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

Chang, J; Gu, X; Lu, W

Purpose: A novel distance-dose weighting method for label fusion was developed to increase segmentation accuracy in dosimetrically important regions for prostate radiation therapy. Methods: Label fusion as implemented in the original SIMPLE (OS) for multi-atlas segmentation relies iteratively on the majority vote to generate an estimated ground truth and DICE similarity measure to screen candidates. The proposed distance-dose weighting puts more values on dosimetrically important regions when calculating similarity measure. Specifically, we introduced distance-to-dose error (DDE), which converts distance to dosimetric importance, in performance evaluation. The DDE calculates an estimated DE error derived from surface distance differences between the candidatemore » and estimated ground truth label by multiplying a regression coefficient. To determine the coefficient at each simulation point on the rectum, we fitted DE error with respect to simulated voxel shift. The DEs were calculated by the multi-OAR geometry-dosimetry training model previously developed in our research group. Results: For both the OS and the distance-dose weighted SIMPLE (WS) results, the evaluation metrics for twenty patients were calculated using the ground truth segmentation. The mean difference of DICE, Hausdorff distance, and mean absolute distance (MAD) between OS and WS have shown 0, 0.10, and 0.11, respectively. In partial MAD of WS which calculates MAD within a certain PTV expansion voxel distance, the lower MADs were observed at the closer distances from 1 to 8 than those of OS. The DE results showed that the segmentation from WS produced more accurate results than OS. The mean DE error of V75, V70, V65, and V60 were decreased by 1.16%, 1.17%, 1.14%, and 1.12%, respectively. Conclusion: We have demonstrated that the method can increase the segmentation accuracy in rectum regions adjacent to PTV. As a result, segmentation using WS have shown improved dosimetric accuracy than OS. The WS will provide dosimetrically important label selection strategy in multi-atlas segmentation. CPRIT grant RP150485.« less

Evaluating BTEX concentration in soil using a simple one-dimensional vado zone model: application to a new fuel station in Valencia (Spain)

NASA Astrophysics Data System (ADS)

Rodrigo-Ilarri, Javier; Rodrigo-Clavero, María-Elena

2017-04-01

Specific studies of the impact of fuel spills on the vadose zone are currently required when trying to obtain the environmental permits for new fuel stations. The development of One-Dimensional mathematical models of fate and transport of BTEX on the vadose zone can therefore be used to understand the behavior of the pollutants under different scenarios. VLEACH - a simple One-Dimensional Finite Different Vadose Zone Leaching Model - uses an numerical approximation of the Millington Equation, a theoretical based model for gaseous diffusion in porous media. This equation has been widely used in the fields of soil physics and hydrology to calculate the gaseous or vapor diffusion in porous media. The model describes the movement of organic contaminants within and between three different phases: (1) as a solute dissolved in water, (2) as a gas in the vapor phase, and (3) as an absorbed compound in the soil phase. Initially, the equilibrium distribution of contaminant mass between liquid, gas and sorbed phases is calculated. Transport processes are then simulated. Liquid advective transport is calculated based on values defined by the user for infiltration and soil water content. The contaminant in the vapor phase migrates into or out of adjacent cells based on the calculated concentration gradients that exist between adjacent cells. After the mass is exchanged between the cells, the total mass in each cell is recalculated and re-equilibrated between the different phases. At the end of the simulation, (1) an overall area-weighted groundwater impact for the entire modeled area and (2) the concentration profile of BTEX on the vadose zone are calculated. This work shows the results obtained when applying VLEACH to analyze the contamination scenario caused by a BTEX spill coming from a set of future underground storage tanks located on a new fuel station in Aldaia (Valencia region - Spain).

Going full circle: phase-transition thermodynamics of ionic liquids.

PubMed

Preiss, Ulrich; Verevkin, Sergey P; Koslowski, Thorsten; Krossing, Ingo

2011-05-27

We present the full enthalpic phase transition cycle for ionic liquids (ILs) as examples of non-classical salts. The cycle was closed for the lattice, solvation, dissociation, and vaporization enthalpies of 30 different ILs, relying on as much experimental data as was available. High-quality dissociation enthalpies were calculated at the G3 MP2 level. From the cycle, we could establish, for the first time, the lattice and solvation enthalpies of ILs with imidazolium ions. For vaporization, lattice, and dissociation enthalpies, we also developed new prediction methods in the course of our investigations. Here, as only single-ion values need to be calculated and the tedious optimization of an ion pair can be circumvented, the computational time is short. For the vaporization enthalpy, a very simple approach was found, using a surface term and the calculated enthalpic correction to the total gas-phase energy. For the lattice enthalpy, the most important constituent proved to be the calculated conductor-like screening model (COSMO) solvation enthalpy in the ideal electric conductor. A similar model was developed for the dissociation enthalpy. According to our assessment, the typical error of the lattice enthalpy would be 9.4 kJ mol(-1), which is less than half the deviation we get when using the (optimized) Kapustinskii equation or the recent volume-based thermodynamics (VBT) theory. In contrast, the non-optimized VBT formula gives lattice enthalpies 20 to 140 kJ mol(-1) lower than the ones we assessed in the cycle, because of the insufficient description of dispersive interactions. Our findings show that quantum-chemical calculations can greatly improve the VBT approaches, which were parameterized for simple, inorganic salts with ideally point-shaped charges. In conclusion, we suggest the term "augmented VBT", or "aVBT", to describe this kind of theoretical approach. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A simple accurate chest-compression depth gauge using magnetic coils during cardiopulmonary resuscitation

NASA Astrophysics Data System (ADS)

Kandori, Akihiko; Sano, Yuko; Zhang, Yuhua; Tsuji, Toshio

2015-12-01

This paper describes a new method for calculating chest compression depth and a simple chest-compression gauge for validating the accuracy of the method. The chest-compression gauge has two plates incorporating two magnetic coils, a spring, and an accelerometer. The coils are located at both ends of the spring, and the accelerometer is set on the bottom plate. Waveforms obtained using the magnetic coils (hereafter, "magnetic waveforms"), which are proportional to compression-force waveforms and the acceleration waveforms were measured at the same time. The weight factor expressing the relationship between the second derivatives of the magnetic waveforms and the measured acceleration waveforms was calculated. An estimated-compression-displacement (depth) waveform was obtained by multiplying the weight factor and the magnetic waveforms. Displacements of two large springs (with similar spring constants) within a thorax and displacements of a cardiopulmonary resuscitation training manikin were measured using the gauge to validate the accuracy of the calculated waveform. A laser-displacement detection system was used to compare the real displacement waveform and the estimated waveform. Intraclass correlation coefficients (ICCs) between the real displacement using the laser system and the estimated displacement waveforms were calculated. The estimated displacement error of the compression depth was within 2 mm (<1 standard deviation). All ICCs (two springs and a manikin) were above 0.85 (0.99 in the case of one of the springs). The developed simple chest-compression gauge, based on a new calculation method, provides an accurate compression depth (estimation error < 2 mm).

QSAR analyses of conformationally restricted 1,5-diaryl pyrazoles as selective COX-2 inhibitors: application of connection table representation of ligands.

PubMed

Prasanna, S; Manivannan, E; Chaturvedi, S C

2005-04-15

As a part of our continuing efforts in discerning the structural and physicochemical requirements for selective COX-2 over COX-1 inhibition among the fused pyrazole ring systems, herein we report the QSAR analyses of the title compounds. The conformational flexibility of the title compounds was examined using a simple connection table representation. The conformational investigation was aided by calculating a connection table parameter called fraction of rotable bonds, b_rotR encompassing the number of rotable bonds and b_count, the number of bonds including implicit hydrogens of each ligand. The hydrophobic and steric correlation of the title compounds towards selective COX-2 inhibition was reported previously in one of our recent publications. In this communication, we attempt to calculate Wang-Ford charges of the non-hydrogen common atoms of AM1 optimized geometries of the title compounds. Owing to the partial conformational flexibility of title compounds, conformationally restricted and unrestricted descriptors were calculated from MOE. Correlation analysis of these 2D, 3D and Wang-Ford charges was accomplished by linear regression analysis. 2D molecular descriptor b_single, 3D molecular descriptors glob, std_dim3 showed significant contribution towards COX-2 inhibitory activity. Balaban J, a connectivity topological index showed a negative and positive contribution towards COX-1 and selective COX-2 over COX-1 inhibition, respectively. Wang-Ford charges calculated on C(7) showed a significant contribution towards COX-1 inhibitory activity whereas charges calculated on C(8) were crucial in governing the selectivity of COX-2 over COX-1 inhibition among these congeners.

Variability of pCO2 in surface waters and development of prediction model.

PubMed

Chung, Sewoong; Park, Hyungseok; Yoo, Jisu

2018-05-01

Inland waters are substantial sources of atmospheric carbon, but relevant data are rare in Asian monsoon regions including Korea. Emissions of CO 2 to the atmosphere depend largely on the partial pressure of CO 2 (pCO 2 ) in water; however, measured pCO 2 data are scarce and calculated pCO 2 can show large uncertainty. This study had three objectives: 1) to examine the spatial variability of pCO 2 in diverse surface water systems in Korea; 2) to compare pCO 2 calculated using pH-total alkalinity (Alk) and pH-dissolved inorganic carbon (DIC) with pCO 2 measured by an in situ submersible nondispersive infrared detector; and 3) to characterize the major environmental variables determining the variation of pCO 2 based on physical, chemical, and biological data collected concomitantly. Of 30 samples, 80% were found supersaturated in CO 2 with respect to the overlying atmosphere. Calculated pCO 2 using pH-Alk and pH-DIC showed weak prediction capability and large variations with respect to measured pCO 2 . Error analysis indicated that calculated pCO 2 is highly sensitive to the accuracy of pH measurements, particularly at low pH. Stepwise multiple linear regression (MLR) and random forest (RF) techniques were implemented to develop the most parsimonious model based on 10 potential predictor variables (pH, Alk, DIC, Uw, Cond, Turb, COD, DOC, TOC, Chla) by optimizing model performance. The RF model showed better performance than the MLR model, and the most parsimonious RF model (pH, Turb, Uw, Chla) improved pCO 2 prediction capability considerably compared with the simple calculation approach, reducing the RMSE from 527-544 to 105μatm at the study sites. Copyright © 2017 Elsevier B.V. All rights reserved.

A unitary convolution approximation for the impact-parameter dependent electronic energy loss

NASA Astrophysics Data System (ADS)

Schiwietz, G.; Grande, P. L.

1999-06-01

In this work, we propose a simple method to calculate the impact-parameter dependence of the electronic energy loss of bare ions for all impact parameters. This perturbative convolution approximation (PCA) is based on first-order perturbation theory, and thus, it is only valid for fast particles with low projectile charges. Using Bloch's stopping-power result and a simple scaling, we get rid of the restriction to low charge states and derive the unitary convolution approximation (UCA). Results of the UCA are then compared with full quantum-mechanical coupled-channel calculations for the impact-parameter dependent electronic energy loss.

A Simple Interactive Software Package for Plotting, Animating, and Calculating

ERIC Educational Resources Information Center

Engelhardt, Larry

2012-01-01

We introduce a new open source (free) software package that provides a simple, highly interactive interface for carrying out certain mathematical tasks that are commonly encountered in physics. These tasks include plotting and animating functions, solving systems of coupled algebraic equations, and basic calculus (differentiating and integrating…

Derivation and use of simple relationships between aerodynamic and optical particle measurements

USDA-ARS?s Scientific Manuscript database

A simple relationship, referred to as a mass conversion factor (MCF), is presented to convert optically based particle measurements to mass concentration. It is calculated from filter-based samples and optical particle counter (OPC) data on a daily or sample period basis. The MCF allows for greater ...

A Study on Group Key Agreement in Sensor Network Environments Using Two-Dimensional Arrays

PubMed Central

Jang, Seung-Jae; Lee, Young-Gu; Lee, Kwang-Hyung; Kim, Tai-Hoon; Jun, Moon-Seog

2011-01-01

These days, with the emergence of the concept of ubiquitous computing, sensor networks that collect, analyze and process all the information through the sensors have become of huge interest. However, sensor network technology fundamentally has wireless communication infrastructure as its foundation and thus has security weakness and limitations such as low computing capacity, power supply limitations and price. In this paper, and considering the characteristics of the sensor network environment, we propose a group key agreement method using a keyset pre-distribution of two-dimension arrays that should minimize the exposure of key and personal information. The key collision problems are resolved by utilizing a polygonal shape’s center of gravity. The method shows that calculating a polygonal shape’s center of gravity only requires a very small amount of calculations from the users. The simple calculation not only increases the group key generation efficiency, but also enhances the sense of security by protecting information between nodes. PMID:22164072

Kaon condensation in dense matter

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

Carlson, J.; Heiselberg, H.; Pandharipande, V. R.

The kaon energy in neutron matter is calculated analytically with the Klein-Gordon equation, by making a Wigner-Seitz cell approximation and employing a K{sup -}N square well potential. The transition from the low density Lenz potential, proportional to scattering length, to the high density Hartree potential is found to begin at fairly low densities. Exact nonrelativistic calculations of the kaon energy in a simple cubic crystal of neutrons are used to test the Wigner-Seitz and the Ericson-Ericson approximation methods. In this case the frequently used Erickson-Erickson approximation is found to be fairly accurate up to twice nuclear matter density. All themore » calculations indicate that by {approx}4 times nuclear matter density the Hartree limit is reached. We also show that in the Hartree limit the energy of zero momentum kaons does not have relativistic energy dependent factors present in the low density expansions. The results indicate that the density for kaon condensation is higher than previously estimated.« less

Orthogonal polynomial projectors for the Projector Augmented Wave (PAW) formalism.

NASA Astrophysics Data System (ADS)

Holzwarth, N. A. W.; Matthews, G. E.; Tackett, A. R.; Dunning, R. B.

1998-03-01

The PAW method for density functional electronic structure calculations developed by Blöchl(Phys. Rev. B 50), 17953 (1994) and also used by our group(Phys. Rev. B 55), 2005 (1997) has numerical advantages of a pseudopotential technique while retaining the physics of an all-electron formalism. We describe a new method for generating the necessary set of atom-centered projector and basis functions, based on choosing the projector functions from a set of orthogonal polynomials multiplied by a localizing weight factor. Numerical benefits of the new scheme result from having direct control of the shape of the projector functions and from the use of a simple repulsive local potential term to eliminate ``ghost state" problems, which can haunt calculations of this kind. We demonstrate the method by calculating the cohesive energies of CaF2 and Mo and the density of states of CaMoO4 which shows detailed agreement with LAPW results over a 66 eV range of energy including upper core, valence, and conduction band states.

Model for intensity calculation in electron guns

NASA Astrophysics Data System (ADS)

Doyen, O.; De Conto, J. M.; Garnier, J. P.; Lefort, M.; Richard, N.

2007-04-01

The calculation of the current in an electron gun structure is one of the main investigations involved in the electron gun physics understanding. In particular, various simulation codes exist but often present some important discrepancies with experiments. Moreover, those differences cannot be reduced because of the lack of physical information in these codes. We present a simple physical three-dimensional model, valid for all kinds of gun geometries. This model presents a better precision than all the other simulation codes and models encountered and allows the real understanding of the electron gun physics. It is based only on the calculation of the Laplace electric field at the cathode, the use of the classical Child-Langmuir's current density, and a geometrical correction to this law. Finally, the intensity versus voltage characteristic curve can be precisely described with only a few physical parameters. Indeed, we have showed that only the shape of the electric field at the cathode without beam, and a distance of an equivalent infinite planar diode gap, govern mainly the electron gun current generation.

A new scale of electronegativity based on electrophilicity index.

PubMed

Noorizadeh, Siamak; Shakerzadeh, Ehsan

2008-04-17

By calculating the energies of neutral and different ionic forms (M2+, M+, M, M-, and M2-) of 32 elements (using B3LYP/6-311++G** level of theory) and taking energy (E) to be a Morse-like function of the number of electrons (N), the electrophilicity values (omega) are calculated for these atoms. The obtained electrophilicities show a good linearity with some commonly used electronegativity scales such as Pauling and Allred-Rochow. Using these electrophilicities, the ionicities of some diatomic molecules are calculated, which are in good agreement with the experimental data. Therefore, these electrophilicities are introduced as a new scale for atomic electronegativity, chi(omega)0. The same procedure is also performed for some simple polyatomic molecules. It is shown that the new scale successfully obeys Sanderson's electronegativity equalization principle and for those molecules which have the same number of atoms, the ratio of the change in electronegativity during the formation of a molecule from its elements to the molecular electronegativity (Delta chi/chi omega) is the same.

Calculating p-values and their significances with the Energy Test for large datasets

NASA Astrophysics Data System (ADS)

Barter, W.; Burr, C.; Parkes, C.

2018-04-01

The energy test method is a multi-dimensional test of whether two samples are consistent with arising from the same underlying population, through the calculation of a single test statistic (called the T-value). The method has recently been used in particle physics to search for samples that differ due to CP violation. The generalised extreme value function has previously been used to describe the distribution of T-values under the null hypothesis that the two samples are drawn from the same underlying population. We show that, in a simple test case, the distribution is not sufficiently well described by the generalised extreme value function. We present a new method, where the distribution of T-values under the null hypothesis when comparing two large samples can be found by scaling the distribution found when comparing small samples drawn from the same population. This method can then be used to quickly calculate the p-values associated with the results of the test.

Response surface methodology to simplify calculation of wood energy potency from tropical short rotation coppice species

NASA Astrophysics Data System (ADS)

Haqiqi, M. T.; Yuliansyah; Suwinarti, W.; Amirta, R.

2018-04-01

Short Rotation Coppice (SRC) system is an option to provide renewable and sustainable feedstock in generating electricity for rural area. Here in this study, we focussed on application of Response Surface Methodology (RSM) to simplify calculation protocols to point out wood chip production and energy potency from some tropical SRC species identified as Bauhinia purpurea, Bridelia tomentosa, Calliandra calothyrsus, Fagraea racemosa, Gliricidia sepium, Melastoma malabathricum, Piper aduncum, Vernonia amygdalina, Vernonia arborea and Vitex pinnata. The result showed that the highest calorific value was obtained from V. pinnata wood (19.97 MJ kg-1) due to its high lignin content (29.84 %, w/w). Our findings also indicated that the use of RSM for estimating energy-electricity of SRC wood had significant term regarding to the quadratic model (R2 = 0.953), whereas the solid-chip ratio prediction was accurate (R2 = 1.000). In the near future, the simple formula will be promising to calculate energy production easily from woody biomass, especially from SRC species.

Detailed modeling analysis for soot formation and radiation in microgravity gas jet diffusion flames

NASA Technical Reports Server (NTRS)

Ku, Jerry C.; Tong, LI; Greenberg, Paul S.

1995-01-01

Radiation heat transfer in combustion systems has been receiving increasing interest. In the case of hydrocarbon fuels, a significant portion of the radiation comes from soot particles, justifying the need for detailed soot formation model and radiation transfer calculations. For laminar gas jet diffusion flames, results from this project (4/1/91 8/22/95) and another NASA study show that flame shape, soot concentration, and radiation heat fluxes are substantially different under microgravity conditions. Our emphasis is on including detailed soot transport models and a detailed solution for radiation heat transfer, and on coupling them with the flame structure calculations. In this paper, we will discuss the following three specific areas: (1) Comparing two existing soot formation models, and identifying possible improvements; (2) A simple yet reasonably accurate approach to calculating total radiative properties and/or fluxes over the spectral range; and (3) Investigating the convergence of iterations between the flame structure solver and the radiation heat transfer solver.

Classical and quantum aspects of Yang-Baxter Wess-Zumino models

NASA Astrophysics Data System (ADS)

Demulder, Saskia; Driezen, Sibylle; Sevrin, Alexander; Thompson, Daniel C.

2018-03-01

We investigate the integrable Yang-Baxter deformation of the 2d Principal Chiral Model with a Wess-Zumino term. For arbitrary groups, the one-loop β-functions are calculated and display a surprising connection between classical and quantum physics: the classical integrability condition is necessary to prevent new couplings being generated by renormalisation. We show these theories admit an elegant realisation of Poisson-Lie T-duality acting as a simple inversion of coupling constants. The self-dual point corresponds to the Wess-Zumino-Witten model and is the IR fixed point under RG. We address the possibility of having supersymmetric extensions of these models showing that extended supersymmetry is not possible in general.

Refraction of coastal ocean waves

NASA Technical Reports Server (NTRS)

Shuchman, R. A.; Kasischke, E. S.

1981-01-01

Refraction of gravity waves in the coastal area off Cape Hatteras, NC as documented by synthetic aperture radar (SAR) imagery from Seasat orbit 974 (collected on September 3, 1978) is discussed. An analysis of optical Fourier transforms (OFTs) from more than 70 geographical positions yields estimates of wavelength and wave direction for each position. In addition, independent estimates of the same two quantities are calculated using two simple theoretical wave-refraction models. The OFT results are then compared with the theoretical results. A statistical analysis shows a significant degree of linear correlation between the data sets. This is considered to indicate that the Seasat SAR produces imagery whose clarity is sufficient to show the refraction of gravity waves in shallow water.

Reasoning about Codata

NASA Astrophysics Data System (ADS)

Hinze, Ralf

Programmers happily use induction to prove properties of recursive programs. To show properties of corecursive programs they employ coinduction, but perhaps less enthusiastically. Coinduction is often considered a rather low-level proof method, in particular, as it departs quite radically from equational reasoning. Corecursive programs are conveniently defined using recursion equations. Suitably restricted, these equations possess unique solutions. Uniqueness gives rise to a simple and attractive proof technique, which essentially brings equational reasoning to the coworld. We illustrate the approach using two major examples: streams and infinite binary trees. Both coinductive types exhibit a rich structure: they are applicative functors or idioms, and they can be seen as memo-tables or tabulations. We show that definitions and calculations benefit immensely from this additional structure.

The Nitrogen Balancing Act: Tracking the Environmental Performance of Food Production

PubMed Central

McLellan, Eileen L; Cassman, Kenneth G; Eagle, Alison J; Woodbury, Peter B; Sela, Shai; Tonitto, Christina; Marjerison, Rebecca D; van Es, Harold M

2018-01-01

Abstract Farmers, food supply-chain entities, and policymakers need a simple but robust indicator to demonstrate progress toward reducing nitrogen pollution associated with food production. We show that nitrogen balance—the difference between nitrogen inputs and nitrogen outputs in an agricultural production system—is a robust measure of nitrogen losses that is simple to calculate, easily understood, and based on readily available farm data. Nitrogen balance provides farmers with a means of demonstrating to an increasingly concerned public that they are succeeding in reducing nitrogen losses while also improving the overall sustainability of their farming operation. Likewise, supply-chain companies and policymakers can use nitrogen balance to track progress toward sustainability goals. We describe the value of nitrogen balance in translating environmental targets into actionable goals for farmers and illustrate the potential roles of science, policy, and agricultural support networks in helping farmers achieve them. PMID:29662247

A simple differential pulse polarographic method for the determination of thymoquinone in black seed oil.

PubMed

Michelitsch, Astrid; Rittmannsberger, Anna

2003-01-01

A reliable and simple differential pulse polarographic method is described for the determination of thymoquinone in black seed oil. The polarographic behaviour of thymoquinone was examined in various buffer systems over the pH range 5.0-10.0. Thymoquinone is reduced in a single, reversible peak at the dropping mercury electrode. The differential pulse polarogram showed a distinct peak in Sörensen buffer:methanol (3:7, v/v; pH 8.5) at a peak potential of -0.095 V (vs. silver/silver chloride electrode), and a plot of peak height against concentration was found to be linear over the range 0.2-15.0 microg/mL (R = 0.9998). The limit of detection was calculated to be 0.054 microg/mL. The polarographic method has been applied to determine thymoquinone in two black seed oil preparations available on the Austrian pharmaceutical market.

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects

NASA Astrophysics Data System (ADS)

Smith, Brendan; Akimov, Alexey V.

2018-04-01

A simple and robust methodology, dubbed Entangled Trajectories Hamiltonian Dynamics (ETHD), is developed to capture quantum nuclear effects such as tunneling and zero-point energy through the coupling of multiple classical trajectories. The approach reformulates the classically mapped second-order Quantized Hamiltonian Dynamics (QHD-2) in terms of coupled classical trajectories. The method partially enforces the uncertainty principle and facilitates tunneling. The applicability of the method is demonstrated by studying the dynamics in symmetric double well and cubic metastable state potentials. The methodology is validated using exact quantum simulations and is compared to QHD-2. We illustrate its relationship to the rigorous Bohmian quantum potential approach, from which ETHD can be derived. Our simulations show a remarkable agreement of the ETHD calculation with the quantum results, suggesting that ETHD may be a simple and inexpensive way of including quantum nuclear effects in molecular dynamics simulations.

Applying a simple three-dimensional eddy correlation system for latent and sensible heat flux to contrasting forest canopies

NASA Astrophysics Data System (ADS)

Bernhofer, Ch.

1992-06-01

A simple eddy correlation system is presented that allows on-line calculation of latent and sensible heat fluxes. The system is composed of a three dimensional propeller anemometer, a thermocouple and a capacitance relative humidity sensor. Results from two contrasting sites demonstrate the capability of the system to measure turbulent fluxes under varying conditions. A dry mixed (dominantly coniferous) forest in hilly terrain in Austria is compared to a well irrigated, heavily transpiring, deciduous pecan orchard in the Southwest of the US. The US site shows insufficient closure of the energy balance that is attributed to non-turbulent fluxes under advective conditions in a stable boundary layer (Blanford et al., 1991) while the Austrian site exhibits almost perfect closure with the use of the very same instruments when the boundary layer is convective and advection is negligible.

Changing skewness: an early warning signal of regime shifts in ecosystems.

PubMed

Guttal, Vishwesha; Jayaprakash, Ciriyam

2008-05-01

Empirical evidence for large-scale abrupt changes in ecosystems such as lakes and vegetation of semi-arid regions is growing. Such changes, called regime shifts, can lead to degradation of ecological services. We study simple ecological models that show a catastrophic transition as a control parameter is varied and propose a novel early warning signal that exploits two ubiquitous features of ecological systems: nonlinearity and large external fluctuations. Either reduced resilience or increased external fluctuations can tip ecosystems to an alternative stable state. It is shown that changes in asymmetry in the distribution of time series data, quantified by changing skewness, is a model-independent and reliable early warning signal for both routes to regime shifts. Furthermore, using model simulations that mimic field measurements and a simple analysis of real data from abrupt climate change in the Sahara, we study the feasibility of skewness calculations using data available from routine monitoring.

A simple analytical formula to compute clear sky total and photosynthetically available solar irradiance at the ocean surface

NASA Technical Reports Server (NTRS)

Frouin, Robert; Lingner, David W.; Gautier, Catherine; Baker, Karen S.; Smith, Ray C.

1989-01-01

A simple but accurate analytical formula was developed for computing the total and the photosynthetically available solar irradiances at the ocean surface under clear skies, which takes into account the processes of scattering by molecules and aerosols within the atmosphere and of absorption by the water vapor, ozone, and aerosols. These processes are parameterized as a function of solar zenith angle, aerosol type, atmospheric visibility, and vertically integrated water-vapor and ozone amounts. Comparisons of the calculated and measured total and photosynthetically available solar irradiances for several experiments in tropical and mid-latitude ocean regions show 39 and 14 Wm/sq m rms errors (6.5 and 4.7 percent of the average measured values) on an hourly time scale, respectively. The proposed forumula is unique in its ability to predict surface solar irradiance in the photosynthetically active spectral interval.

Sample size determination for logistic regression on a logit-normal distribution.

PubMed

Kim, Seongho; Heath, Elisabeth; Heilbrun, Lance

2017-06-01

Although the sample size for simple logistic regression can be readily determined using currently available methods, the sample size calculation for multiple logistic regression requires some additional information, such as the coefficient of determination ([Formula: see text]) of a covariate of interest with other covariates, which is often unavailable in practice. The response variable of logistic regression follows a logit-normal distribution which can be generated from a logistic transformation of a normal distribution. Using this property of logistic regression, we propose new methods of determining the sample size for simple and multiple logistic regressions using a normal transformation of outcome measures. Simulation studies and a motivating example show several advantages of the proposed methods over the existing methods: (i) no need for [Formula: see text] for multiple logistic regression, (ii) available interim or group-sequential designs, and (iii) much smaller required sample size.

Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple model of a nanocrystal with spherical shape and centro-symmetric strain at the surface shell we obtain theoretical alp-Q values which match very well the alp-Q plots determined experimentally for Sic, GaN, and diamond nanopowders. The theoretical models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the surface shell. According to our calculations, the part of the diffraction pattern measured at relatively low diffraction vectors Q (below 10/angstrom) provides information on the surface strain, whle determination of the lattice parameters in the grain core requires measurements at large Q-values (above 15 - 20/angstrom).

Analytical model for ion stopping power and range in the therapeutic energy interval for beams of hydrogen and heavier ions

NASA Astrophysics Data System (ADS)

Donahue, William; Newhauser, Wayne D.; Ziegler, James F.

2016-09-01

Many different approaches exist to calculate stopping power and range of protons and heavy charged particles. These methods may be broadly categorized as physically complete theories (widely applicable and complex) or semi-empirical approaches (narrowly applicable and simple). However, little attention has been paid in the literature to approaches that are both widely applicable and simple. We developed simple analytical models of stopping power and range for ions of hydrogen, carbon, iron, and uranium that spanned intervals of ion energy from 351 keV u-1 to 450 MeV u-1 or wider. The analytical models typically reproduced the best-available evaluated stopping powers within 1% and ranges within 0.1 mm. The computational speed of the analytical stopping power model was 28% faster than a full-theoretical approach. The calculation of range using the analytic range model was 945 times faster than a widely-used numerical integration technique. The results of this study revealed that the new, simple analytical models are accurate, fast, and broadly applicable. The new models require just 6 parameters to calculate stopping power and range for a given ion and absorber. The proposed model may be useful as an alternative to traditional approaches, especially in applications that demand fast computation speed, small memory footprint, and simplicity.

Analytical model for ion stopping power and range in the therapeutic energy interval for beams of hydrogen and heavier ions.

PubMed

Donahue, William; Newhauser, Wayne D; Ziegler, James F

2016-09-07

Many different approaches exist to calculate stopping power and range of protons and heavy charged particles. These methods may be broadly categorized as physically complete theories (widely applicable and complex) or semi-empirical approaches (narrowly applicable and simple). However, little attention has been paid in the literature to approaches that are both widely applicable and simple. We developed simple analytical models of stopping power and range for ions of hydrogen, carbon, iron, and uranium that spanned intervals of ion energy from 351 keV u(-1) to 450 MeV u(-1) or wider. The analytical models typically reproduced the best-available evaluated stopping powers within 1% and ranges within 0.1 mm. The computational speed of the analytical stopping power model was 28% faster than a full-theoretical approach. The calculation of range using the analytic range model was 945 times faster than a widely-used numerical integration technique. The results of this study revealed that the new, simple analytical models are accurate, fast, and broadly applicable. The new models require just 6 parameters to calculate stopping power and range for a given ion and absorber. The proposed model may be useful as an alternative to traditional approaches, especially in applications that demand fast computation speed, small memory footprint, and simplicity.

Microscopically derived potential energy surfaces from mostly structural considerations

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

Ermamatov, M.J.; Institute of Nuclear Physics, Ulughbek, Tashkent 100214; Hess, Peter O., E-mail: hess@nucleares.unam.mx

2016-08-15

A simple procedure to estimate the quadrupole Potential-Energy-Surface (PES) is presented, using mainly structural information, namely the content of the shell model space and the Pauli exclusion principle. Further microscopic properties are implicitly contained through the use of results from the Möller and Nix tables or experimental information. A mapping to the geometric potential is performed yielding the PES. The General Collective Model is used in order to obtain an estimate on the spectrum and quadrupole transitions, adjusting only the mass parameter. First, we test the conjecture on known nuclei, deriving the PES and compare them to known data. Wemore » will see that the PES approximates very well the structure expected. Having acquired a certain confidence, we predict the PES of several chain of isotopes of heavy and super-heavy nuclei and at the end we investigate the structure of nuclei in the supposed island of stability. One of the main points to show is that simple assumptions can provide already important information on the structure of nuclei outside known regions and that spectra and electromagnetic transitions can be estimated without using involved calculations and assumptions. The procedure does not allow to calculate binding energies. The method presented can be viewed as a starting point for further improvements.« less

Uranium vacancy mobility at the Σ5 symmetric tilt and Σ5 twist grain boundaries in UO₂

DOE PAGES

Uberuaga, Blas Pedro; Andersson, David A.

2015-10-01

Ionic transport at grain boundaries in oxides dictates a number of important phenomena, from ionic conductivity to sintering to creep. For nuclear fuels, it also influences fission gas bubble nucleation and growth. Here, using a combination of atomistic calculations and object kinetic Monte Carlo (okMC) simulations, we examine the kinetic pathways associated with uranium vacancies at two model grain boundaries in UO 2. The barriers for vacancy motion were calculated using the nudged elastic band method at all uranium sites at each grain boundary and were used as the basis of the okMC simulations. For both boundaries considered – amore » simple tilt and a simple twist boundary – the mobility of uranium vacancies is significantly higher than in the bulk. For the tilt boundary, there is clearly preferred migration along the tilt axis as opposed to in the perpendicular direction while, for the twist boundary, migration is essentially isotropic within the boundary plane. These results show that cation defect mobility in fluorite-structured materials is enhanced at certain types of grain boundaries and is dependent on the boundary structure with the tilt boundary exhibiting higher rates of migration than the twist boundary.« less

Quantifying errors without random sampling.

PubMed

Phillips, Carl V; LaPole, Luwanna M

2003-06-12

All quantifications of mortality, morbidity, and other health measures involve numerous sources of error. The routine quantification of random sampling error makes it easy to forget that other sources of error can and should be quantified. When a quantification does not involve sampling, error is almost never quantified and results are often reported in ways that dramatically overstate their precision. We argue that the precision implicit in typical reporting is problematic and sketch methods for quantifying the various sources of error, building up from simple examples that can be solved analytically to more complex cases. There are straightforward ways to partially quantify the uncertainty surrounding a parameter that is not characterized by random sampling, such as limiting reported significant figures. We present simple methods for doing such quantifications, and for incorporating them into calculations. More complicated methods become necessary when multiple sources of uncertainty must be combined. We demonstrate that Monte Carlo simulation, using available software, can estimate the uncertainty resulting from complicated calculations with many sources of uncertainty. We apply the method to the current estimate of the annual incidence of foodborne illness in the United States. Quantifying uncertainty from systematic errors is practical. Reporting this uncertainty would more honestly represent study results, help show the probability that estimated values fall within some critical range, and facilitate better targeting of further research.

Safe and simple detection of sparse hydrogen by Pd-Au alloy/air based 1D photonic crystal sensor

NASA Astrophysics Data System (ADS)

Mitra, S.; Biswas, T.; Chattopadhyay, R.; Ghosh, J.; Bysakh, S.; Bhadra, S. K.

2016-11-01

A simple integrated hydrogen sensor using Pd-Au alloy/air based one dimensional photonic crystal with an air defect layer is theoretically modeled. Structural parameters of the photonic crystal are delicately scaled to generate photonic band gap frequencies in a visible spectral regime. An optimized defect thickness permits a localized defect mode operating at a frequency within the photonic band gap region. Hydrogen absorption causes modification in the band gap characteristics due to variation of refractive index and lattice parameters of the alloy. As a result, the transmission peak appeared due to the resonant defect state gets shifted. This peak shifting is utilized to detect sparse amount of hydrogen present in the surrounding environment. A theoretical framework is built to calculate the refractive index profile of hydrogen loaded alloy using density functional theory and Bruggeman's effective medium approximation. The calculated refractive index variation of Pd3Au alloy film due to hydrogen loading is verified experimentally by measuring the reflectance characteristics. Lattice expansion properties of the alloy are studied through X-ray diffraction analyses. The proposed structure shows about 3 nm red shift of the transmission peak for a rise of 1% atomic hydrogen concentration in the alloy.

Evaluation of DNA damage induced by Auger electrons from 137Cs.

PubMed

Watanabe, Ritsuko; Hattori, Yuya; Kai, Takeshi

2016-11-01

To understand the biological effect of external and internal exposure from 137 Cs, DNA damage spectrum induced by directly emitted electrons (γ-rays, internal conversion electrons, Auger electrons) from 137 Cs was compared with that induced by 137 Cs γ-rays. Monte Carlo track simulation method was used to calculate the microscopic energy deposition pattern in liquid water. Simulation was performed for the two simple target systems in microscale. Radiation sources were placed inside for one system and outside for another system. To simulate the energy deposition by directly emitted electrons from 137 Cs placed inside the system, the multiple ejections of electrons after internal conversion were considered. In the target systems, induction process of DNA damage was modeled and simulated for both direct energy deposition and the water radical reaction on the DNA. The yield and spatial distribution of simple and complex DNA damage including strand breaks and base lesions were calculated for irradiation by electrons and γ-rays from 137 Cs. The simulation showed that the significant difference in DNA damage spectrum was not caused by directly ejected electrons and γ-rays from 137 Cs. The result supports the existing perception that the biological effects by internal and external exposure by 137 Cs are equivalent.

Calculation and Specification of the Multiple Chirality Displayed by Sugar Pyranoid Ring Structures.

ERIC Educational Resources Information Center

Shallenberger, Robert S.; And Others

1981-01-01

Describes a method, using simple algebraic notation, for calculating the nature of the salient features of a sugar pyranoid ring, the steric disposition of substituents about the reference, and the anomeric carbon atoms contained within the ring. (CS)

SU-F-R-33: Can CT and CBCT Be Used Simultaneously for Radiomics Analysis

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

Luo, R; Wang, J; Zhong, H

2016-06-15

Purpose: To investigate whether CBCT and CT can be used in radiomics analysis simultaneously. To establish a batch correction method for radiomics in two similar image modalities. Methods: Four sites including rectum, bladder, femoral head and lung were considered as region of interest (ROI) in this study. For each site, 10 treatment planning CT images were collected. And 10 CBCT images which came from same site of same patient were acquired at first radiotherapy fraction. 253 radiomics features, which were selected by our test-retest study at rectum cancer CT (ICC>0.8), were calculated for both CBCT and CT images in MATLAB.more » Simple scaling (z-score) and nonlinear correction methods were applied to the CBCT radiomics features. The Pearson Correlation Coefficient was calculated to analyze the correlation between radiomics features of CT and CBCT images before and after correction. Cluster analysis of mixed data (for each site, 5 CT and 5 CBCT data are randomly selected) was implemented to validate the feasibility to merge radiomics data from CBCT and CT. The consistency of clustering result and site grouping was verified by a chi-square test for different datasets respectively. Results: For simple scaling, 234 of the 253 features have correlation coefficient ρ>0.8 among which 154 features haveρ>0.9 . For radiomics data after nonlinear correction, 240 of the 253 features have ρ>0.8 among which 220 features have ρ>0.9. Cluster analysis of mixed data shows that data of four sites was almost precisely separated for simple scaling(p=1.29 * 10{sup −7}, χ{sup 2} test) and nonlinear correction (p=5.98 * 10{sup −7}, χ{sup 2} test), which is similar to the cluster result of CT data (p=4.52 * 10{sup −8}, χ{sup 2} test). Conclusion: Radiomics data from CBCT can be merged with those from CT by simple scaling or nonlinear correction for radiomics analysis.« less

β-Lactam antibiotics. Spectroscopy and molecular orbital (MO) calculations . Part I: IR studies of complexation in penicillin-transition metal ion systems and semi-empirical PM3 calculations on simple model compounds

NASA Astrophysics Data System (ADS)

Kupka, Teobald

1997-12-01

IR studies were preformed to determine possible transition metal ion binding sites of penicillin. the observed changes in spectral position and shape of characteristic IR bands of cloxacillin in the presence of transition metal ions (both in solutions and in the solid state) indicate formation of M-L complexes with engagement of -COO - and/or -CONH- functional groups. The small shift of νCO towards higher frequencies rules out direct M-L interaction via β-lactam carbonyl. PM3 calculations on simple model compounds (substituted formamide, cyclic ketones, lactams and substituted monocyclic β-lactams) have been performed. All structures were fully optimized and the calculated bond lengths, angles, heats of formation and CO stretching frequencies were discussed to determine the β-lactam binding sites and to explain its susceptibility towards nucleophilic attack (hydrolysis in vitro) and biological activity. The relative changes of calculated values were critically compared with available experimental data and same correlation between structural parameters and in vivo activity was shown.

Specific cooling capacity of liquid nitrogen

NASA Technical Reports Server (NTRS)

Kilgore, R. A.; Adcock, J. B.

1977-01-01

The assumed cooling process and the method used to calculate the specific cooling capacity of liquid nitrogen are described, and the simple equation fitted to the calculated specific cooling capacity data, together with the graphical form calculated values of the specific cooling capacity of nitrogen for stagnation temperatures from saturation to 350 K and stagnation pressures from 1 to 10 atmospheres, are given.

Program helps quickly calculate deviated well path

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

Gardner, M.P.

1993-11-22

A BASIC computer program quickly calculates the angle and measured depth of a simple directional well given only the true vertical depth and total displacement of the target. Many petroleum engineers and geologists need a quick, easy method to calculate the angle and measured depth necessary to reach a target in a proposed deviated well bore. Too many of the existing programs are large and require much input data. The drilling literature is full of equations and methods to calculate the course of well paths from surveys taken after a well is drilled. Very little information, however, covers how tomore » calculate well bore trajectories for proposed wells from limited data. Furthermore, many of the equations are quite complex and difficult to use. A figure lists a computer program with the equations to calculate the well bore trajectory necessary to reach a given displacement and true vertical depth (TVD) for a simple build plant. It can be run on an IBM compatible computer with MS-DOS version 5 or higher, QBasic, or any BASIC that does no require line numbers. QBasic 4.5 compiler will also run the program. The equations are based on conventional geometry and trigonometry.« less

A simple approximation for the current-voltage characteristics of high-power, relativistic diodes

DOE PAGES

Ekdahl, Carl

2016-06-10

A simple approximation for the current-voltage characteristics of a relativistic electron diode is presented. The approximation is accurate from non-relativistic through relativistic electron energies. Although it is empirically developed, it has many of the fundamental properties of the exact diode solutions. Lastly, the approximation is simple enough to be remembered and worked on almost any pocket calculator, so it has proven to be quite useful on the laboratory floor.

Factors affecting the estimate of primary production from space

NASA Technical Reports Server (NTRS)

Balch, W. M.; Byrne, C. F.

1994-01-01

Remote sensing of primary production in the euphotic zone has been based mostly on visible-band and water-leaving radiance measured with the coastal zone color scanner. There are some robust, simple relationships for calculating integral production based on surface measurements, but they also require knowledge for photoadaptive parameters such as maximum photosynthesis which currently cannot be obtained from spave. A 17,000-station data set is used to show that space-based estimates of maximum photosynthesis could improve predictions of psi, the water column light utiliztion index, which is an important term in many primary productivity models. Temperature is also examined as a factor for predicting hydrographic structure and primary production. A simple model is used to relate temperature and maximum photosynthesis; the model incorporates (1) the positive relationship between maximum photosynthesis and temperature and (2) the strongly negative relationship between temperature and nitrate in the ocean (which directly affects maximum growth rates via nitrogen limitation). Since these two factors relate to carbon and nitrogen, 'balanced carbon/nitrogen assimilation' was calculated using the Redfield ratio, It is expected that the relationship between maximum balanced carbon assimilation versus temperature is concave-down, with the peak dependent on nitrate uptake kinetics, temperature-nitrate relationships,a nd the carbon chlorophyll ration. These predictions were compared with the sea truth data. The minimum turnover time for nitrate was also calculated using this approach. Lastly, sea surface temperature gradients were used to predict the slope of isotherms (a proxy for the slope of isopycnals in many waters). Sea truth data show that at size scales of several hundred kilometers, surface temperature gradients can provide information on the slope of isotherms in the top 200 m of the water column. This is directly relevant to the supply of nutrients into the surface mixed layer, which is useful for predicting integral biomass and primary production.

Simple solutions for relativistic generalizations of the Child-Langmuir law and the Langmuir-Blodgett law

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

Zhang Yongpeng; Northwest Institute of Nuclear Technology, P.O. Box 69-13, Xi'an 710024; Liu Guozhi

In this paper, the Child-Langmuir law and Langmuir-Blodgett law are generalized to the relativistic regime by a simple method. Two classical laws suitable for the nonrelativistic regime are modified to simple approximate expressions applicable for calculating the space-charge-limited currents of one-dimensional steady-state planar diodes and coaxial diodes under the relativistic regime. The simple approximate expressions, extending the Child-Langmuir law and Langmuir-Blodgett law to fit the full range of voltage, have small relative errors less than 1% for one-dimensional planar diodes and less than 5% for coaxial diodes.

A versatile program for the calculation of linear accelerator room shielding.

PubMed

Hassan, Zeinab El-Taher; Farag, Nehad M; Elshemey, Wael M

2018-03-22

This work aims at designing a computer program to calculate the necessary amount of shielding for a given or proposed linear accelerator room design in radiotherapy. The program (Shield Calculation in Radiotherapy, SCR) has been developed using Microsoft Visual Basic. It applies the treatment room shielding calculations of NCRP report no. 151 to calculate proper shielding thicknesses for a given linear accelerator treatment room design. The program is composed of six main user-friendly interfaces. The first enables the user to upload their choice of treatment room design and to measure the distances required for shielding calculations. The second interface enables the user to calculate the primary barrier thickness in case of three-dimensional conventional radiotherapy (3D-CRT), intensity modulated radiotherapy (IMRT) and total body irradiation (TBI). The third interface calculates the required secondary barrier thickness due to both scattered and leakage radiation. The fourth and fifth interfaces provide a means to calculate the photon dose equivalent for low and high energy radiation, respectively, in door and maze areas. The sixth interface enables the user to calculate the skyshine radiation for photons and neutrons. The SCR program has been successfully validated, precisely reproducing all of the calculated examples presented in NCRP report no. 151 in a simple and fast manner. Moreover, it easily performed the same calculations for a test design that was also calculated manually, and produced the same results. The program includes a new and important feature that is the ability to calculate required treatment room thickness in case of IMRT and TBI. It is characterised by simplicity, precision, data saving, printing and retrieval, in addition to providing a means for uploading and testing any proposed treatment room shielding design. The SCR program provides comprehensive, simple, fast and accurate room shielding calculations in radiotherapy.

Observation of topological edge states of acoustic metamaterials at subwavelength scale

NASA Astrophysics Data System (ADS)

Dai, Hongqing; Jiao, Junrui; Xia, Baizhan; Liu, Tingting; Zheng, Shengjie; Yu, Dejie

2018-05-01

Topological states are of key importance for acoustic wave systems owing to their unique transport properties. In this study, we develop a hexagonal array of hexagonal columns with Helmholtz resonators to obtain subwavelength Dirac cones. Rotation operations are performed to open the Dirac cones and obtain acoustic valley vortex states. In addition, we calculate the angular-dependent frequencies for the band edges at the K-point. Through a topological phase transition, the topological phase of pattern A can change into that of pattern B. The calculations for the bulk dispersion curves show that the acoustic metamaterials exhibit BA-type and AB-type topological edge states. Experimental results demonstrate that a sound wave can transmit well along the topological path. This study could reveal a simple approach to create acoustic topological edge states at the subwavelength scale.

Symmetry and electronic structure of noble-metal nanoparticles and the role of relativity.

PubMed

Häkkinen, Hannu; Moseler, Michael; Kostko, Oleg; Morgner, Nina; Hoffmann, Margarita Astruc; von Issendorff, Bernd

2004-08-27

We present high resolution UV-photoelectron spectra of cold mass selected Cun-, Agn-, and Aun- with n=53-58. The observed electron density of states is not the expected simple electron shell structure, but is strongly influenced by electron-lattice interactions. Only Cu55- and Ag55- exhibit highly degenerate states. This is a direct consequence of their icosahedral symmetry, as is confirmed by density functional theory calculations. Neighboring sizes exhibit perturbed electronic structures, as they are formed by removal or addition of atoms to the icosahedron and therefore have lower symmetries. Gold clusters in the same size range show completely different spectra with almost no degeneracy, which indicates that they have structures of much lower symmetry. This behavior is related to strong relativistic bonding effects in gold, as demonstrated by ab initio calculations for Au55-.

Sum-rule corrections: A route to error cancellations in correlation matrix renormalisation theory

DOE PAGES

Liu, C.; Liu, J.; Yao, Y. X.; ...

2017-01-16

Here, we recently proposed the correlation matrix renormalisation (CMR) theory to efficiently and accurately calculate ground state total energy of molecular systems, based on the Gutzwiller variational wavefunction (GWF) to treat the electronic correlation effects. To help reduce numerical complications and better adapt the CMR to infinite lattice systems, we need to further refine the way to minimise the error originated from the approximations in the theory. This conference proceeding reports our recent progress on this key issue, namely, we obtained a simple analytical functional form for the one-electron renormalisation factors, and introduced a novel sum-rule correction for a moremore » accurate description of the intersite electron correlations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.« less

Sum-rule corrections: A route to error cancellations in correlation matrix renormalisation theory

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

Liu, C.; Liu, J.; Yao, Y. X.

Here, we recently proposed the correlation matrix renormalisation (CMR) theory to efficiently and accurately calculate ground state total energy of molecular systems, based on the Gutzwiller variational wavefunction (GWF) to treat the electronic correlation effects. To help reduce numerical complications and better adapt the CMR to infinite lattice systems, we need to further refine the way to minimise the error originated from the approximations in the theory. This conference proceeding reports our recent progress on this key issue, namely, we obtained a simple analytical functional form for the one-electron renormalisation factors, and introduced a novel sum-rule correction for a moremore » accurate description of the intersite electron correlations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.« less

A rule of unity for human intestinal absorption 3: Application to pharmaceuticals.

PubMed

Patel, Raj B; Yalkowsky, Samuel H

2018-02-01

The rule of unity is based on a simple absorption parameter, Π, that can accurately predict whether or not an orally administered drug will be well absorbed or poorly absorbed. The intrinsic aqueous solubility and octanol-water partition coefficient, along with the drug dose are used to calculate Π. We show that a single delineator value for Π exist that can distinguish whether a drug is likely to be well absorbed (FA ≥ 0.5) or poorly absorbed (FA < 0.5) at any specified dose. The model is shown to give 82.5% correct predictions for over 938 pharmaceuticals. The maximum well-absorbed dose (i.e. the maximum dose that will be more than 50% absorbed) calculated using this model can be utilized as a guideline for drug design and synthesis. Copyright © 2017 John Wiley & Sons, Ltd.

Figuring the Acceleration of the Simple Pendulum

ERIC Educational Resources Information Center

Lieberherr, Martin

2011-01-01

The centripetal acceleration has been known since Huygens' (1659) and Newton's (1684) time. The physics to calculate the acceleration of a simple pendulum has been around for more than 300 years, and a fairly complete treatise has been given by C. Schwarz in this journal. But sentences like "the acceleration is always directed towards the…

A Simple Molecular Dynamics Lab to Calculate Viscosity as a Function of Temperature

ERIC Educational Resources Information Center

Eckler, Logan H.; Nee, Matthew J.

2016-01-01

A simple molecular dynamics experiment is described to demonstrate transport properties for the undergraduate physical chemistry laboratory. The AMBER package is used to monitor self-diffusion in "n"-hexane. Scripts (available in the Supporting Information) make the process considerably easier for students, allowing them to focus on the…

A non-iterative twin image elimination method with two in-line digital holograms

NASA Astrophysics Data System (ADS)

Kim, Jongwu; Lee, Heejung; Jeon, Philjun; Kim, Dug Young

2018-02-01

We propose a simple non-iterative in-line holographic measurement method which can effectively eliminate a twin image in digital holographic 3D imaging. It is shown that a twin image can be effectively eliminated with only two measured holograms by using a simple numerical propagation algorithm and arithmetic calculations.

A simple model for calculating air pollution within street canyons

NASA Astrophysics Data System (ADS)

Venegas, Laura E.; Mazzeo, Nicolás A.; Dezzutti, Mariana C.

2014-04-01

This paper introduces the Semi-Empirical Urban Street (SEUS) model. SEUS is a simple mathematical model based on the scaling of air pollution concentration inside street canyons employing the emission rate, the width of the canyon, the dispersive velocity scale and the background concentration. Dispersive velocity scale depends on turbulent motions related to wind and traffic. The parameterisations of these turbulent motions include two dimensionless empirical parameters. Functional forms of these parameters have been obtained from full scale data measured in street canyons at four European cities. The sensitivity of SEUS model is studied analytically. Results show that relative errors in the evaluation of the two dimensionless empirical parameters have less influence on model uncertainties than uncertainties in other input variables. The model estimates NO2 concentrations using a simple photochemistry scheme. SEUS is applied to estimate NOx and NO2 hourly concentrations in an irregular and busy street canyon in the city of Buenos Aires. The statistical evaluation of results shows that there is a good agreement between estimated and observed hourly concentrations (e.g. fractional bias are -10.3% for NOx and +7.8% for NO2). The agreement between the estimated and observed values has also been analysed in terms of its dependence on wind speed and direction. The model shows a better performance for wind speeds >2 m s-1 than for lower wind speeds and for leeward situations than for others. No significant discrepancies have been found between the results of the proposed model and that of a widely used operational dispersion model (OSPM), both using the same input information.

National Stormwater Calculator User's Guide - Version 1.2

EPA Science Inventory

The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US. It estimates the amount of stormwater runoff generated from a site under different development and control scenarios over a long term period of historica...

A Simple Approach for the Calculation of Energy Levels of Light Atoms

ERIC Educational Resources Information Center

Woodyard, Jack R., Sr.

1972-01-01

Describes a method for direct calculation of energy levels by using elementary techniques. Describes the limitations of the approach but also claims that with a minimum amount of labor a student can get greater understanding of atomic physics problems. (PS)

Using Programmable Calculators to Solve Electrostatics Problems.

ERIC Educational Resources Information Center

Yerian, Stephen C.; Denker, Dennis A.

1985-01-01

Provides a simple routine which allows first-year physics students to use programmable calculators to solve otherwise complex electrostatic problems. These problems involve finding electrostatic potential and electric field on the axis of a uniformly charged ring. Modest programing skills are required of students. (DH)

Sharing Teaching Ideas.

ERIC Educational Resources Information Center

Mathematics Teacher, 1981

1981-01-01

The following ideas are presented: plans for constructing a calculator bin rack that provides a place for a school to store and charge calculators; a lesson in geometry based on a news article about salt containers; and a very simple approach to the concept of infinite geometric series. (MP)

Eddy Currents: Levitation, Metal Detectors, and Induction Heating

ERIC Educational Resources Information Center

Wouch, G.; Lord, A. E., Jr.

1978-01-01

A simple and accessible calculation is given of the effects of eddy currents for a sphere in the field of a single circular loop of alternating current. These calculations should help toward the inclusion of eddy current effects in upper undergraduate physics courses. (BB)

Bolt clampup relaxation in a graphite/epoxy laminate

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Crews, J. H., Jr.

1982-01-01

A simple bolted joint was analyzed to calculate bolt clampup relaxation for a graphite/epoxy (T300/5208) laminate. A viscoelastic finite element analysis of a double-lap joint with a steel bolt was conducted. Clampup forces were calculated for various steady-state temperature-moisture conditions using a 20-year exposure duration. The finite element analysis predicted that clampup forces relax even for the room-temperature-dry condition. The relaxations were 8, 13, 20, and 30 percent for exposure durations of 1 day, 1 month, 1 year, and 20 years, respectively. As expected, higher temperatures and moisture levels each increased the relaxation rate. The combined viscoelastic effects of steady-state temperature and moisture appeared to be additive. From the finite-element analysis, a simple equation was developed for clampup force relaxation. This generalized equation was used to calculate clampup forces for the same temperature-moisture conditions as used in the finite-element analysis. The two sets of calculated results agreed well.

Infinitely dilute partial molar properties of proteins from computer simulation.

PubMed

Ploetz, Elizabeth A; Smith, Paul E

2014-11-13

A detailed understanding of temperature and pressure effects on an infinitely dilute protein's conformational equilibrium requires knowledge of the corresponding infinitely dilute partial molar properties. Established molecular dynamics methodologies generally have not provided a way to calculate these properties without either a loss of thermodynamic rigor, the introduction of nonunique parameters, or a loss of information about which solute conformations specifically contributed to the output values. Here we implement a simple method that is thermodynamically rigorous and possesses none of the above disadvantages, and we report on the method's feasibility and computational demands. We calculate infinitely dilute partial molar properties for two proteins and attempt to distinguish the thermodynamic differences between a native and a denatured conformation of a designed miniprotein. We conclude that simple ensemble average properties can be calculated with very reasonable amounts of computational power. In contrast, properties corresponding to fluctuating quantities are computationally demanding to calculate precisely, although they can be obtained more easily by following the temperature and/or pressure dependence of the corresponding ensemble averages.

A simple formula for estimating Stark widths of neutral lines. [of stellar atmospheres

NASA Technical Reports Server (NTRS)

Freudenstein, S. A.; Cooper, J.

1978-01-01

A simple formula for the prediction of Stark widths of neutral lines similar to the semiempirical method of Griem (1968) for ion lines is presented. This formula is a simplification of the quantum-mechanical classical path impact theory and can be used for complicated atoms for which detailed calculations are not readily available, provided that the effective position of the closest interacting level is known. The expression does not require the use of a computer. The formula has been applied to a limited number of neutral lines of interest, and the width obtained is compared with the much more complete calculations of Bennett and Griem (1971). The agreement generally is well within 50% of the published value for the lines investigated. Comparisons with other formulas are also made. In addition, a simple estimate for the ion-broadening parameter is given.

WEB downloadable software for training in cardiovascular hemodynamics in the (3-D) stress echo lab

PubMed Central

2010-01-01

When a physiological (exercise) stress echo is scheduled, interest focuses on wall motion segmental contraction abnormalities to diagnose ischemic response to stress, and on left ventricular ejection fraction to assess contractile reserve. Echocardiographic evaluation of volumes (plus standard assessment of heart rate and blood pressure) is ideally suited for the quantitative and accurate calculation of a set of parameters allowing a complete characterization of cardiovascular hemodynamics (including cardiac output and systemic vascular resistance), left ventricular elastance (mirroring left ventricular contractility, theoretically independent of preload and afterload changes heavily affecting the ejection fraction), arterial elastance, ventricular arterial coupling (a central determinant of net cardiovascular performance in normal and pathological conditions), and diastolic function (through the diastolic mean filling rate). All these parameters were previously inaccessible, inaccurate or labor-intensive and now become, at least in principle, available in the stress echocardiography laboratory since all of them need an accurate estimation of left ventricular volumes and stroke volume, easily derived from 3 D echo. Aims of this paper are: 1) to propose a simple method to assess a set of parameters allowing a complete characterization of cardiovascular hemodynamics in the stress echo lab, from basic measurements to calculations 2) to propose a simple, web-based software program, to learn and training calculations as a phantom of the everyday activity in the busy stress echo lab 3) to show examples of software testing in a way that proves its value. The informatics infrastructure is available on the web, linking to http://cctrainer.ifc.cnr.it PMID:21073738

The Effectiveness of the Component Impact Test Method for the Side Impact Injury Assessment of the Door Trim

NASA Astrophysics Data System (ADS)

Youn, Younghan; Koo, Jeong-Seo

The complete evaluation of the side vehicle structure and the occupant protection is only possible by means of the full scale side impact crash test. But, auto part manufacturers such as door trim makers can not conduct the test especially when the vehicle is under the developing process. The main objective of this study is to obtain the design guidelines by a simple component level impact test. The relationship between the target absorption energy and impactor speed were examined using the energy absorbed by the door trim. Since each different vehicle type required different energy levels on the door trim. A simple impact test method was developed to estimate abdominal injury by measuring reaction force of the impactor. The reaction force will be converted to a certain level of the energy by the proposed formula. The target of absorption energy for door trim only and the impact speed of simple impactor are derived theoretically based on the conservation of energy. With calculated speed of dummy and the effective mass of abdomen, the energy allocated in the abdomen area of door trim was calculated. The impactor speed can be calculated based on the equivalent energy of door trim absorbed during the full crash test. With the proposed design procedure for the door trim by a simple impact test method was demonstrated to evaluate the abdominal injury. This paper describes a study that was conducted to determine sensitivity of several design factors for reducing abdominal injury values using the matrix of orthogonal array method. In conclusion, with theoretical considerations and empirical test data, the main objective, standardization of door trim design using the simple impact test method was established.

An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation.

PubMed

Ilias, Miroslav; Saue, Trond

2007-02-14

The authors report the implementation of a simple one-step method for obtaining an infinite-order two-component (IOTC) relativistic Hamiltonian using matrix algebra. They apply the IOTC Hamiltonian to calculations of excitation and ionization energies as well as electric and magnetic properties of the radon atom. The results are compared to corresponding calculations using identical basis sets and based on the four-component Dirac-Coulomb Hamiltonian as well as Douglas-Kroll-Hess and zeroth-order regular approximation Hamiltonians, all implemented in the DIRAC program package, thus allowing a comprehensive comparison of relativistic Hamiltonians within the finite basis approximation.

Cosmic microwave background radiation anisotropies in brane worlds.

PubMed

Koyama, Kazuya

2003-11-28

We propose a new formulation to calculate the cosmic microwave background (CMB) spectrum in the Randall-Sundrum two-brane model based on recent progress in solving the bulk geometry using a low energy approximation. The evolution of the anisotropic stress imprinted on the brane by the 5D Weyl tensor is calculated. An impact of the dark radiation perturbation on the CMB spectrum is investigated in a simple model assuming an initially scale-invariant adiabatic perturbation. The dark radiation perturbation induces isocurvature perturbations, but the resultant spectrum can be quite different from the prediction of simple mixtures of adiabatic and isocurvature perturbations due to Weyl anisotropic stress.

Design and implementation of a simple nuclear power plant simulator

NASA Astrophysics Data System (ADS)

Miller, William H.

1983-02-01

A simple PWR nuclear power plant simulator has been designed and implemented on a minicomputer system. The system is intended for students use in understanding the power operation of a nuclear power plant. A PDP-11 minicomputer calculates reactor parameters in real time, uses a graphics terminal to display the results and a keyboard and joystick for control functions. Plant parameters calculated by the model include the core reactivity (based upon control rod positions, soluble boron concentration and reactivity feedback effects), the total core power, the axial core power distribution, the temperature and pressure in the primary and secondary coolant loops, etc.

[Shielding design and detection of neutrons from medical and industrial electron accelerators--simple method of design calculation for neutron shielding].

PubMed

Nakamura, T; Uwamino, Y

1986-02-01

The neutron leakage from medical and industrial electron accelerators has become an important problem and its detection and shielding is being performed in their facilities. This study provides a new simple method of design calculation for neutron shielding of those electron accelerator facilities by dividing into the following five categories; neutron dose distribution in the accelerator room, neutron attenuation through the wall and the door in the accelerator room, neutron and secondary photon dose distributions in the maze, neutron and secondary photon attenuation through the door at the end of the maze, neutron leakage outside the facility-skyshine.

The added mass forces in insect flapping wings.

PubMed

Liu, Longgui; Sun, Mao

2018-01-21

The added mass forces of three-dimensional (3D) flapping wings of some representative insects, and the accuracy of the often used simple two-dimensional (2D) method, are studied. The added mass force of a flapping wing is calculated by both 3D and 2D methods, and the total aerodynamic force of the wing is calculated by the CFD method. Our findings are as following. The added mass force has a significant contribution to the total aerodynamic force of the flapping wings during and near the stroke reversals, and the shorter the stroke amplitude is, the larger the added mass force becomes. Thus the added mass force could not be neglected when using the simple models to estimate the aerodynamics force, especially for insects with relatively small stroke amplitudes. The accuracy of the often used simple 2D method is reasonably good: when the aspect ratio of the wing is greater than about 3.3, error in the added mass force calculation due to the 2D assumption is less than 9%; even when the aspect ratio is 2.8 (approximately the smallest for an insect), the error is no more than 13%. Copyright © 2017 Elsevier Ltd. All rights reserved.

A Physics-Based Engineering Approach to Predict the Cross Section for Advanced SRAMs

NASA Astrophysics Data System (ADS)

Li, Lei; Zhou, Wanting; Liu, Huihua

2012-12-01

This paper presents a physics-based engineering approach to estimate the heavy ion induced upset cross section for 6T SRAM cells from layout and technology parameters. The new approach calculates the effects of radiation with junction photocurrent, which is derived based on device physics. The new and simple approach handles the problem by using simple SPICE simulations. At first, the approach uses a standard SPICE program on a typical PC to predict the SPICE-simulated curve of the collected charge vs. its affected distance from the drain-body junction with the derived junction photocurrent. And then, the SPICE-simulated curve is used to calculate the heavy ion induced upset cross section with a simple model, which considers that the SEU cross section of a SRAM cell is more related to a “radius of influence” around a heavy ion strike than to the physical size of a diffusion node in the layout for advanced SRAMs in nano-scale process technologies. The calculated upset cross section based on this method is in good agreement with the test results for 6T SRAM cells processed using 90 nm process technology.

Simple, explicitly time-dependent, and regular solutions of the linearized vacuum Einstein equations in Bondi-Sachs coordinates

NASA Astrophysics Data System (ADS)

Mädler, Thomas

2013-05-01

Perturbations of the linearized vacuum Einstein equations in the Bondi-Sachs formulation of general relativity can be derived from a single master function with spin weight two, which is related to the Weyl scalar Ψ0, and which is determined by a simple wave equation. By utilizing a standard spin representation of tensors on a sphere and two different approaches to solve the master equation, we are able to determine two simple and explicitly time-dependent solutions. Both solutions, of which one is asymptotically flat, comply with the regularity conditions at the vertex of the null cone. For the asymptotically flat solution we calculate the corresponding linearized perturbations, describing all multipoles of spin-2 waves that propagate on a Minkowskian background spacetime. We also analyze the asymptotic behavior of this solution at null infinity using a Penrose compactification and calculate the Weyl scalar Ψ4. Because of its simplicity, the asymptotically flat solution presented here is ideally suited for test bed calculations in the Bondi-Sachs formulation of numerical relativity. It may be considered as a sibling of the Bergmann-Sachs or Teukolsky-Rinne solutions, on spacelike hypersurfaces, for a metric adapted to null hypersurfaces.

A new algorithm to handle finite nuclear mass effects in electronic calculations: the ISOTOPE program.

PubMed

Gonçalves, Cristina P; Mohallem, José R

2004-11-15

We report the development of a simple algorithm to modify quantum chemistry codes based on the LCAO procedure, to account for the isotope problem in electronic structure calculations. No extra computations are required compared to standard Born-Oppenheimer calculations. An upgrade of the Gamess package called ISOTOPE is presented, and its applicability is demonstrated in some examples.

Statistically Derived System Relationship Models for the SASSY Management Unit, 1st Force Service Support Group, Camp Pendelton, California.

DTIC Science & Technology

1981-06-01

TI - 59 programmable calculator to aid...training. The Texas Instruments TI - 59 Programmable Calculator has only ten lettered registers that would be simple for clerical personnel to use (A...SASSY Management Units. Appendix C is a set of user instructions written for the Texas Instrument TI - 59 Programmable Calculator . The TI-59 was

Theoretical and Experimental Investigation of Random Gust Loads Part I : Aerodynamic Transfer Function of a Simple Wing Configuration in Incompressible Flow

NASA Technical Reports Server (NTRS)

Hakkinen, Raimo J; Richardson, A S , Jr

1957-01-01

Sinusoidally oscillating downwash and lift produced on a simple rigid airfoil were measured and compared with calculated values. Statistically stationary random downwash and the corresponding lift on a simple rigid airfoil were also measured and the transfer functions between their power spectra determined. The random experimental values are compared with theoretically approximated values. Limitations of the experimental technique and the need for more extensive experimental data are discussed.

NATIONAL STORMWATER CALCULATOR USER’S GUIDE – VERSION 1.1

EPA Science Inventory

The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US. It estimates the amount of stormwater runoff generated from a site under different development and control scenarios over a long term period of historica...

The Variation Theorem Applied to H-2+: A Simple Quantum Chemistry Computer Project

ERIC Educational Resources Information Center

Robiette, Alan G.

1975-01-01

Describes a student project which requires limited knowledge of Fortran and only minimal computing resources. The results illustrate such important principles of quantum mechanics as the variation theorem and the virial theorem. Presents sample calculations and the subprogram for energy calculations. (GS)

Calculating Strain Relief in Electronic-Component Leads

NASA Technical Reports Server (NTRS)

Snytsheuvel, H.

1985-01-01

Stress/strain formulas applicable to design of electronic-component leads compiled in report. Such things as factors of safety and whether or not lead is likely to fall in service determined in advance. Set of formulas is simple enough to be solved on programable hand-held calculator.

Gas flow calculation method of a ramjet engine

NASA Astrophysics Data System (ADS)

Kostyushin, Kirill; Kagenov, Anuar; Eremin, Ivan; Zhiltsov, Konstantin; Shuvarikov, Vladimir

2017-11-01

At the present study calculation methodology of gas dynamics equations in ramjet engine is presented. The algorithm is based on Godunov`s scheme. For realization of calculation algorithm, the system of data storage is offered, the system does not depend on mesh topology, and it allows using the computational meshes with arbitrary number of cell faces. The algorithm of building a block-structured grid is given. Calculation algorithm in the software package "FlashFlow" is implemented. Software package is verified on the calculations of simple configurations of air intakes and scramjet models.

Accuracy and Transferability of Ab Initio Electronic Band Structure Calculations for Doped BiFeO3

NASA Astrophysics Data System (ADS)

Gebhardt, Julian; Rappe, Andrew M.

2017-11-01

BiFeO3 is a multiferroic material and, therefore, highly interesting with respect to future oxide electronics. In order to realize such devices, pn junctions need to be fabricated, which are currently impeded by the lack of successful p-type doping in this material. In order to guide the numerous research efforts in this field, we recently finished a comprehensive computational study, investigating the influence of many dopants onto the electronic structure of BiFeO3. In order to allow for this large scale ab initio study, the computational setup had to be accurate and efficient. Here we discuss the details of this assessment, showing that standard density-functional theory (DFT) yields good structural properties. The obtained electronic structure, however, suffers from well-known shortcomings. By comparing the conventional DFT results for alkali and alkaline-earth metal doping with more accurate hybrid-DFT calculations, we show that, in this case, the problems of standard DFT go beyond a simple systematic error. Conventional DFT shows bad transferability and the more reliable hybrid-DFT has to be chosen for a qualitatively correct prediction of doping induced changes in the electronic structure of BiFeO3.

Optimization of Monte Carlo dose calculations: The interface problem

NASA Astrophysics Data System (ADS)

Soudentas, Edward

1998-05-01

High energy photon beams are widely used for radiation treatment of deep-seated tumors. The human body contains many types of interfaces between dissimilar materials that affect dose distribution in radiation therapy. Experimentally, significant radiation dose perturbations has been observed at such interfaces. The EGS4 Monte Carlo code was used to calculate dose perturbations at boundaries between dissimilar materials (such as bone/water) for 60Co and 6 MeV linear accelerator beams using a UNIX workstation. A simple test of the reliability of a random number generator was also developed. A systematic study of the adjustable parameters in EGS4 was performed in order to minimize calculational artifacts at boundaries. Calculations of dose perturbations at boundaries between different materials showed that there is a 12% increase in dose at water/bone interface, and a 44% increase in dose at water/copper interface. with the increase mainly due to electrons produced in water and backscattered from the high atomic number material. The dependence of the dose increase on the atomic number was also investigated. The clinically important case of using two parallel opposed beams for radiation therapy was investigated where increased doses at boundaries has been observed. The Monte Carlo calculations can provide accurate dosimetry data under conditions of electronic non-equilibrium at tissue interfaces.

Rainfall Threshold for Flash Flood Early Warning Based on Rational Equation: A Case Study of Zuojiao Watershed in Yunnan Province

NASA Astrophysics Data System (ADS)

Li, Q.; Wang, Y. L.; Li, H. C.; Zhang, M.; Li, C. Z.; Chen, X.

2017-12-01

Rainfall threshold plays an important role in flash flood warning. A simple and easy method, using Rational Equation to calculate rainfall threshold, was proposed in this study. The critical rainfall equation was deduced from the Rational Equation. On the basis of the Manning equation and the results of Chinese Flash Flood Survey and Evaluation (CFFSE) Project, the critical flow was obtained, and the net rainfall was calculated. Three aspects of the rainfall losses, i.e. depression storage, vegetation interception, and soil infiltration were considered. The critical rainfall was the sum of the net rainfall and the rainfall losses. Rainfall threshold was estimated after considering the watershed soil moisture using the critical rainfall. In order to demonstrate this method, Zuojiao watershed in Yunnan Province was chosen as study area. The results showed the rainfall thresholds calculated by the Rational Equation method were approximated to the rainfall thresholds obtained from CFFSE, and were in accordance with the observed rainfall during flash flood events. Thus the calculated results are reasonable and the method is effective. This study provided a quick and convenient way to calculated rainfall threshold of flash flood warning for the grass root staffs and offered technical support for estimating rainfall threshold.

Spin-orbit coupling effect on structural and magnetic properties of ConRh13-n (n = 0-13) clusters

NASA Astrophysics Data System (ADS)

Bai, Xi; Lv, Jin; Zhang, Fu-Qiang; Jia, Jian-Feng; Wu, Hai-Shun

2018-04-01

The effect of spin-orbit interaction on the structures and magnetism of ConRh13-n (n = 0-13) clusters have been systematically investigated by using the spin-orbit coupling (SOC) implementation of the density functional theory (DFT). The results calculated without SOC (NSOC) show that Rh13 prefers the double simple-cubic configuration, and icosahedron is the favorable structure for n = 1-9, while n ≥ 10, clusters favor the hexagonal bilayer structure. The inclusion of SOC in calculation does not change the geometries of clusters. Compared with that in NSOC calculation, although the binding energy per atom in clusters with same composition decreases in SOC calculation, the relative stability of clusters with different compositions does not change. An interesting result is that the spin moments of clusters for n = 1-9 are almost constant (21 μB). Spin-orbit interaction recovers orbital moment and its anisotropy by removing crystal-field effect in calculation. The destruction of bonding symmetry and relaxation of bonding account for high anisotropies of orbital moments in Co11Rh2 and CoRh12 clusters. With atomic composition (Co/Rh) around 4/9-5/8 and 9/4, the Co-Rh clusters exhibit high magnetic anisotropy energies.

Nailfold capillaroscopy for day-to-day clinical use: construction of a simple scoring modality as a clinical prognostic index for digital trophic lesions.

PubMed

Smith, Vanessa; De Keyser, Filip; Pizzorni, Carmen; Van Praet, Jens T; Decuman, Saskia; Sulli, Alberto; Deschepper, Ellen; Cutolo, Maurizio

2011-01-01

Construction of a simple nailfold videocapillaroscopic (NVC) scoring modality as a prognostic index for digital trophic lesions for day-to-day clinical use. An association with a single simple (semi)-quantitatively scored NVC parameter, mean score of capillary loss, was explored in 71 consecutive patients with systemic sclerosis (SSc), and reliable reduction in the number of investigated fields (F32-F16-F8-F4). The cut-off value of the prognostic index (mean score of capillary loss calculated over a reduced number of fields) for present/future digital trophic lesions was selected by receiver operating curve (ROC) analysis. Reduction in the number of fields for mean score of capillary loss was reliable from F32 to F8 (intraclass correlation coefficient of F16/F32: 0.97; F8/F32: 0.90). Based on ROC analysis, a prognostic index (mean score of capillary loss as calculated over F8) with a cut-off value of 1.67 is proposed. This value has a sensitivity of 72.22/70.00, specificity of 70.59/69.77, positive likelihood ratio of 2.46/2.32 and a negative likelihood ratio of 0.39/0.43 for present/future digital trophic lesions. A simple prognostic index for digital trophic lesions for daily use in SSc clinics is proposed, limited to the mean score of capillary loss as calculated over eight fields (8 fingers, 1 field per finger).

Climate system properties determining the social cost of carbon

NASA Astrophysics Data System (ADS)

Otto, Alexander; Todd, Benjamin J.; Bowerman, Niel; Frame, David J.; Allen, Myles R.

2013-06-01

The choice of an appropriate scientific target to guide global mitigation efforts is complicated by uncertainties in the temperature response to greenhouse gas emissions. Much climate policy discourse has been based on the equilibrium global mean temperature increase following a concentration stabilization scenario. This is determined by the equilibrium climate sensitivity (ECS) which, in many studies, shows persistent, fat-tailed uncertainty. However, for many purposes, the equilibrium response is less relevant than the transient response. Here, we show that one prominent policy variable, the social cost of carbon (SCC), is generally better constrained by the transient climate response (TCR) than by the ECS. Simple analytic expressions show the SCC to be directly proportional to the TCR under idealized assumptions when the rate at which we discount future damage equals 2.8%. Using ensemble simulations of a simple climate model we find that knowing the true value of the TCR can reduce the relative uncertainty in the SCC substantially more, up to a factor of 3, than knowing the ECS under typical discounting assumptions. We conclude that the TCR, which is better constrained by observations, less subject to fat-tailed uncertainty and more directly related to the SCC, is generally preferable to the ECS as a single proxy for the climate response in SCC calculations.

Bioheat model evaluations of laser effects on tissues: role of water evaporation and diffusion

NASA Astrophysics Data System (ADS)

Nagulapally, Deepthi; Joshi, Ravi P.; Thomas, Robert J.

2011-03-01

A two-dimensional, time-dependent bioheat model is applied to evaluate changes in temperature and water content in tissues subjected to laser irradiation. Our approach takes account of liquid-to-vapor phase changes and a simple diffusive flow of water within the biotissue. An energy balance equation considers blood perfusion, metabolic heat generation, laser absorption, and water evaporation. The model also accounts for the water dependence of tissue properties (both thermal and optical), and variations in blood perfusion rates based on local tissue injury. Our calculations show that water diffusion would reduce the local temperature increases and hot spots in comparison to simple models that ignore the role of water in the overall thermal and mass transport. Also, the reduced suppression of perfusion rates due to tissue heating and damage with water diffusion affect the necrotic depth. Two-dimensional results for the dynamic temperature, water content, and damage distributions will be presented for skin simulations. It is argued that reduction in temperature gradients due to water diffusion would mitigate local refractive index variations, and hence influence the phenomenon of thermal lensing. Finally, simple quantitative evaluations of pressure increases within the tissue due to laser absorption are presented.

Explicit bounds for the positive root of classes of polynomials with applications

NASA Astrophysics Data System (ADS)

Herzberger, Jürgen

2003-03-01

We consider a certain type of polynomial equations for which there exists--according to Descartes' rule of signs--only one simple positive root. These equations are occurring in Numerical Analysis when calculating or estimating the R-order or Q-order of convergence of certain iterative processes with an error-recursion of special form. On the other hand, these polynomial equations are very common as defining equations for the effective rate of return for certain cashflows like bonds or annuities in finance. The effective rate of interest i* for those cashflows is i*=q*-1, where q* is the unique positive root of such polynomial. We construct bounds for i* for a special problem concerning an ordinary simple annuity which is obtained by changing the conditions of such an annuity with given data applying the German rule (Preisangabeverordnung or short PAngV). Moreover, we consider a number of results for such polynomial roots in Numerical Analysis showing that by a simple variable transformation we can derive several formulas out of earlier results by applying this transformation. The same is possible in finance in order to generalize results to more complicated cashflows.

Rapid, in situ detection of cocaine residues based on paper spray ionization coupled with ion mobility spectrometry.

PubMed

Li, Ming; Zhang, Jingjing; Jiang, Jie; Zhang, Jing; Gao, Jing; Qiao, Xiaolin

2014-04-07

In this paper, a novel approach based on paper spray ionization coupled with ion mobility spectrometry (PSI-IMS) was developed for rapid, in situ detection of cocaine residues in liquid samples and on various surfaces (e.g. glass, marble, skin, wood, fingernails), without tedious sample pretreatment. The obvious advantages of PSI are its low cost, easy operation and simple configuration without using nebulizing gas or discharge gas. Compared with mass spectrometry, ion mobility spectrometry (IMS) takes advantage of its low cost, easy operation, and simple configuration without requiring a vacuum system. Therefore, IMS is a more congruous detection method for PSI in the case of rapid, in situ analysis. For the analysis of cocaine residues in liquid samples, dynamic responses from 5 μg mL(-1) to 200 μg mL(-1) with a linear coefficient (R(2)) of 0.992 were obtained. In this case, the limit of detection (LOD) was calculated to be 2 μg mL(-1) as signal to noise (S/N) was 3 with a relative standard deviation (RSD) of 6.5% for 11 measurements (n = 11). Cocaine residues on various surfaces such as metal, glass, marble, wood, skin, and fingernails were also directly analyzed before wiping the surfaces with a piece of paper. The LOD was calculated to be as low as 5 ng (S/N = 3, RSD = 6.3%, n = 11). This demonstrates the capability of the PSI-IMS method for direct detection of cocaine residues at scenes of cocaine administration. Our results show that PSI-IMS is a simple, sensitive, rapid and economical method for in situ detection of this illicit drug, which could help governments to combat drug abuse.

Do simple screening statistical tools help to detect reporting bias?

PubMed

Pirracchio, Romain; Resche-Rigon, Matthieu; Chevret, Sylvie; Journois, Didier

2013-09-02

As a result of reporting bias, or frauds, false or misunderstood findings may represent the majority of published research claims. This article provides simple methods that might help to appraise the quality of the reporting of randomized, controlled trials (RCT). This evaluation roadmap proposed herein relies on four steps: evaluation of the distribution of the reported variables; evaluation of the distribution of the reported p values; data simulation using parametric bootstrap and explicit computation of the p values. Such an approach was illustrated using published data from a retracted RCT comparing a hydroxyethyl starch versus albumin-based priming for cardiopulmonary bypass. Despite obvious nonnormal distributions, several variables are presented as if they were normally distributed. The set of 16 p values testing for differences in baseline characteristics across randomized groups did not follow a Uniform distribution on [0,1] (p = 0.045). The p values obtained by explicit computations were different from the results reported by the authors for the two following variables: urine output at 5 hours (calculated p value < 10-6, reported p ≥ 0.05); packed red blood cells (PRBC) during surgery (calculated p value = 0.08; reported p < 0.05). Finally, parametric bootstrap found p value > 0.05 in only 5 of the 10,000 simulated datasets concerning urine output 5 hours after surgery. Concerning PRBC transfused during surgery, parametric bootstrap showed that only the corresponding p value had less than a 50% chance to be inferior to 0.05 (3,920/10,000, p value < 0.05). Such simple evaluation methods might offer some warning signals. However, it should be emphasized that such methods do not allow concluding to the presence of error or fraud but should rather be used to justify asking for an access to the raw data.

Principles of Stagewise Separation Process Calculations: A Simple Algebraic Approach Using Solvent Extraction.

ERIC Educational Resources Information Center

Crittenden, Barry D.

1991-01-01

A simple liquid-liquid equilibrium (LLE) system involving a constant partition coefficient based on solute ratios is used to develop an algebraic understanding of multistage contacting in a first-year separation processes course. This algebraic approach to the LLE system is shown to be operable for the introduction of graphical techniques…

VET Program Completion Rates: An Evaluation of the Current Method. Occasional Paper

ERIC Educational Resources Information Center

National Centre for Vocational Education Research (NCVER), 2016

2016-01-01

This work asks one simple question: "how reliable is the method used by the National Centre for Vocational Education Research (NCVER) to estimate projected rates of VET program completion?" In other words, how well do early projections align with actual completion rates some years later? Completion rates are simple to calculate with a…

Inversion and approximation of Laplace transforms

NASA Technical Reports Server (NTRS)

Lear, W. M.

1980-01-01

A method of inverting Laplace transforms by using a set of orthonormal functions is reported. As a byproduct of the inversion, approximation of complicated Laplace transforms by a transform with a series of simple poles along the left half plane real axis is shown. The inversion and approximation process is simple enough to be put on a programmable hand calculator.

Comparison of different objective functions for parameterization of simple respiration models

Treesearch

M.T. van Wijk; B. van Putten; D.Y. Hollinger; A.D. Richardson

2008-01-01

The eddy covariance measurements of carbon dioxide fluxes collected around the world offer a rich source for detailed data analysis. Simple, aggregated models are attractive tools for gap filling, budget calculation, and upscaling in space and time. Key in the application of these models is their parameterization and a robust estimate of the uncertainty and reliability...

Interaction of Simple Ions with Water: Theoretical Models for the Study of Ion Hydration

ERIC Educational Resources Information Center

Gancheff, Jorge S.; Kremer, Carlos; Ventura, Oscar N.

2009-01-01

A computational experiment aimed to create and systematically analyze models of simple cation hydrates is presented. The changes in the structure (bond distances and angles) and the electronic density distribution of the solvent and the thermodynamic parameters of the hydration process are calculated and compared with the experimental data. The…

Experimental Evaluation of the Drag Coefficient of Water Rockets by a Simple Free-Fall Test

ERIC Educational Resources Information Center

Barrio-Perotti, R.; Blanco-Marigorta, E. Arguelles-Diaz, K.; Fernandez-Oro, J.

2009-01-01

The flight trajectory of a water rocket can be reasonably calculated if the magnitude of the drag coefficient is known. The experimental determination of this coefficient with enough precision is usually quite difficult, but in this paper we propose a simple free-fall experiment for undergraduate students to reasonably estimate the drag…

OrthoANI: An improved algorithm and software for calculating average nucleotide identity.

PubMed

Lee, Imchang; Ouk Kim, Yeong; Park, Sang-Cheol; Chun, Jongsik

2016-02-01

Species demarcation in Bacteria and Archaea is mainly based on overall genome relatedness, which serves a framework for modern microbiology. Current practice for obtaining these measures between two strains is shifting from experimentally determined similarity obtained by DNA-DNA hybridization (DDH) to genome-sequence-based similarity. Average nucleotide identity (ANI) is a simple algorithm that mimics DDH. Like DDH, ANI values between two genome sequences may be different from each other when reciprocal calculations are compared. We compared 63 690 pairs of genome sequences and found that the differences in reciprocal ANI values are significantly high, exceeding 1 % in some cases. To resolve this problem of not being symmetrical, a new algorithm, named OrthoANI, was developed to accommodate the concept of orthology for which both genome sequences were fragmented and only orthologous fragment pairs taken into consideration for calculating nucleotide identities. OrthoANI is highly correlated with ANI (using BLASTn) and the former showed approximately 0.1 % higher values than the latter. In conclusion, OrthoANI provides a more robust and faster means of calculating average nucleotide identity for taxonomic purposes. The standalone software tools are freely available at http://www.ezbiocloud.net/sw/oat.

Multiconfiguration resonating-group theory of the seven-nucleon system with realistic cluster wave functions

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

Fujiwara, Y.; Tang, Y.C.

1985-02-01

The properties of the seven-nucleon system are examined with a multiconfiguration and multi- channel resonating-group calculation. The cluster internal functions employed explain the charge-form-factor data over a wide range of q/sup 2/ and satisfy the variational stability condition quite well. The model space used is spanned by /sup 3/H+..cap alpha.., n+ /sup 6/Li, n+ /sup 6/Li(, and d+ /sup 5/He cluster configurations. The result shows that the specific distortion of the /sup 3/H+..cap alpha.. system is quite significant. With our multiconfiguration calculation, the ground-state energy is improved by more than 1 MeV. The calculated level spectrum agrees well with themore » level spectrum empirically determined. The energy positions of both natural-parity and unnatural-parity levels are reasonably explained. In addition, we find that, because of centrifugal-barrier effects, the aligned configuration generally makes the most sig- nificant contribution. The characteristics of nucleon-exchange terms are also briefly examined. Here it is found that, at sufficiently high energies where sharp resonance levels do not exist, the essential properties of these terms can already be learned by performing relatively simple single-configuration calculations.« less

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

NASA Astrophysics Data System (ADS)

Sun, Jiu-Xun; Cai, Ling-Cang; Wu, Qiang; Jin, Ke

2013-09-01

Based on the expansion and extension of the virial equation of state (EOS) of hard-sphere fluids solved by the Percus-Yevick integration equation, a universal cubic (UC) EOS is developed. The UC EOS is applied to model hard-sphere and Lennard-Jones (LJ) fluids, simple Ar and N2 liquids at low temperatures, and supercritical Ar and N2 fluids at high temperatures, as well as ten solids, respectively. The three parameters are determined for the hard-sphere fluid by fitting molecular dynamics (MD) simulation data of the third to eighth virial coefficients in the literature; for other fluids by fitting isothermal compression data; and for solids by using the Einstein model. The results show that the UC EOS gives better results than the Carnahan-Starling EOS for compressibility of hard-sphere fluids. The Helmholtz free energy and internal energy for LJ fluids are predicted and compared with MD simulation data. The calculated pressures for simple Ar and N2 liquids are compared with experimental data. The agreement is fairly good. Eight three-parameter EOSs are applied to describe isothermals of ten typical solids. It is shown that the UC EOS gives the best precision with correct behavior at high-pressure limitation. The UC EOS considering thermal effects is used to analytically evaluate the isobaric thermal expansivity and isothermal compressibility coefficients. The results are in good agreement with experimental data.

Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set

PubMed Central

2015-01-01

We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for the set of 28 molecules constituting the well-known Thiel’s set, complemented by a series of small molecules representative of the dye chemistry field. We show that Bethe–Salpeter calculations based on a molecular orbital energy spectrum obtained with non-self-consistent G0W0 calculations starting from semilocal DFT functionals dramatically underestimate the transition energies. Starting from the popular PBE0 hybrid functional significantly improves the results even though this leads to an average −0.59 eV redshift compared to reference calculations for Thiel’s set. It is shown, however, that a simple self-consistent scheme at the GW level, with an update of the quasiparticle energies, not only leads to a much better agreement with reference values, but also significantly reduces the impact of the starting DFT functional. On average, the Bethe–Salpeter scheme based on self-consistent GW calculations comes close to the best time-dependent DFT calculations with the PBE0 functional with a 0.98 correlation coefficient and a 0.18 (0.25) eV mean absolute deviation compared to TD-PBE0 (theoretical best estimates) with a tendency to be red-shifted. We also observe that TD-DFT and the standard adiabatic Bethe–Salpeter implementation may differ significantly for states implying a large multiple excitation character. PMID:26207104

Determining Normal-Distribution Tolerance Bounds Graphically

NASA Technical Reports Server (NTRS)

Mezzacappa, M. A.

1983-01-01

Graphical method requires calculations and table lookup. Distribution established from only three points: mean upper and lower confidence bounds and lower confidence bound of standard deviation. Method requires only few calculations with simple equations. Graphical procedure establishes best-fit line for measured data and bounds for selected confidence level and any distribution percentile.

Using Paperclips to Explain Empirical Formulas to Students

ERIC Educational Resources Information Center

Nassiff, Peter; Czerwinski, Wendy A.

2014-01-01

Early in their chemistry education, students learn to do empirical formula calculations by rote without an understanding of the historical context behind them or the reason why their calculations work. In these activities, students use paperclip "atoms", construct a series of simple compounds representing real molecules, and discover,…

Not Just for Computation: Basic Calculators Can Advance the Process Standards

ERIC Educational Resources Information Center

Moss, Laura J.; Grover, Barbara W.

2007-01-01

Simple nongraphing calculators can be powerful tools to enhance students' conceptual understanding of mathematics concepts. Students have opportunities to develop (1) a broad repertoire of problem-solving strategies by observing multiple solution strategies; (2) respect for other students' abilities and ways of thinking about mathematics; (3) the…

Computer supplies insulation recipe for Cookie Company Roof

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

Not Available

Roofing contractors no longer have to rely on complicated calculations and educated guesses to determine cost-efficient levels of roof insulation. A simple hand-held calculator and printer offers seven different programs for fast figuring insulation thickness based on job type, roof size, tax rates, and heating and cooling cost factors.

Applied statistics in ecology: common pitfalls and simple solutions

Treesearch

E. Ashley Steel; Maureen C. Kennedy; Patrick G. Cunningham; John S. Stanovick

2013-01-01

The most common statistical pitfalls in ecological research are those associated with data exploration, the logic of sampling and design, and the interpretation of statistical results. Although one can find published errors in calculations, the majority of statistical pitfalls result from incorrect logic or interpretation despite correct numerical calculations. There...

Symmetry dependence of holograms for optical trapping

NASA Astrophysics Data System (ADS)

Curtis, Jennifer E.; Schmitz, Christian H. J.; Spatz, Joachim P.

2005-08-01

No iterative algorithm is necessary to calculate holograms for most holographic optical trapping patterns. Instead, holograms may be produced by a simple extension of the prisms-and-lenses method. This formulaic approach yields the same diffraction efficiency as iterative algorithms for any asymmetric or symmetric but nonperiodic pattern of points while requiring less calculation time. A slight spatial disordering of periodic patterns significantly reduces intensity variations between the different traps without extra calculation costs. Eliminating laborious hologram calculations should greatly facilitate interactive holographic trapping.

Recovering 3D particle size distributions from 2D sections

NASA Astrophysics Data System (ADS)

Cuzzi, Jeffrey N.; Olson, Daniel M.

2017-03-01

We discuss different ways to convert observed, apparent particle size distributions from 2D sections (thin sections, SEM maps on planar surfaces, etc.) into true 3D particle size distributions. We give a simple, flexible, and practical method to do this; show which of these techniques gives the most faithful conversions; and provide (online) short computer codes to calculate both 2D-3D recoveries and simulations of 2D observations by random sectioning. The most important systematic bias of 2D sectioning, from the standpoint of most chondrite studies, is an overestimate of the abundance of the larger particles. We show that fairly good recoveries can be achieved from observed size distributions containing 100-300 individual measurements of apparent particle diameter.

VC-dimension of univariate decision trees.

PubMed

Yildiz, Olcay Taner

2015-02-01

In this paper, we give and prove the lower bounds of the Vapnik-Chervonenkis (VC)-dimension of the univariate decision tree hypothesis class. The VC-dimension of the univariate decision tree depends on the VC-dimension values of its subtrees and the number of inputs. Via a search algorithm that calculates the VC-dimension of univariate decision trees exhaustively, we show that our VC-dimension bounds are tight for simple trees. To verify that the VC-dimension bounds are useful, we also use them to get VC-generalization bounds for complexity control using structural risk minimization in decision trees, i.e., pruning. Our simulation results show that structural risk minimization pruning using the VC-dimension bounds finds trees that are more accurate as those pruned using cross validation.

Analysis of high aspect ratio jet flap wings of arbitrary geometry.

NASA Technical Reports Server (NTRS)

Lissaman, P. B. S.

1973-01-01

Paper presents a design technique for rapidly computing lift, induced drag, and spanwise loading of unswept jet flap wings of arbitrary thickness, chord, twist, blowing, and jet angle, including discontinuities. Linear theory is used, extending Spence's method for elliptically loaded jet flap wings. Curves for uniformly blown rectangular wings are presented for direct performance estimation. Arbitrary planforms require a simple computer program. Method of reducing wing to equivalent stretched, twisted, unblown planform for hand calculation is also given. Results correlate with limited existing data, and show lifting line theory is reasonable down to aspect ratios of 5.

Predicting charmonium and bottomonium spectra with a quark harmonic oscillator

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Badavi, F. F.; Townsend, L. W.

1986-01-01

The nonrelativistic quark model is applied to heavy (nonrelativistic) meson (two-body) systems to obtain sufficiently accurate predictions of the spin-averaged mass levels of the charmonium and bottomonium spectra as an example of the three-dimensional harmonic oscillator. The present calculations do not include any spin dependence, but rather, mass values are averaged for different spins. Results for a charmed quark mass value of 1500 MeV/c-squared show that the simple harmonic oscillator model provides good agreement with experimental values for 3P states, and adequate agreement for the 3S1 states.

Electric field detection of phase-locked near-infrared pulses using photoconductive antenna.

PubMed

Katayama, I; Akai, R; Bito, M; Matsubara, E; Ashida, M

2013-07-15

We have demonstrated that a photoconductive antenna gated with 5-fs ultrashort laser pulses can detect electric field transients of near-infrared pulses at least up to 180 THz. Measured sensitivity spectrum of the antenna shows a good agreement with a simple calculation, demonstrating the promising capability of the antenna to near infrared spectroscopy. Using this setup, near-infrared time-domain spectroscopy and characterization of phase controlled near-infrared pulses are demonstrated. Observed absorption spectrum of a polystyrene film and complex refractive index dispersion of a fused silica plate both agree well with those obtained by the conventional methods.

Allele-sharing models: LOD scores and accurate linkage tests.

PubMed

Kong, A; Cox, N J

1997-11-01

Starting with a test statistic for linkage analysis based on allele sharing, we propose an associated one-parameter model. Under general missing-data patterns, this model allows exact calculation of likelihood ratios and LOD scores and has been implemented by a simple modification of existing software. Most important, accurate linkage tests can be performed. Using an example, we show that some previously suggested approaches to handling less than perfectly informative data can be unacceptably conservative. Situations in which this model may not perform well are discussed, and an alternative model that requires additional computations is suggested.

Allele-sharing models: LOD scores and accurate linkage tests.

PubMed Central

Kong, A; Cox, N J

1997-01-01

Starting with a test statistic for linkage analysis based on allele sharing, we propose an associated one-parameter model. Under general missing-data patterns, this model allows exact calculation of likelihood ratios and LOD scores and has been implemented by a simple modification of existing software. Most important, accurate linkage tests can be performed. Using an example, we show that some previously suggested approaches to handling less than perfectly informative data can be unacceptably conservative. Situations in which this model may not perform well are discussed, and an alternative model that requires additional computations is suggested. PMID:9345087

Implications of new gravity data for Baikal Rift zone structure

NASA Technical Reports Server (NTRS)

Ruppel, C.; Kogan, M. G.; Mcnutt, M. K.

1993-01-01

Newly available, 2D Bouguer gravity anomaly data from the Baikal Rift zone, Siberia, indicate that this discrete, intracontinental rift system is regionally compensated by an elastic plate about 50 km thick. However, spectral and spatial domain analyses and isostatic anomaly calculations show that simple elastic plate theory does not offer an adequate explanation for compensation in the rift zone, probably because of significant lateral variations in plate strength and the presence of subsurface loads. Our results and other geophysical observations support the interpretation that the Baikal Rift zone is colder than either the East African or Rio Grande rift.

Electronic Transport Through Carbon Nanotubes: Effects of Structural Deformation and the Tube Chirality

NASA Technical Reports Server (NTRS)

Maiti, Amitesh; Svizhenko, Alexei; Anantram, M. P.; Biegel, Bryan (Technical Monitor)

2001-01-01

Atomistic simulations using a combination of classical force field and Density-Functional-Theory (DFT) show that carbon atoms remain essentially sp2 coordinated in either bent tubes or tubes pushed by an atomically sharp AFM tip. Subsequent Green's-function-based transport calculations reveal that for armchair tubes there is no significant drop in conductance, while for zigzag tubes the conductance can drop by several orders of magnitude in AFM-pushed tubes. The effect can be attributed to simple stretching of the tube under tip deformation, which opens up an energy gap at the Fermi surface.

Nutrient chemotaxis suppression of a diffusive instability in bacterial colony dynamics

NASA Astrophysics Data System (ADS)

Arouh, Scott; Levine, Herbert

2000-07-01

Bacteria grown on a semisolid agar surface have been observed to form branching patterns as the colony envelope propagates outward. The fundamental cause of this instability relates to the need for limited nutrient to diffuse towards the colony. Here, we investigate the effect on this instability of allowing the bacteria to move chemotactically in response to the nutrient gradient. Our results show that this additional effect has a tendency to suppress the instability. Our calculations are done within the context of a simple ``cutoff'' model of colony dynamics, but presumably remain valid for more complex and hence more realistic approaches.

Nonlinear model for an optical read-only-memory disk readout channel based on an edge-spread function.

PubMed

Kobayashi, Seiji

2002-05-10

A point-spread function (PSF) is commonly used as a model of an optical disk readout channel. However, the model given by the PSF does not contain the quadratic distortion generated by the photo-detection process. We introduce a model for calculating an approximation of the quadratic component of a signal. We show that this model can be further simplified when a read-only-memory (ROM) disk is assumed. We introduce an edge-spread function by which a simple nonlinear model of an optical ROM disk readout channel is created.

Multi-Detection Events, Probability Density Functions, and Reduced Location Area

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

Eslinger, Paul W.; Schrom, Brian T.

2016-03-01

Abstract Several efforts have been made in the Comprehensive Nuclear-Test-Ban Treaty (CTBT) community to assess the benefits of combining detections of radionuclides to improve the location estimates available from atmospheric transport modeling (ATM) backtrack calculations. We present a Bayesian estimation approach rather than a simple dilution field of regard approach to allow xenon detections and non-detections to be combined mathematically. This system represents one possible probabilistic approach to radionuclide event formation. Application of this method to a recent interesting radionuclide event shows a substantial reduction in the location uncertainty of that event.

Wigner molecules in carbon-nanotube quantum dots

NASA Astrophysics Data System (ADS)

Secchi, Andrea; Rontani, Massimo

2010-07-01

We demonstrate that electrons in quantum dots defined by electrostatic gates in semiconductor nanotubes freeze orderly in space realizing a “Wigner molecule.” Our exact diagonalization calculations uncover the features of the electron molecule, which may be accessed by tunneling spectroscopy—indeed some of them have already been observed by Deshpande and Bockrath [Nat. Phys. 4, 314 (2008)]10.1038/nphys895. We show that numerical results are satisfactorily reproduced by a simple ansatz vibrational wave function: electrons have localized wave functions, like nuclei in an ordinary molecule, whereas low-energy excitations are collective vibrations of electrons around their equilibrium positions.

Prospect of the high efficiency for the VEST (Via-hole Etching for the Separation of Thin films) cell

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

Deguchi, M.; Kawama, Y.; Matsuno, Y.

1994-12-31

The optimum design of the via-holes for the VEST cell was studied. Using a simple model, fill factors of the VEST cell were calculated. As for the via-hole distribution pattern, square grid pattern was found to be most suitable from the view points of the cell performance and the easiness of the electrode designing. It was found that the fill factor large enough (> 0.79) for the high efficiency can be obtained. A fabricated test cell showed the efficiency of 14.4%. Further improvement (efficiency over 18%) is possibly expected.

Validation of Calculations in a Digital Thermometer Firmware

NASA Astrophysics Data System (ADS)

Batagelj, V.; Miklavec, A.; Bojkovski, J.

2014-04-01

State-of-the-art digital thermometers are arguably remarkable measurement instruments, measuring outputs from resistance thermometers and/or thermocouples. Not only that they can readily achieve measuring accuracies in the parts-per-million range, but they also incorporate sophisticated algorithms for the transformation calculation of the measured resistance or voltage to temperature. These algorithms often include high-order polynomials, exponentials and logarithms, and must be performed using both standard coefficients and particular calibration coefficients. The numerical accuracy of these calculations and the associated uncertainty component must be much better than the accuracy of the raw measurement in order to be negligible in the total measurement uncertainty. In order for the end-user to gain confidence in these calculations as well as to conform to formal requirements of ISO/IEC 17025 and other standards, a way of validation of these numerical procedures performed in the firmware of the instrument is required. A software architecture which allows a simple validation of internal measuring instrument calculations is suggested. The digital thermometer should be able to expose all its internal calculation functions to the communication interface, so the end-user can compare the results of the internal measuring instrument calculation with reference results. The method can be regarded as a variation of the black-box software validation. Validation results on a thermometer prototype with implemented validation ability show that the calculation error of basic arithmetic operations is within the expected rounding error. For conversion functions, the calculation error is at least ten times smaller than the thermometer effective resolution for the particular probe type.

Simple analytical relations for ship bow waves

NASA Astrophysics Data System (ADS)

Noblesse, Francis; Delhommeau, G.?Rard; Guilbaud, Michel; Hendrix, Dane; Yang, Chi

Simple analytical relations for the bow wave generated by a ship in steady motion are given. Specifically, simple expressions that define the height of a ship bow wave, the distance between the ship stem and the crest of the bow wave, the rise of water at the stem, and the bow wave profile, explicitly and without calculations, in terms of the ship speed, draught, and waterline entrance angle, are given. Another result is a simple criterion that predicts, also directly and without calculations, when a ship in steady motion cannot generate a steady bow wave. This unsteady-flow criterion predicts that a ship with a sufficiently fine waterline, specifically with waterline entrance angle 2, may generate a steady bow wave at any speed. However, a ship with a fuller waterline (25E) can only generate a steady bow wave if the ship speed is higher than a critical speed, defined in terms of αE by a simple relation. No alternative criterion for predicting when a ship in steady motion does not generate a steady bow wave appears to exist. A simple expression for the height of an unsteady ship bow wave is also given. In spite of their remarkable simplicity, the relations for ship bow waves obtained in the study (using only rudimentary physical and mathematical considerations) are consistent with experimental measurements for a number of hull forms having non-bulbous wedge-shaped bows with small flare angle, and with the authors' measurements and observations for a rectangular flat plate towed at a yaw angle.

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

Vega-Carrillo, Hector Rene; Manzanares-Acuna, Eduardo; Hernandez-Davila, Victor Martin

The use of 131I is widely used in diagnostic and treatment of patients. If the patient is pregnant the 131I presence in the thyroid it becomes a source of constant exposition to other organs and the fetus. In this study the absorbed dose in the uterus of a 3 months pregnant woman with 131I in her thyroid gland has been calculated. The dose was determined using Monte Carlo methods in which a detailed model of the woman has been developed. The dose was also calculated using a simple procedure that was refined including the photons' attenuation in the woman organsmore » and body. To verify these results an experiment was carried out using a neck phantom with 131I. Comparing the results it was found that the simple calculation tend to overestimate the absorbed dose, by doing the corrections due to body and organs photon attenuation the dose is 0.14 times the Monte Carlo estimation.« less

General Procedure for the Easy Calculation of pH in an Introductory Course of General or Analytical Chemistry

ERIC Educational Resources Information Center

Cepriá, Gemma; Salvatella, Luis

2014-01-01

All pH calculations for simple acid-base systems used in introductory courses on general or analytical chemistry can be carried out by using a general procedure requiring the use of predominance diagrams. In particular, the pH is calculated as the sum of an independent term equaling the average pK[subscript a] values of the acids involved in the…

Enhancing light absorption within the carrier transport length in quantum junction solar cells.

PubMed

Fu, Yulan; Hara, Yukihiro; Miller, Christopher W; Lopez, Rene

2015-09-10

Colloidal quantum dot (CQD) solar cells have attracted tremendous attention because of their tunable absorption spectrum window and potentially low processing cost. Recently reported quantum junction solar cells represent a promising approach to building a rectifying photovoltaic device that employs CQD layers on each side of the p-n junction. However, the ultimate efficiency of CQD solar cells is still highly limited by their high trap state density in both p- and n-type CQDs. By modeling photonic structures to enhance the light absorption within the carrier transport length and by ensuring that the carrier generation and collection efficiencies were both augmented, our work shows that overall device current density could be improved. We utilized a two-dimensional numerical model to calculate the characteristics of patterned CQD solar cells based on a simple grating structure. Our calculation predicts a short circuit current density as high as 31  mA/cm², a value nearly 1.5 times larger than that of the conventional flat design, showing the great potential value of patterned quantum junction solar cells.

History dependent crystallization of Zr41Ti14Cu12Ni10Be23 melts

NASA Astrophysics Data System (ADS)

Schroers, Jan; Johnson, William L.

2000-07-01

The crystallization of Zr41Ti14Cu12Ni10Be23 (Vit 1) melts during constant heating is investigated. (Vit 1) melts are cooled with different rates into the amorphous state and the crystallization temperature upon subsequent heating is studied. In addition, Vit 1 melts are cooled using a constant rate to different temperatures and subsequently heated from this temperature with a constant rate. We investigate the influence of the temperature to which the melt was cooled on the crystallization temperature measured upon heating. In both cases the onset temperature of crystallization shows strong history dependence. This can be explained by an accumulating process during cooling and heating. An attempt is made to consider this process in a simple model by steady state nucleation and subsequent growth of the nuclei which results in different crystallization kinetics during cooling or heating. Calculations show qualitative agreement with the experimental results. However, calculated and experimental results differ quantitatively. This difference can be explained by a decomposition process leading to a nonsteady nucleation rate which continuously increases with decreasing temperature.

Effect of pore geometry on the compressibility of a confined simple fluid

NASA Astrophysics Data System (ADS)

Dobrzanski, Christopher D.; Maximov, Max A.; Gor, Gennady Y.

2018-02-01

Fluids confined in nanopores exhibit properties different from the properties of the same fluids in bulk; among these properties is the isothermal compressibility or elastic modulus. The modulus of a fluid in nanopores can be extracted from ultrasonic experiments or calculated from molecular simulations. Using Monte Carlo simulations in the grand canonical ensemble, we calculated the modulus for liquid argon at its normal boiling point (87.3 K) adsorbed in model silica pores of two different morphologies and various sizes. For spherical pores, for all the pore sizes (diameters) exceeding 2 nm, we obtained a logarithmic dependence of fluid modulus on the vapor pressure. Calculation of the modulus at saturation showed that the modulus of the fluid in spherical pores is a linear function of the reciprocal pore size. The calculation of the modulus of the fluid in cylindrical pores appeared too scattered to make quantitative conclusions. We performed additional simulations at higher temperature (119.6 K), at which Monte Carlo insertions and removals become more efficient. The results of the simulations at higher temperature confirmed both regularities for cylindrical pores and showed quantitative difference between the fluid moduli in pores of different geometries. Both of the observed regularities for the modulus stem from the Tait-Murnaghan equation applied to the confined fluid. Our results, along with the development of the effective medium theories for nanoporous media, set the groundwork for analysis of the experimentally measured elastic properties of fluid-saturated nanoporous materials.

Calculation of the Intensity of Physical Time Fluctuations Using the Standard Solar Model and its Comparison with the Results of Experimental Measurements

NASA Astrophysics Data System (ADS)

Morozov, A. N.

2017-11-01

The article reviews the possibility of describing physical time as a random Poisson process. An equation allowing the intensity of physical time fluctuations to be calculated depending on the entropy production density within irreversible natural processes has been proposed. Based on the standard solar model the work calculates the entropy production density inside the Sun and the dependence of the intensity of physical time fluctuations on the distance to the centre of the Sun. A free model parameter has been established, and the method of its evaluation has been suggested. The calculations of the entropy production density inside the Sun showed that it differs by 2-3 orders of magnitude in different parts of the Sun. The intensity of physical time fluctuations on the Earth's surface depending on the entropy production density during the sunlight-to-Earth's thermal radiation conversion has been theoretically predicted. A method of evaluation of the Kullback's measure of voltage fluctuations in small amounts of electrolyte has been proposed. Using a simple model of the Earth's surface heat transfer to the upper atmosphere, the effective Earth's thermal radiation temperature has been determined. A comparison between the theoretical values of the Kullback's measure derived from the fluctuating physical time model and the experimentally measured values of this measure for two independent electrolytic cells showed a good qualitative and quantitative concurrence of predictions of both theoretical model and experimental data.

Climatic consequences of observed ozone loss in the 1980s: Relevance to the greenhouse problem

NASA Technical Reports Server (NTRS)

Molnar, G. I.; Ko, M. K. W.; Zhou, S.; Sze, N. D.

1994-01-01

Recently published findings using satellite and ground-based observations indicate a large winter and summertime decrease in the column abundance of ozone at high and middle latitudes during the last decade. Using a simple ozone depletion profile reflecting the observed decrease in ozone column abundance, Ramaswamy et al. (1992) showed that the negative radiative forcing that results from the ozone decrease between 1979 and 1990 approximately balanced the greenhouse climate forcing due to the chlorofluorocarbons emitted during the same period. Here, we extend the forcing analyses by calculating the equilibrium surface temperature response explicitly, using an updated version of the Atmospheric and Environmental Research two-dimensional radiative-dynamical seasonal model. The calculated steady state responses suggest that the surface cooling due to the ozone depletion in the lower stratosphere offsets about 30% of the surface warming due to greenhouse gases emitted during the same decade. The temperature offset is roughly a factor of 2 larger than the corresponding offset obtained from forcing intercomparisons. This result appears to be related to the climate feedback mechanisms operating in the model troposphere, most notably that associated with atmospheric meridional heat transport. Thus a comprehensive assessment of ozone change effects on the predicted greenhouse warming cannot be accomplished based on forcing evaluations alone. Our results also show that calculations adopting a seasonally and latitudinally dependent ozone depletion profile produce a negative forcing about 50% smaller than that calculated for the depletion profile used by Ramaswamy et al. (1992).

A simple method for the extraction and identification of light density microplastics from soil.

PubMed

Zhang, Shaoliang; Yang, Xiaomei; Gertsen, Hennie; Peters, Piet; Salánki, Tamás; Geissen, Violette

2018-03-01

This article introduces a simple and cost-saving method developed to extract, distinguish and quantify light density microplastics of polyethylene (PE) and polypropylene (PP) in soil. A floatation method using distilled water was used to extract the light density microplastics from soil samples. Microplastics and impurities were identified using a heating method (3-5s at 130°C). The number and size of particles were determined using a camera (Leica DFC 425) connected to a microscope (Leica wild M3C, Type S, simple light, 6.4×). Quantification of the microplastics was conducted using a developed model. Results showed that the floatation method was effective in extracting microplastics from soils, with recovery rates of approximately 90%. After being exposed to heat, the microplastics in the soil samples melted and were transformed into circular transparent particles while other impurities, such as organic matter and silicates were not changed by the heat. Regression analysis of microplastics weight and particle volume (a calculation based on image J software analysis) after heating showed the best fit (y=1.14x+0.46, R 2 =99%, p<0.001). Recovery rates based on the empirical model method were >80%. Results from field samples collected from North-western China prove that our method of repetitive floatation and heating can be used to extract, distinguish and quantify light density polyethylene microplastics in soils. Microplastics mass can be evaluated using the empirical model. Copyright © 2017 Elsevier B.V. All rights reserved.

Rules of Thumb for Depth of Investigation, Pseudo-Position and Resolution of the Electrical Resistivity Method from Analysis of the Moments of the Sensitivity Function for a Homogeneous Half-Space

NASA Astrophysics Data System (ADS)

Butler, S. L.

2017-12-01

The electrical resistivity method is now highly developed with 2D and even 3D surveys routinely performed and with available fast inversion software. However, rules of thumb, based on simple mathematical formulas, for important quantities like depth of investigation, horizontal position and resolution have not previously been available and would be useful for survey planning, preliminary interpretation and general education about the method. In this contribution, I will show that the sensitivity function for the resistivity method for a homogeneous half-space can be analyzed in terms of its first and second moments which yield simple mathematical formulas. The first moment gives the sensitivity-weighted center of an apparent resistivity measurement with the vertical center being an estimate of the depth of investigation. I will show that this depth of investigation estimate works at least as well as previous estimates based on the peak and median of the depth sensitivity function which must be calculated numerically for a general four electrode array. The vertical and horizontal first moments can also be used as pseudopositions when plotting 1, 2 and 3D pseudosections. The appropriate horizontal plotting point for a pseudosection was not previously obvious for nonsymmetric arrays. The second moments of the sensitivity function give estimates of the spatial extent of the region contributing to an apparent resistivity measurement and hence are measures of the resolution. These also have simple mathematical formulas.

Determination of nongeometric effects: equivalence between Artmann's and Tamir's generalized methods.

PubMed

Perez, Liliana I; Echarri, Rodolfo M; Garea, María T; Santiago, Guillermo D

2011-03-01

This work shows that all first- and second-order nongeometric effects on propagation, total or partial reflection, and transmission can be understood and evaluated considering the superposition of two plane waves. It also shows that this description yields results that are qualitatively and quantitatively compatible with those obtained by Fourier analysis of beams with Gaussian intensity distribution in any type of interface. In order to show this equivalence, we start by describing the first- and second-order nongeometric effects, and we calculate them analytically by superposing two plane waves. Finally, these results are compared with those obtained for the nongeometric effects of Gaussian beams in isotropic interfaces and are applied to different types of interfaces. A simple analytical expression for the angular shift is obtained considering the transmission of an extraordinary beam in a uniaxial-isotropic interface.

Characterization of hydrothermally synthesized SnS nanoparticles for solar cell application

NASA Astrophysics Data System (ADS)

Rajwar, Birendra Kumar; Sharma, Shailendra Kumar

2018-05-01

In the present study, SnS nanoparticles were synthesized by simple hydrothermal method using stannous chloride and thiourea as tin (Sn) and sulfur (S) precursor respectively. Synthesized nanoparticles were characterized by X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy and UV-Vis Spectroscopy techniques. XRD pattern reveals that as-prepared nanoparticles exhibit orthorhombic structure. Average particles size was calculated using Scherrer's formula and found to be 23 nm. FESEM image shows that the as-prepared nanoparticles are in plate like structure. Direct optical band gap (Eg) of as-synthesized nanoparticles was calculated through UV-Vis Spectroscopy measurement and found to be 1.34 eV, which is near to optimum need for photovoltaic solar energy conversion (1.5 eV). Thus this SnS, narrowband gap semiconductor material can be applied as an alternative absorber material for solar cell application.

Spectroscopy of samarium isotopes in the sdg interacting boson model

NASA Astrophysics Data System (ADS)

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

1992-05-01

Successful spectroscopic calculations for the 0+1, 2+1, and 4+1 levels in 146-158Sm are carried out in sdg boson space with the restriction that the s-boson number ns>=2 and the g-boson number ng<=2. Observed energies, quadrupole and magnetic moments, E2 and E4 transition strengths, nuclear radii, and two-nucleon transfer intensities are reproduced with a simple two-parameter Hamiltonian. For a good simultaneous description of ground, β, and γ bands, a Hamiltonian interpolating the dynamical symmetries in the sdg model is employed. Using the resulting wave functions, in 152,154Sm, the observed B(E40+1-->4+γ) values are well reproduced and E4 strength distributions are predicted. Moreover, a particular ratio scrR involving two-nucleon transfer strengths showing a peak at neutron number 90 is well described by the calculations.

Are anharmonicity corrections needed for temperature-profile calculations of interiors of terrestrial planets

NASA Astrophysics Data System (ADS)

Anderson, O. L.

1982-07-01

The temperature profile of planetary interiors is an important item of information, because many thermodynamic or geodynamic investigations of a planet's interior require an estimate of the temperature profile. Modeling studies of the thermal history or convective processes focus in detail on the thermal profile of the planet. A description is presented of results which show how the present (or equilibrium) interior temperature profile is related to certain constraints placed on the planet, especially the physical properties of the mantle material. These properties depend upon a priori assumptions of chemical composition. The investigation is mainly concerned with experimental and theoretical data appropriate to mantle minerals, in order to justify the use of a simple equation-of-state for planet interiors. It is found that anharmonicity does not seem to be required for calculations of interior properties of the terrestrial planets.

Physics of bandgap formation in Cu-Sb-Se based novel thermoelectrics: the role of Sb valency and Cu d levels.

PubMed

Do, Dat; Ozolins, Vidvuds; Mahanti, S D; Lee, Mal-Soon; Zhang, Yongsheng; Wolverton, C

2012-10-17

In this paper we discuss the results of ab initio electronic structure calculations for Cu(3)SbSe(4) (Se4) and Cu(3)SbSe(3) (Se3), two narrow bandgap semiconductors of thermoelectric interest. We find that Sb is trivalent in both the compounds, in contrast to a simple nominal valence (ionic) picture which suggests that Sb should be 5 + in Se4. The gap formation in Se4 is quite subtle, with hybridization between Sb 5s and the neighboring Se 4s, 4p orbitals, position of Cu d states, and non-local exchange interaction, each playing significant roles. Thermopower calculations show that Se4 is a better p-type system. Our theoretical results for Se4 agree very well with recent experimental results obtained by Skoug et al (2011 Sci. Adv. Mater. 3 602).

A Simple Bimodular Nonlinear Element

NASA Astrophysics Data System (ADS)

Mikhailov, S. G.; Rudenko, O. V.

2018-05-01

We have studied the dynamics of an artificial nonlinear element representing a flexible membrane with oscillation limiters and a static pressing force. Such an element has the property of "bimodularity" and demonstrates "modular" nonlinearity. We have constructed a mathematical model that describes these oscillations. Their shapes have been calculated. We follow the analogy with a classical object—Galileo's pendulum. We demonstrate that for a low-frequency excitation of the membrane, the level of the harmonics in the spectrum is higher than in the vicinity of the resonance frequency. We have established a strong dependence of the level of the harmonics on the magnitude of the pressing force for a weak perturbation. We propose a design scheme for a device in the quasi-static approximation possessing the property of bimodularity. We perform an experiment that confirms its operability. We show a qualitative coincidence of the experimental results and calculations when detecting an amplitude-modulated signal.

The investigation of a compact auto-connected wire-wrapped pulsed transformer

NASA Astrophysics Data System (ADS)

Wang, Yuwei; Zhang, Jiande; Chen, Dongqun; Cao, Shengguang; Li, Da; Zhang, Tianyang

2012-05-01

For the power conditioning circuit used to deliver power efficiently from flux compression generator (FCG) to the load with high impedance, an air-cored and wire-wrapped transformer convenient in coaxial connection to the other parts is investigated. To reduce the size and enhance the performance, an auto-connection is adopted. A fast and simple model is used to calculate the electrical parameters of the transformer. To evaluate the high voltage capability, the voltages across turns and the electric field distribution in the transformer are investigated. The calculated and the measured electrical parameters of the transformer show good agreements. And the safe operating voltage is predicted to exceed 500 kV. In the preliminary experiments, the transformer is tested in a power conditioning circuit with a capacitive power supply. It is demonstrated that the output voltage of the transformer reaches -342 kV under the input voltage of -81 kV.

CARBON-RICH MOLECULAR CHAINS IN PROTOPLANETARY AND PLANETARY ATMOSPHERES: QUANTUM MECHANISMS AND ELECTRON ATTACHMENT RATES FOR ANION FORMATION

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

Carelli, F.; Grassi, T.; Gianturco, F. A.

The elementary mechanisms through which molecular polyynes could form stable negative ions after interacting with free electrons in planetary atmospheres (e.g., Titan's) are analyzed using quantum scattering calculations and quantum structure methods. The case of radical species and of nonpolar partners are analyzed via specific examples for both the C{sub n}H and HC{sub n}H series, with n values from 4 to 12. We show that attachment processes to polar radicals are dominating the anionic production and that the mediating role of dipolar scattering states is crucial to their formation. The corresponding attachment rates are presented as calculated upper limits tomore » their likely values and are obtained down to the low temperatures of interest. The effects of the computed rates, when used in simple evolutionary models, are also investigated and presented in detail.« less

The investigation of a compact auto-connected wire-wrapped pulsed transformer.

PubMed

Wang, Yuwei; Zhang, Jiande; Chen, Dongqun; Cao, Shengguang; Li, Da; Zhang, Tianyang

2012-05-01

For the power conditioning circuit used to deliver power efficiently from flux compression generator (FCG) to the load with high impedance, an air-cored and wire-wrapped transformer convenient in coaxial connection to the other parts is investigated. To reduce the size and enhance the performance, an auto-connection is adopted. A fast and simple model is used to calculate the electrical parameters of the transformer. To evaluate the high voltage capability, the voltages across turns and the electric field distribution in the transformer are investigated. The calculated and the measured electrical parameters of the transformer show good agreements. And the safe operating voltage is predicted to exceed 500 kV. In the preliminary experiments, the transformer is tested in a power conditioning circuit with a capacitive power supply. It is demonstrated that the output voltage of the transformer reaches -342 kV under the input voltage of -81 kV.

A new Gaussian MCTDH program: Implementation and validation on the levels of the water and glycine molecules

NASA Astrophysics Data System (ADS)

Skouteris, D.; Barone, V.

2014-06-01

We report the main features of a new general implementation of the Gaussian Multi-Configuration Time-Dependent Hartree model. The code allows effective computations of time-dependent phenomena, including calculation of vibronic spectra (in one or more electronic states), relative state populations, etc. Moreover, by expressing the Dirac-Frenkel variational principle in terms of an effective Hamiltonian, we are able to provide a new reliable estimate of the representation error. After validating the code on simple one-dimensional systems, we analyze the harmonic and anharmonic vibrational spectra of water and glycine showing that reliable and converged energy levels can be obtained with reasonable computing resources. The data obtained on water and glycine are compared with results of previous calculations using the vibrational second-order perturbation theory method. Additional features and perspectives are also shortly discussed.

Calculated and measured fields in superferric wiggler magnets

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

Blum, E.B.; Solomon, L.

1995-02-01

Although Klaus Halbach is widely known and appreciated as the originator of the computer program POISSON for electromagnetic field calculation, Klaus has always believed that analytical methods can give much more insight into the performance of a magnet than numerical simulation. Analytical approximations readily show how the different aspects of a magnet`s design such as pole dimensions, current, and coil configuration contribute to the performance. These methods yield accuracies of better than 10%. Analytical methods should therefore be used when conceptualizing a magnet design. Computer analysis can then be used for refinement. A simple model is presented for the peakmore » on-axis field of an electro-magnetic wiggler with iron poles and superconducting coils. The model is applied to the radiator section of the superconducting wiggler for the BNL Harmonic Generation Free Electron Laser. The predictions of the model are compared to the measured field and the results from POISSON.« less

Carrier-envelope phase-dependent field-free molecular orientation

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

Shu Chuancun; Yuan Kaijun; Hu Wenhui

2009-07-15

We present a strategy to achieve carrier-envelope phase-dependent field-free molecular orientation with the use of carrier-envelope phase (CEP) stabilization and asymmetric few-cycle terahertz (THz) laser pulses. The calculations are performed on the LiH molecule by an exact solution of the full time-dependent Schroedinger equation including both the vibrational and the rotational degrees of freedom. Our calculations show that an efficient field-free molecular orientation can be obtained even at considerable temperatures. Moreover, we find a simple dependence of the field-free orientation on the CEP, which implies that the CEP becomes an important parameter for control of molecular orientation. More importantly, themore » realization of this scenario is appealing based on the fact that the intense few-cycle THz pulse with duration as short as a few optical cycles is available as a research tool.« less

Generation of stimulated noncoherent radiation in light-scattering media exhibiting chemical reactions

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

Izmailov, I.A.; Kochelap, V.A.; Mel'nikov, L.Y.

1982-05-01

It is proposed that a feedback resulting from scattering be used to achieve lasing in a disperse reactive medium. The example of a simple two-level system shows that under advanced lasing conditions the quantum efficiency of the radiation emission approaches the quantum efficiency of the excitation of the upper level, and the emission spectrum becomes much narrower. Feasibility of chemical pumping of such a laser is estimated on the basis of calculations of heterophase burning of a drop of a fuel in an oxidizing atmosphere. The growth increment of light is calculated and the threshold conditions for the excitation ofmore » lasing are found. Examples are given to illustrate the feasibility of purely chemical pumping of a laser with a nonresonant feedback. It is shown that dense reactive media can be used in such lasers.« less

Feasibility of a 90° electric sector energy analyzer for low energy ion beam characterization

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

Mahinay, C. L. S., E-mail: cmahinay@nip.upd.edu.ph; Ramos, H. J.; Wada, M.

2015-02-15

A simple formula to calculate refocusing by locating the output slit at a specific distance away from the exit of 90° ion deflecting electric sector is given. Numerical analysis is also performed to calculate the ion beam trajectories for different values of the initial angular deviation of the beam. To validate the theory, a compact (90 mm × 5.5 mm × 32 mm) 90° sector ESA is fabricated which can fit through the inner diameter of a conflat 70 vacuum flange. Experimental results show that the dependence of resolution upon the distance between the sector exit and the Faraday cupmore » agrees with the theory. The fabricated 90° sector electrostatic energy analyzer was then used to measure the space resolved ion energy distribution functions of an ion beam with the energy as low as 600 eV.« less

Quantum interference on electron scattering in graphene by carbon impurities in underlying h -BN

NASA Astrophysics Data System (ADS)

Kaneko, Tomoaki; Koshino, Mikito; Saito, Riichiro

2017-03-01

Electronic structures and transport properties of graphene on h -BN with carbon impurities are investigated by first-principles calculation and the tight-binding model. We show that the coupling between the impurity level and the graphene's Dirac cone sensitively depends on the impurity position, and in particular, it nearly vanishes when the impurity is located right below the center of the six membered ring of graphene. The Bloch phase factor at the Brillouin zone edge plays a decisive role in the cancellation of the hopping integrals. The impurity position dependence on the electronic structures of graphene on h -BN is investigated by the first-principles calculation, and its qualitative feature is well explained by a tight-binding model with graphene and a single impurity site. We also propose a simple one-dimensional chain-impurity model to analytically describe the role of the quantum interference in the position-dependent coupling.

Atmospheric solar heating rate in the water vapor bands

NASA Technical Reports Server (NTRS)

Chou, Ming-Dah

1986-01-01

The total absorption of solar radiation by water vapor in clear atmospheres is parameterized as a simple function of the scaled water vapor amount. For applications to cloudy and hazy atmospheres, the flux-weighted k-distribution functions are computed for individual absorption bands and for the total near-infrared region. The parameterization is based upon monochromatic calculations and follows essentially the scaling approximation of Chou and Arking, but the effect of temperature variation with height is taken into account in order to enhance the accuracy. Furthermore, the spectral range is extended to cover the two weak bands centered at 0.72 and 0.82 micron. Comparisons with monochromatic calculations show that the atmospheric heating rate and the surface radiation can be accurately computed from the parameterization. Comparisons are also made with other parameterizations. It is found that the absorption of solar radiation can be computed reasonably well using the Goody band model and the Curtis-Godson approximation.

Exact correlators on the Wilson loop in N=4 SYM: localization, defect CFT, and integrability

NASA Astrophysics Data System (ADS)

Giombi, Simone; Komatsu, Shota

2018-05-01

We compute a set of correlation functions of operator insertions on the 1 /8 BPS Wilson loop in N=4 SYM by employing supersymmetric localization, OPE and the Gram-Schmidt orthogonalization. These correlators exhibit a simple determinant structure, are position-independent and form a topological subsector, but depend nontrivially on the 't Hooft coupling and the rank of the gauge group. When applied to the 1 /2 BPS circular (or straight) Wilson loop, our results provide an infinite family of exact defect CFT data, including the structure constants of protected defect primaries of arbitrary length inserted on the loop. At strong coupling, we show precise agreement with a direct calculation using perturbation theory around the AdS2 string worldsheet. We also explain the connection of our results to the "generalized Bremsstrahlung functions" previously computed from integrability techniques, reproducing the known results in the planar limit as well as obtaining their finite N generalization. Furthermore, we show that the correlators at large N can be recast as simple integrals of products of polynomials (known as Q-functions) that appear in the Quantum Spectral Curve approach. This suggests an interesting interplay between localization, defect CFT and integrability.

A simple calculation method for determination of equivalent square field.

PubMed

Shafiei, Seyed Ali; Hasanzadeh, Hadi; Shafiei, Seyed Ahmad

2012-04-01

Determination of the equivalent square fields for rectangular and shielded fields is of great importance in radiotherapy centers and treatment planning software. This is accomplished using standard tables and empirical formulas. The goal of this paper is to present a formula based on analysis of scatter reduction due to inverse square law to obtain equivalent field. Tables are published by different agencies such as ICRU (International Commission on Radiation Units and measurements), which are based on experimental data; but there exist mathematical formulas that yield the equivalent square field of an irregular rectangular field which are used extensively in computation techniques for dose determination. These processes lead to some complicated and time-consuming formulas for which the current study was designed. In this work, considering the portion of scattered radiation in absorbed dose at a point of measurement, a numerical formula was obtained based on which a simple formula was developed to calculate equivalent square field. Using polar coordinate and inverse square law will lead to a simple formula for calculation of equivalent field. The presented method is an analytical approach based on which one can estimate the equivalent square field of a rectangular field and may be used for a shielded field or an off-axis point. Besides, one can calculate equivalent field of rectangular field with the concept of decreased scatter radiation with inverse square law with a good approximation. This method may be useful in computing Percentage Depth Dose and Tissue-Phantom Ratio which are extensively used in treatment planning.

SU-F-J-148: A Collapsed Cone Algorithm Can Be Used for Quality Assurance for Monaco Treatment Plans for the MR-Linac

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

Hackett, S; Asselen, B van; Wolthaus, J

2016-06-15

Purpose: Treatment plans for the MR-linac, calculated in Monaco v5.19, include direct simulation of the effects of the 1.5T B{sub 0}-field. We tested the feasibility of using a collapsed-cone (CC) algorithm in Oncentra, which does not account for effects of the B{sub 0}-field, as a fast online, independent 3D check of dose calculations. Methods: Treatment plans for six patients were generated in Monaco with a 6 MV FFF beam and the B{sub 0}-field. All plans were recalculated with a CC model of the same beam. Plans for the same patients were also generated in Monaco without the B{sub 0}-field. Themore » mean dose (Dmean) and doses to 10% (D10%) and 90% (D90%) of the volume were determined, as percentages of the prescribed dose, for target volumes and OARs in each calculated dose distribution. Student’s t-tests between paired parameters from Monaco plans and corresponding CC calculations were performed. Results: Figure 1 shows an example of the difference between dose distributions calculated in Monaco, with the B{sub 0}-field, and the CC algorithm. Figure 2 shows distributions of (absolute) difference between parameters for Monaco plans, with the B{sub 0}-field, and CC calculations. The Dmean and D90% values for the CTVs and PTVs were significantly different, but differences in dose distributions arose predominantly at the edges of the target volumes. Inclusion of the B{sub 0}-field had little effect on agreement of the Dmean values, as illustrated by Figure 3, nor on agreement of the D10% and D90% values. Conclusion: Dose distributions recalculated with a CC algorithm show good agreement with those calculated with Monaco, for plans both with and without the B{sub 0}-field, indicating that the CC algorithm could be used to check online treatment planning for the MRlinac. Agreement for a wider range of treatment sites, and the feasibility of using the γ-test as a simple pass/fail criterion, will be investigated.« less

Comments on the variational modified-hypernetted-chain theory for simple fluids

NASA Astrophysics Data System (ADS)

Rosenfeld, Yaakov

1986-02-01

The variational modified-hypernetted-chain (VMHNC) theory, based on the approximation of universality of the bridge functions, is reformulated. The new formulation includes recent calculations by Lado and by Lado, Foiles, and Ashcroft, as two stages in a systematic approach which is analyzed. A variational iterative procedure for solving the exact (diagrammatic) equations for the fluid structure which is formally identical to the VMHNC is described, featuring the theory of simple classical fluids as a one-iteration theory. An accurate method for calculating the pair structure for a given potential and for inverting structure factor data in order to obtain the potential and the thermodynamic functions, follows from our analysis.

A Very Simple Method to Calculate the (Positive) Largest Lyapunov Exponent Using Interval Extensions

NASA Astrophysics Data System (ADS)

Mendes, Eduardo M. A. M.; Nepomuceno, Erivelton G.

2016-12-01

In this letter, a very simple method to calculate the positive Largest Lyapunov Exponent (LLE) based on the concept of interval extensions and using the original equations of motion is presented. The exponent is estimated from the slope of the line derived from the lower bound error when considering two interval extensions of the original system. It is shown that the algorithm is robust, fast and easy to implement and can be considered as alternative to other algorithms available in the literature. The method has been successfully tested in five well-known systems: Logistic, Hénon, Lorenz and Rössler equations and the Mackey-Glass system.

Ground temperature measurement by PRT-5 for maps experiment

NASA Technical Reports Server (NTRS)

Gupta, S. K.; Tiwari, S. N.

1978-01-01

A simple algorithm and computer program were developed for determining the actual surface temperature from the effective brightness temperature as measured remotely by a radiation thermometer called PRT-5. This procedure allows the computation of atmospheric correction to the effective brightness temperature without performing detailed radiative transfer calculations. Model radiative transfer calculations were performed to compute atmospheric corrections for several values of the surface and atmospheric parameters individually and in combination. Polynomial regressions were performed between the magnitudes or deviations of these parameters and the corresponding computed corrections to establish simple analytical relations between them. Analytical relations were also developed to represent combined correction for simultaneous variation of parameters in terms of their individual corrections.

Demonstrating Principles of Spectrophotometry by Constructing a Simple, Low-Cost, Functional Spectrophotometer Utilizing the Light Sensor on a Smartphone

ERIC Educational Resources Information Center

Hosker, Bill S.

2018-01-01

A highly simplified variation on the do-it-yourself spectrophotometer using a smartphone's light sensor as a detector and an app to calculate and display absorbance values was constructed and tested. This simple version requires no need for electronic components or postmeasurement spectral analysis. Calibration graphs constructed from two…

A simple reaction-rate model for turbulent diffusion flames

NASA Technical Reports Server (NTRS)

Bangert, L. H.

1975-01-01

A simple reaction rate model is proposed for turbulent diffusion flames in which the reaction rate is proportional to the turbulence mixing rate. The reaction rate is also dependent on the mean mass fraction and the mean square fluctuation of mass fraction of each reactant. Calculations are compared with experimental data and are generally successful in predicting the measured quantities.

A Simple Method for Nucleon-Nucleon Cross Sections in a Nucleus

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Cucinotta, Francis A.; Wilson, John W.

1999-01-01

A simple reliable formalism is presented for obtaining nucleon-nucleon cross sections within a nucleus in nuclear collisions for a given projectile and target nucleus combination at a given energy for use in transport, Monte Carlo, and other calculations. The method relies on extraction of these values from experiments and has been tested and found to give excellent results.

Exploring Alternative Conceptions from Newtonian Dynamics and Simple DC Circuits: Links between Item Difficulty and Item Confidence

ERIC Educational Resources Information Center

Planinic, Maja; Boone, William J.; Krsnik, Rudolf; Beilfuss, Meredith L.

2006-01-01

Croatian 1st-year and 3rd-year high-school students (N = 170) completed a conceptual physics test. Students were evaluated with regard to two physics topics: Newtonian dynamics and simple DC circuits. Students answered test items and also indicated their confidence in each answer. Rasch analysis facilitated the calculation of three linear…

Burden Calculator: a simple and open analytical tool for estimating the population burden of injuries.

PubMed

Bhalla, Kavi; Harrison, James E

2016-04-01

Burden of disease and injury methods can be used to summarise and compare the effects of conditions in terms of disability-adjusted life years (DALYs). Burden estimation methods are not inherently complex. However, as commonly implemented, the methods include complex modelling and estimation. To provide a simple and open-source software tool that allows estimation of incidence-DALYs due to injury, given data on incidence of deaths and non-fatal injuries. The tool includes a default set of estimation parameters, which can be replaced by users. The tool was written in Microsoft Excel. All calculations and values can be seen and altered by users. The parameter sets currently used in the tool are based on published sources. The tool is available without charge online at http://calculator.globalburdenofinjuries.org. To use the tool with the supplied parameter sets, users need to only paste a table of population and injury case data organised by age, sex and external cause of injury into a specified location in the tool. Estimated DALYs can be read or copied from tables and figures in another part of the tool. In some contexts, a simple and user-modifiable burden calculator may be preferable to undertaking a more complex study to estimate the burden of disease. The tool and the parameter sets required for its use can be improved by user innovation, by studies comparing DALYs estimates calculated in this way and in other ways, and by shared experience of its use. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Investigation of sequential properties of snoring episodes for obstructive sleep apnoea identification.

PubMed

Cavusoglu, M; Ciloglu, T; Serinagaoglu, Y; Kamasak, M; Erogul, O; Akcam, T

2008-08-01

In this paper, 'snore regularity' is studied in terms of the variations of snoring sound episode durations, separations and average powers in simple snorers and in obstructive sleep apnoea (OSA) patients. The goal was to explore the possibility of distinguishing among simple snorers and OSA patients using only sleep sound recordings of individuals and to ultimately eliminate the need for spending a whole night in the clinic for polysomnographic recording. Sequences that contain snoring episode durations (SED), snoring episode separations (SES) and average snoring episode powers (SEP) were constructed from snoring sound recordings of 30 individuals (18 simple snorers and 12 OSA patients) who were also under polysomnographic recording in Gülhane Military Medical Academy Sleep Studies Laboratory (GMMA-SSL), Ankara, Turkey. Snore regularity is quantified in terms of mean, standard deviation and coefficient of variation values for the SED, SES and SEP sequences. In all three of these sequences, OSA patients' data displayed a higher variation than those of simple snorers. To exclude the effects of slow variations in the base-line of these sequences, new sequences that contain the coefficient of variation of the sample values in a 'short' signal frame, i.e., short time coefficient of variation (STCV) sequences, were defined. The mean, the standard deviation and the coefficient of variation values calculated from the STCV sequences displayed a stronger potential to distinguish among simple snorers and OSA patients than those obtained from the SED, SES and SEP sequences themselves. Spider charts were used to jointly visualize the three parameters, i.e., the mean, the standard deviation and the coefficient of variation values of the SED, SES and SEP sequences, and the corresponding STCV sequences as two-dimensional plots. Our observations showed that the statistical parameters obtained from the SED and SES sequences, and the corresponding STCV sequences, possessed a strong potential to distinguish among simple snorers and OSA patients, both marginally, i.e., when the parameters are examined individually, and jointly. The parameters obtained from the SEP sequences and the corresponding STCV sequences, on the other hand, did not have a strong discrimination capability. However, the joint behaviour of these parameters showed some potential to distinguish among simple snorers and OSA patients.

A simple sample preparation for simultaneous determination of chloramphenicol and its succinate esters in food products using high-performance liquid chromatography/high-resolution mass spectrometry.

PubMed

Amelin, Vasiliy; Korotkov, Anton

2017-02-01

A simple method is described for the determination of chloramphenicol and its succinate esters in food products. Examination of food products using high-performance liquid chromatography/high-resolution mass spectrometry showed the presence not only of chloramphenicol but also of its succinate forms. A scheme is proposed for determining chloramphenicol and its succinate esters (calculated as chloramphenicol) in meat (beef, pork, poultry), milk, liver, kidney, eggs, fish and honey. Analytes are extracted from a 1.0 g sample with 5 ml acetonitrile. It was found that using the method of standard addition and diluting the extract with water leads to the elimination of matrix effects and also eliminates errors associated with peak splitting due to the separate elution of the differing forms of the analyte. Validation results were satisfactory, with recoveries from 85% to 111% (meat, milk, liver, kidney, eggs, fish and honey) and a relative standard deviation (RSD) lower than 13% for spiked levels of 0.3, 1.0 and 5 µg kg - 1 . The limits of detection and quantification (calculated as chloramphenicol for all forms) were 0.1 and 0.3 µg kg - 1 , respectively. The RSD of the results of the analysis was < 10%. The duration of the analysis was less than 1 h.

A simple quinolone Schiff-base containing CHEF based fluorescence 'turn-on' chemosensor for distinguishing Zn2+ and Hg2+ with high sensitivity, selectivity and reversibility.

PubMed

Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Wang, Ping; Yang, Yulin

2017-05-23

A new simple 'dual' chemosensor MQA ((E)-2-methoxy-N-((quinolin-2-yl)methylene)aniline) for distinguishing Zn 2+ and Hg 2+ has been designed, synthesized and characterized. The sensor showed excellent selectivity and sensitivity with a fluorescence enhancement to Zn 2+ /Hg 2+ over other commonly coexisting cations (such as Na + , Mg 2+ , Al 3+ , K + , Mn 2+ , Fe 2+ , Fe 3+ , Co 2+ , Ni 2+ , Cu 2+ , Ga 3+ , Cd 2+ , In 3+ and Pb 2+ ) in DMSO-H 2 O solution (1/99 v/v), which was reversible with the addition of ethylenediaminetetraacetic acid (EDTA). The detection limit for Zn 2+ /Hg 2+ by MQA both reached the 10 -8 M level. The 1 : 1 ligand-to-metal coordination patterns of the MQA-Zn2+ and MQA-Hg2+ were calculated through a Job's plot and ESI-MS spectra, and were further confirmed by X-ray crystal structures of complexes MQA-Zn2+ and MQA-Hg2+. This chemosensor can recognize similar metal ions by coherently utilizing intramolecular charge transfer (ICT) and different electronic affinities of various metal ions. DFT calculations have revealed that the energy gap between the HOMO and LUMO of MQA has decreased upon coordination with Zn(ii)/Hg(ii).

Determination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations

NASA Astrophysics Data System (ADS)

McConnell, J. D. C.; De Vita, A.; Kenny, S. D.; Heine, V.

Ab initio total energy calculations based on a new optimised oxygen pseudopotential has been used to determine the enthalpy of disorder for the exchange of Al and Si in tetrahedral coordination in simple derivative aluminosilicate structures based on the high temperature tridymite structure. The problem has been studied as a function of defect interaction, and defect concentration, and the results indicate that the energy for Al/Al neighbouring tetrahedra can be assigned primarily to two effects, the first, a coulombic effect, associated with the disturbed charge distribution, and the second associated with the strain related to misfit due to the very different dimensions of the Si and Al containing tetrahedra. In practice each of these effects contributes approximately 0.2 eV per Al-Al neighbour to the overal disorder enthalpy. These simple results were obtained after a careful study of possible chemical interaction between adjacent Al/Si containing tetrahedra which showed that chemical interaction was effectively absent. Since individual Al/Si tetrahedra proved to be discrete entities that are individually heavily screened by the shared oxygens it follows that coulombic and strain effects in disorder effectively account for the whole of the disorder enthalpy. The complete set of results have been used to establish new criteria for the structure and disorder enthalpies of the feldspar group of minerals and their long period derivatives.

An extended source for CN jets in Comet P/Halley

NASA Technical Reports Server (NTRS)

Klavetter, James Jay; A'Hearn, Michael F.

1994-01-01

We examined radial intensity profiles of CN jets in comparison with the diffuse, isotropic component of the CN coma of Comet P/Halley. All images were bias-subtracted, flat-fielded, and continuum-subtracted. We calculated the diffuse profiles by finding the azimuthal mean of the coma least contaminated by jets yielding profiles similar to those of vectorial and Haser models of simple photodissociation. We found the jet profiles by calculating a mean around a Gaussian-fitted center in r-theta space. There is an unmistakable difference between the profiles of the CN jets and the profiles of the diffuse CN. Spatial derivatives of these profiles, corrected for geometrical expansion, show that the diffuse component is consistent with a simple photodissociation process, but the jet component is not. The peak production of the jet profile occurs 6000 km from the nucleus at a heliocentric distance of 1.4 AU. Modeling of both components of the coma indicate results that are consistent with the diffuse CN photochemically produced, but the CN jets need an additional extended source. We found that about one-half of the CN in the coma of Comet P/Halley originated from the jets, the rest from the diffuse component. These features, along with the width of the jet being approximately constant, are consistent with a CHON grain origin for the jets.

CFD Analysis for Assessing the Effect of Wind on the Thermal Control of the Mars Science Laboratory Curiosity Rover

NASA Technical Reports Server (NTRS)

Bhandari, Pradeep; Anderson, Kevin

2013-01-01

The challenging range of landing sites for which the Mars Science Laboratory Rover was designed, requires a rover thermal management system that is capable of keeping temperatures controlled across a wide variety of environmental conditions. On the Martian surface where temperatures can be as cold as -123 C and as warm as 38 C, the rover relies upon a Mechanically Pumped Fluid Loop (MPFL) Rover Heat Rejection System (RHRS) and external radiators to maintain the temperature of sensitive electronics and science instruments within a -40 C to 50 C range. The RHRS harnesses some of the waste heat generated from the rover power source, known as the Multi Mission Radioisotope Thermoelectric Generator (MMRTG), for use as survival heat for the rover during cold conditions. The MMRTG produces 110 W of electrical power while generating waste heat equivalent to approximately 2000 W. Heat exchanger plates (hot plates) positioned close to the MMRTG pick up this survival heat from it by radiative heat transfer. Winds on Mars can be as fast as 15 m/s for extended periods. They can lead to significant heat loss from the MMRTG and the hot plates due to convective heat pick up from these surfaces. Estimation of this convective heat loss cannot be accurately and adequately achieved by simple textbook based calculations because of the very complicated flow fields around these surfaces, which are a function of wind direction and speed. Accurate calculations necessitated the employment of sophisticated Computational Fluid Dynamics (CFD) computer codes. This paper describes the methodology and results of these CFD calculations. Additionally, these results are compared to simple textbook based calculations that served as benchmarks and sanity checks for them. And finally, the overall RHRS system performance predictions will be shared to show how these results affected the overall rover thermal performance.

Microscale models of partially molten rocks and their macroscale physical properties

NASA Astrophysics Data System (ADS)

Rudge, J. F.

2017-12-01

Any geodynamical model of melt transport in the Earth's mantle requires constitutive laws for the rheology of partially molten rock. These constitutive laws are poorly known, and one way to make progress in our understanding is through the upscaling of microscale models which describe physics at the scale of individual mineral grains. Crucially, many upscaled physical properties (such as permeability) depend not only on how much melt is present, but on how that melt is arranged at the microscale; i.e. on the geometry of the melt network. Here I will present some new calculations of equilibrium melt network geometries around idealised tetrakaidecahedral grains. In contrast to several previous calculations of textural equilibrium, these calculations allow for a both a liquid-phase and a solid-phase topology that can tile 3D space. The calculations are based on a simple minimisation of surface energy using the finite element method. In these simple models just two parameters control the topology of the melt network: the porosity (volume fraction of melt), and the dihedral angle. The consquences of these melt geometries for upscaled properties such as permeability; electrical conductivity; and importantly, effective viscosity will be explored. Recent theoretical work [1,2] has suggested that in diffusion creep a small amount of melt may dramatically reduce the effective shear viscosity of a partially molten rock, with profound consequences for the nature of the asthenosphere. This contribution will show that this reduction in viscosity may have been significantly overestimated, so that the drop in the effective viscosity at onset of melting is more modest. [1] Takei, Y., and B. K. Holtzman (2009), Viscous constitutive relations of solid-liquid composites in terms of grain boundary contiguity: 1. Grain boundary diffusion control model, J. Geophys. Res., 114, B06205.[2] Holtzmann B. K. (2016) Questions on the existence, persistence, and mechanical effects of a very small melt fraction in the asthenosphere, Geophys. Geochem. Geosyst. 17, 470-484.

Remote Evaluation of Rotational Velocity Using a Quadrant Photo-Detector and a DSC Algorithm

PubMed Central

Zeng, Xiangkai; Zhu, Zhixiong; Chen, Yang

2016-01-01

This paper presents an approach to remotely evaluate the rotational velocity of a measured object by using a quadrant photo-detector and a differential subtraction correlation (DSC) algorithm. The rotational velocity of a rotating object is determined by two temporal-delay numbers at the minima of two DSCs that are derived from the four output signals of the quadrant photo-detector, and the sign of the calculated rotational velocity directly represents the rotational direction. The DSC algorithm does not require any multiplication operations. Experimental calculations were performed to confirm the proposed evaluation method. The calculated rotational velocity, including its amplitude and direction, showed good agreement with the given one, which had an amplitude error of ~0.3%, and had over 1100 times the efficiency of the traditional cross-correlation method in the case of data number N > 4800. The confirmations have shown that the remote evaluation of rotational velocity can be done without any circular division disk, and that it has much fewer error sources, making it simple, accurate and effective for remotely evaluating rotational velocity. PMID:27120607

Infrared backscattering

NASA Technical Reports Server (NTRS)

Bohren, Craig F.; Nevitt, Timothy J.; Singham, Shermila Brito

1989-01-01

All particles in the atmosphere are not spherical. Moreover, the scattering properties of randomly oriented nonspherical particles are not equivalent to those of spherical particles no matter how the term equivalent is defined. This is especially true for scattering in the backward direction and at the infrared wavelengths at which some atmospheric particles have strong absorption bands. Thus calculations based on Mie theory of infrared backscattering by dry or insoluble atmospheric particles are suspect. To support this assertion, it was noted that peaks in laboratory-measured infrared backscattering spectra show appreciable shifts compared with those calculated using Mie theory. One example is ammonium sulfate. Some success was had in modeling backscattering spectra of ammonium sulfate particles using a simple statistical theory called the continuous distribution of ellipsoids (CDE) theory. In this theory, the scattering properties of an ensemble are calculated. Recently a modified version of this theory was applied to measured spectra of scattering by kaolin particles. The particles were platelike, so the probability distribution of ellipsoidal shapes was chosen to reflect this. As with ammonium sulfate, the wavelength of measured peak backscattering is shifted longward of that predicted by Mie theory.

Applicability of ASHRAE clear-sky model based on solar-radiation measurements in Saudi Arabia

NASA Astrophysics Data System (ADS)

Abouhashish, Mohamed

2017-06-01

The constants of the ASHRAE clear sky model predict high values of the hourly beam radiation and very low values of the hourly diffuse radiation when used for locations in Saudi Arabia. Eight measurement stations in different locations are used to obtain new clearness factors for the model. The procedure depends on the comparison of monthly direct normal radiation (DNI) and diffuse horizontal radiation (DHI) between the measurement and the calculated values. Two factors are obtained CNb, CNd for every month to adjust the calculated clear sky radiation in order to consider the effects of local weather conditions. A simple and practical simulation model for solar geometry is designed using Microsoft Visual Basic platform, the model simulates the solar angles and radiation components according to ASHRAE model. The comparison of the calculated data with the first year of measurements indicate that the attenuation of site clearness is variable across the locations and from month to month, showing the clearest skies in the north and northwestern parts of the Kingdom especially during summer months.

Process Modelling of Curing Process-Induced Internal Stress and Deformation of Composite Laminate Structure with Elastic and Viscoelastic Models

NASA Astrophysics Data System (ADS)

Li, Dongna; Li, Xudong; Dai, Jianfeng

2018-06-01

In this paper, two kinds of transient models, the viscoelastic model and the linear elastic model, are established to analyze the curing deformation of the thermosetting resin composites, and are calculated by COMSOL Multiphysics software. The two models consider the complicated coupling between physical and chemical changes during curing process of the composites and the time-variant characteristic of material performance parameters. Subsequently, the two proposed models are implemented respectively in a three-dimensional composite laminate structure, and a simple and convenient method of local coordinate system is used to calculate the development of residual stresses, curing shrinkage and curing deformation for the composite laminate. Researches show that the temperature, degree of curing (DOC) and residual stresses during curing process are consistent with the study in literature, so the curing shrinkage and curing deformation obtained on these basis have a certain referential value. Compared the differences between the two numerical results, it indicates that the residual stress and deformation calculated by the viscoelastic model are more close to the reference value than the linear elastic model.

Distribution of nuclei in equilibrium stellar matter from the free-energy density in a Wigner-Seitz cell

NASA Astrophysics Data System (ADS)

Grams, G.; Giraud, S.; Fantina, A. F.; Gulminelli, F.

2018-03-01

The aim of the present study is to calculate the nuclear distribution associated at finite temperature to any given equation of state of stellar matter based on the Wigner-Seitz approximation, for direct applications in core-collapse simulations. The Gibbs free energy of the different configurations is explicitly calculated, with special care devoted to the calculation of rearrangement terms, ensuring thermodynamic consistency. The formalism is illustrated with two different applications. First, we work out the nuclear statistical equilibrium cluster distribution for the Lattimer and Swesty equation of state, widely employed in supernova simulations. Secondly, we explore the effect of including shell structure, and consider realistic nuclear mass tables from the Brussels-Montreal Hartree-Fock-Bogoliubov model (specifically, HFB-24). We show that the whole collapse trajectory is dominated by magic nuclei, with extremely spread and even bimodal distributions of the cluster probability around magic numbers, demonstrating the importance of cluster distributions with realistic mass models in core-collapse simulations. Simple analytical expressions are given, allowing further applications of the method to any relativistic or nonrelativistic subsaturation equation of state.

Characteristics of poly- and mono-crystalline BeO and SiO2 as thermal and cold neutron filters

NASA Astrophysics Data System (ADS)

Adib, M.; Habib, N.; Bashter, I. I.; Morcos, H. N.; El-Mesiry, M. S.; Mansy, M. S.

2015-09-01

A simple model along with a computer code "HEXA-FILTERS" is used to carry out the calculation of the total cross-sections of BeO and SiO2 having poly or mono-crystalline form as a function of neutron wavelength at room (R.T.) and liquid nitrogen (L.N.) temperatures. An overall agreement is indicated between the calculated neutron cross-sections and experimental data. Calculation shows that 25 cm thick of polycrystalline BeO cooled at liquid nitrogen temperature was found to be a good filter for neutron wavelengths longer than 0.46 nm. While, 50 cm of SiO2, with much less transmission, for neutrons with wavelengths longer than 0.85 nm. It was also found that 10 cm of BeO and 15 cm SiO2 thick mono-crystals cut along their (0 0 2) plane, with 0.5° FWHM on mosaic spread and cooled at L.N., are a good thermal neutron filter, with high effect-to-noise ratio.

A PORTRAIT OF COLD GAS IN GALAXIES AT 60 pc RESOLUTION AND A SIMPLE METHOD TO TEST HYPOTHESES THAT LINK SMALL-SCALE ISM STRUCTURE TO GALAXY-SCALE PROCESSES

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

Leroy, Adam K.; Hughes, Annie; Schruba, Andreas

2016-11-01

The cloud-scale density, velocity dispersion, and gravitational boundedness of the interstellar medium (ISM) vary within and among galaxies. In turbulent models, these properties play key roles in the ability of gas to form stars. New high-fidelity, high-resolution surveys offer the prospect to measure these quantities across galaxies. We present a simple approach to make such measurements and to test hypotheses that link small-scale gas structure to star formation and galactic environment. Our calculations capture the key physics of the Larson scaling relations, and we show good correspondence between our approach and a traditional “cloud properties” treatment. However, we argue thatmore » our method is preferable in many cases because of its simple, reproducible characterization of all emission. Using, low- J {sup 12}CO data from recent surveys, we characterize the molecular ISM at 60 pc resolution in the Antennae, the Large Magellanic Cloud (LMC), M31, M33, M51, and M74. We report the distributions of surface density, velocity dispersion, and gravitational boundedness at 60 pc scales and show galaxy-to-galaxy and intragalaxy variations in each. The distribution of flux as a function of surface density appears roughly lognormal with a 1 σ width of ∼0.3 dex, though the center of this distribution varies from galaxy to galaxy. The 60 pc resolution line width and molecular gas surface density correlate well, which is a fundamental behavior expected for virialized or free-falling gas. Varying the measurement scale for the LMC and M31, we show that the molecular ISM has higher surface densities, lower line widths, and more self-gravity at smaller scales.« less

Estimates of effective elastic thickness of oceanic lithosphere using model including surface and subsurface loads and effective elastic thickness of subduction zones

NASA Astrophysics Data System (ADS)

Yang, A.; Yongtao, F.

2016-12-01

The effective elastic thickness (Te) is an important parameter that characterizes the long term strength of the lithosphere, which has great significance on understanding the mechanical properties and evolution of the lithosphere. In contrast with many controversies regarding elastic thickness of continent lithosphere, the Te of oceanic lithosphere is thought to be in a simple way that is dependent on the age of the plate. However, rescent studies show that there is no simple relationship between Te and age at time of loading for both seamounts and subduction zones. As subsurface loading is very importand and has large influence in the estimate of Te for continent lithosphere, and many oceanic features such as subduction zones also have considerable subsurface loading. We introduce the method to estimate the effective elastic thickness of oceanic lithosphere using model including surface and subsurface loads by using free-air gravity anomaly and bathymetric data, together with a moving window admittance technique (MWAT). We use the multitaper spectral estimation method to calculate the power spectral density. Through tests with synthetic subduction zone like bathymetry and gravity data show that the Te can be recovered in an accurance similar to that in the continent and there is also a trade-off between spatial resolution and variance for different window sizes. We estimate Te of many subduction zones (Peru-Chile trench, Middle America trench, Caribbean trench, Kuril-Japan trench, Mariana trench, Tonga trench, Java trench, Ryukyu-Philippine trench) with an age range of 0-160 Myr to reassess the relationship between elastic thickness and the age of the lithosphere at the time of loading. The results do not show a simple relationship between Te and age.

On the statistical significance of excess events: Remarks of caution and the need for a standard method of calculation

NASA Technical Reports Server (NTRS)

Staubert, R.

1985-01-01

Methods for calculating the statistical significance of excess events and the interpretation of the formally derived values are discussed. It is argued that a simple formula for a conservative estimate should generally be used in order to provide a common understanding of quoted values.

Bond-Energy and Surface-Energy Calculations in Metals

ERIC Educational Resources Information Center

Eberhart, James G.; Horner, Steve

2010-01-01

A simple technique appropriate for introductory materials science courses is outlined for the calculation of bond energies in metals from lattice energies. The approach is applied to body-centered cubic (bcc), face-centered cubic (fcc), and hexagonal-closest-packed (hcp) metals. The strength of these bonds is tabulated for a variety metals and is…

39 CFR 3010.21 - Calculation of annual limitation.

Code of Federal Regulations, 2011 CFR

2011-07-01

... notice of rate adjustment and dividing the sum by 12 (Recent Average). Then, a second simple average CPI... Recent Average and dividing the sum by 12 (Base Average). Finally, the annual limitation is calculated by dividing the Recent Average by the Base Average and subtracting 1 from the quotient. The result is...

39 CFR 3010.21 - Calculation of annual limitation.

Code of Federal Regulations, 2013 CFR

2013-07-01

... notice of rate adjustment and dividing the sum by 12 (Recent Average). Then, a second simple average CPI... Recent Average and dividing the sum by 12 (Base Average). Finally, the annual limitation is calculated by dividing the Recent Average by the Base Average and subtracting 1 from the quotient. The result is...

39 CFR 3010.21 - Calculation of annual limitation.

Code of Federal Regulations, 2012 CFR

2012-07-01

... notice of rate adjustment and dividing the sum by 12 (Recent Average). Then, a second simple average CPI... Recent Average and dividing the sum by 12 (Base Average). Finally, the annual limitation is calculated by dividing the Recent Average by the Base Average and subtracting 1 from the quotient. The result is...

Harmonics analysis of the ITER poloidal field converter based on a piecewise method

NASA Astrophysics Data System (ADS)

Xudong, WANG; Liuwei, XU; Peng, FU; Ji, LI; Yanan, WU

2017-12-01

Poloidal field (PF) converters provide controlled DC voltage and current to PF coils. The many harmonics generated by the PF converter flow into the power grid and seriously affect power systems and electric equipment. Due to the complexity of the system, the traditional integral operation in Fourier analysis is complicated and inaccurate. This paper presents a piecewise method to calculate the harmonics of the ITER PF converter. The relationship between the grid input current and the DC output current of the ITER PF converter is deduced. The grid current is decomposed into the sum of some simple functions. By calculating simple function harmonics based on the piecewise method, the harmonics of the PF converter under different operation modes are obtained. In order to examine the validity of the method, a simulation model is established based on Matlab/Simulink and a relevant experiment is implemented in the ITER PF integration test platform. Comparative results are given. The calculated results are found to be consistent with simulation and experiment. The piecewise method is proved correct and valid for calculating the system harmonics.

Sample size considerations for clinical research studies in nuclear cardiology.

PubMed

Chiuzan, Cody; West, Erin A; Duong, Jimmy; Cheung, Ken Y K; Einstein, Andrew J

2015-12-01

Sample size calculation is an important element of research design that investigators need to consider in the planning stage of the study. Funding agencies and research review panels request a power analysis, for example, to determine the minimum number of subjects needed for an experiment to be informative. Calculating the right sample size is crucial to gaining accurate information and ensures that research resources are used efficiently and ethically. The simple question "How many subjects do I need?" does not always have a simple answer. Before calculating the sample size requirements, a researcher must address several aspects, such as purpose of the research (descriptive or comparative), type of samples (one or more groups), and data being collected (continuous or categorical). In this article, we describe some of the most frequent methods for calculating the sample size with examples from nuclear cardiology research, including for t tests, analysis of variance (ANOVA), non-parametric tests, correlation, Chi-squared tests, and survival analysis. For the ease of implementation, several examples are also illustrated via user-friendly free statistical software.

Infinitely Dilute Partial Molar Properties of Proteins from Computer Simulation

PubMed Central

2015-01-01

A detailed understanding of temperature and pressure effects on an infinitely dilute protein’s conformational equilibrium requires knowledge of the corresponding infinitely dilute partial molar properties. Established molecular dynamics methodologies generally have not provided a way to calculate these properties without either a loss of thermodynamic rigor, the introduction of nonunique parameters, or a loss of information about which solute conformations specifically contributed to the output values. Here we implement a simple method that is thermodynamically rigorous and possesses none of the above disadvantages, and we report on the method’s feasibility and computational demands. We calculate infinitely dilute partial molar properties for two proteins and attempt to distinguish the thermodynamic differences between a native and a denatured conformation of a designed miniprotein. We conclude that simple ensemble average properties can be calculated with very reasonable amounts of computational power. In contrast, properties corresponding to fluctuating quantities are computationally demanding to calculate precisely, although they can be obtained more easily by following the temperature and/or pressure dependence of the corresponding ensemble averages. PMID:25325571

An approximate methods approach to probabilistic structural analysis

NASA Technical Reports Server (NTRS)

Mcclung, R. C.; Millwater, H. R.; Wu, Y.-T.; Thacker, B. H.; Burnside, O. H.

1989-01-01

A major research and technology program in Probabilistic Structural Analysis Methods (PSAM) is currently being sponsored by the NASA Lewis Research Center with Southwest Research Institute as the prime contractor. This program is motivated by the need to accurately predict structural response in an environment where the loadings, the material properties, and even the structure may be considered random. The heart of PSAM is a software package which combines advanced structural analysis codes with a fast probability integration (FPI) algorithm for the efficient calculation of stochastic structural response. The basic idea of PAAM is simple: make an approximate calculation of system response, including calculation of the associated probabilities, with minimal computation time and cost, based on a simplified representation of the geometry, loads, and material. The deterministic solution resulting should give a reasonable and realistic description of performance-limiting system responses, although some error will be inevitable. If the simple model has correctly captured the basic mechanics of the system, however, including the proper functional dependence of stress, frequency, etc. on design parameters, then the response sensitivities calculated may be of significantly higher accuracy.

Photon migration in non-scattering tissue and the effects on image reconstruction

NASA Astrophysics Data System (ADS)

Dehghani, H.; Delpy, D. T.; Arridge, S. R.

1999-12-01

Photon propagation in tissue can be calculated using the relationship described by the transport equation. For scattering tissue this relationship is often simplified and expressed in terms of the diffusion approximation. This approximation, however, is not valid for non-scattering regions, for example cerebrospinal fluid (CSF) below the skull. This study looks at the effects of a thin clear layer in a simple model representing the head and examines its effect on image reconstruction. Specifically, boundary photon intensities (total number of photons exiting at a point on the boundary due to a source input at another point on the boundary) are calculated using the transport equation and compared with data calculated using the diffusion approximation for both non-scattering and scattering regions. The effect of non-scattering regions on the calculated boundary photon intensities is presented together with the advantages and restrictions of the transport code used. Reconstructed images are then presented where the forward problem is solved using the transport equation for a simple two-dimensional system containing a non-scattering ring and the inverse problem is solved using the diffusion approximation to the transport equation.

Dynamics of glide avalanches and snow gliding

NASA Astrophysics Data System (ADS)

Ancey, Christophe; Bain, Vincent

2015-09-01

In recent years, due to warmer snow cover, there has been a significant increase in the number of cases of damage caused by gliding snowpacks and glide avalanches. On most occasions, these have been full-depth, wet-snow avalanches, and this led some people to express their surprise: how could low-speed masses of wet snow exert sufficiently high levels of pressure to severely damage engineered structures designed to carry heavy loads? This paper reviews the current state of knowledge about the formation of glide avalanches and the forces exerted on simple structures by a gliding mass of snow. One particular difficulty in reviewing the existing literature on gliding snow and on force calculations is that much of the theoretical and phenomenological analyses were presented in technical reports that date back to the earliest developments of avalanche science in the 1930s. Returning to these primary sources and attempting to put them into a contemporary perspective are vital. A detailed, modern analysis of them shows that the order of magnitude of the forces exerted by gliding snow can indeed be estimated correctly. The precise physical mechanisms remain elusive, however. We comment on the existing approaches in light of the most recent findings about related topics, including the physics of granular and plastic flows, and from field surveys of snow and avalanches (as well as glaciers and debris flows). Methods of calculating the forces exerted by glide avalanches are compared quantitatively on the basis of two case studies. This paper shows that if snow depth and density are known, then certain approaches can indeed predict the forces exerted on simple obstacles in the event of glide avalanches or gliding snow cover.

A simple approach to power and sample size calculations in logistic regression and Cox regression models.

PubMed

Vaeth, Michael; Skovlund, Eva

2004-06-15

For a given regression problem it is possible to identify a suitably defined equivalent two-sample problem such that the power or sample size obtained for the two-sample problem also applies to the regression problem. For a standard linear regression model the equivalent two-sample problem is easily identified, but for generalized linear models and for Cox regression models the situation is more complicated. An approximately equivalent two-sample problem may, however, also be identified here. In particular, we show that for logistic regression and Cox regression models the equivalent two-sample problem is obtained by selecting two equally sized samples for which the parameters differ by a value equal to the slope times twice the standard deviation of the independent variable and further requiring that the overall expected number of events is unchanged. In a simulation study we examine the validity of this approach to power calculations in logistic regression and Cox regression models. Several different covariate distributions are considered for selected values of the overall response probability and a range of alternatives. For the Cox regression model we consider both constant and non-constant hazard rates. The results show that in general the approach is remarkably accurate even in relatively small samples. Some discrepancies are, however, found in small samples with few events and a highly skewed covariate distribution. Comparison with results based on alternative methods for logistic regression models with a single continuous covariate indicates that the proposed method is at least as good as its competitors. The method is easy to implement and therefore provides a simple way to extend the range of problems that can be covered by the usual formulas for power and sample size determination. Copyright 2004 John Wiley & Sons, Ltd.

Right parietal cortex and calculation processing: intraoperative functional mapping of multiplication and addition in patients affected by a brain tumor.

PubMed

Della Puppa, Alessandro; De Pellegrin, Serena; d'Avella, Elena; Gioffrè, Giorgio; Munari, Marina; Saladini, Marina; Salillas, Elena; Scienza, Renato; Semenza, Carlo

2013-11-01

The role of parietal areas in number processing is well known. The significance of intraoperative functional mapping of these areas has been only partially explored, however, and only a few discordant data are available in the surgical literature with regard to the right parietal lobe. The purpose of this study was to evaluate the clinical impact of simple calculation in cortical electrostimulation of right-handed patients affected by a right parietal brain tumor. Calculation mapping in awake surgery was performed in 3 right-handed patients affected by high-grade gliomas located in the right parietal lobe. Preoperatively, none of the patients presented with calculation deficits. In all 3 cases, after sensorimotor and language mapping, cortical and intraparietal sulcus areas involved in single-digit multiplication and addition calculations were mapped using bipolar electrostimulation. In all patients, different sites of the right parietal cortex, mainly in the inferior lobule, were detected as being specifically related to calculation (multiplication or addition). In 2 patients the intraparietal sulcus was functionally specific for multiplication. No functional sites for language were detected. All sites functional for calculation were spared during tumor resection, which was complete in all cases without postoperative neurological deficits. These findings provide intraoperative data in support of an anatomofunctional organization for multiplication and addition within the right parietal area. Furthermore, the study shows the potential clinical relevance of intraoperative mapping of calculation in patients undergoing surgery in the right parietal area. Further and larger studies are needed to confirm these data and assess whether mapped areas are effectively essential for function.

Development of Gravity Acceleration Measurement Using Simple Harmonic Motion Pendulum Method Based on Digital Technology and Photogate Sensor

NASA Astrophysics Data System (ADS)

Yulkifli; Afandi, Zurian; Yohandri

2018-04-01

Development of gravitation acceleration measurement using simple harmonic motion pendulum method, digital technology and photogate sensor has been done. Digital technology is more practical and optimizes the time of experimentation. The pendulum method is a method of calculating the acceleration of gravity using a solid ball that connected to a rope attached to a stative pole. The pendulum is swung at a small angle resulted a simple harmonic motion. The measurement system consists of a power supply, Photogate sensors, Arduino pro mini and seven segments. The Arduino pro mini receives digital data from the photogate sensor and processes the digital data into the timing data of the pendulum oscillation. The calculation result of the pendulum oscillation time is displayed on seven segments. Based on measured data, the accuracy and precision of the experiment system are 98.76% and 99.81%, respectively. Based on experiment data, the system can be operated in physics experiment especially in determination of the gravity acceleration.

A simple formula for predicting claw volume of cattle.

PubMed

Scott, T D; Naylor, J M; Greenough, P R

1999-11-01

The object of this study was to develop a simple method for accurately calculating the volume of bovine claws under field conditions. The digits of 30 slaughterhouse beef cattle were examined and the following four linear measurements taken from each pair of claws: (1) the length of the dorsal surface of the claw (Toe); (2) the length of the coronary band (CorBand); (3) the length of the bearing surface (Base); and (4) the height of the claw at the abaxial groove (AbaxGr). Measurements of claw volume using a simple hydrometer were highly repeatable (r(2)= 0.999) and could be calculated from linear measurements using the formula:Claw Volume (cm(3)) = (17.192 x Base) + (7.467 x AbaxGr) + 45.270 x (CorBand) - 798.5This formula was found to be accurate (r(2)= 0.88) when compared to volume data derived from a hydrometer displacement procedure. The front claws occupied 54% of the total volume compared to 46% for the hind claws. Copyright 1999 Harcourt Publishers Ltd.

Dietary guidelines in the Czech Republic. II.: Nutritional profiles of food groups.

PubMed

Brázdová, Z; Fiala, J; Bauerová, J; Mullerová, D

2000-11-01

Modern dietary guidelines set in terms of food groups are easy to use and understand for target populations, but rather complicated from the point of view of quantification, i.e. the correctly set number of recommended servings in different population groups according to age, sex, physical activity and physiological status on the basis of required intake of energy and individual nutrients. It is the use of abstract comprehensive food groups that makes it impossible to use a simple database of food tables based on the content of nutrients in individual foods, rather than their groups. Using groups requires that their nutritional profiles be established, i.e. that an average content of nutrients and energy for individual groups be calculated. To calculate nutritional profiles for Czech dietary guidelines, the authors used three different methods: (1) Simple profiles, with all commodities with significant representation in the Czech food basket represented in equal amounts. (2) Profiles based on typical servings, with the same commodities as in (1) but in characteristic intake quantities (typical servings). (3) Food basket-based profiles with commodities constituting the Czech food basket in quantities identical for that basket. The results showed significant differences in profiles calculated by different methods. Calculated nutrient intakes were particularly influenced by the size of typical servings and it is therefore essential that a realistic size of servings be used in calculations. The consistent use of recommended food items throughout all food groups and subgroups is very important. The number of servings of foods from the five food groups is not enough if a suitable food item is not chosen within individual groups. On the basis of their findings, the authors fully recommend the use of nutritional profiles based on typical servings that give a realistic idea of the probable energy and nutrient content in the recommended daily intake. In view of regional cultural differences, national nutritional profiles play a vital importance. Population studies investigating the size of the typical servings and the most frequently occurring commodities in the food basket should be made every three years. Nutritional profiles designed in this way constitute an important starting point for setting national dietary guidelines, their implementation and revisions.

TU-H-CAMPUS-IeP1-03: Comparison of Monte Carlo Simulation and Conversion Factor Based Method On Estimation of Effective Dose in Pediatric Patients Undergoing Interventional Cardiac Procedures

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

Leung, K; Wong, M; Ng, Y

Purpose: Interventional cardiac procedures utilize frequent fluoroscopy and cineangiography, which impose considerable radiation risk to patients, especially pediatric patients. Accurate calculation of effective dose is important in order to estimate cancer risk over the rest of their lifetime. This study evaluates the difference in effective dose calculated by Monte Carlo simulation with those estimated by locally-derived conversion factors (CF-local) and by commonly quoted conversion factors from Karambatsakidou et al (CF-K). Methods: Effective dose (E),of 12 pediatric patients, age between 2.5–19 years old, who had undergone interventional cardiac procedures, were calculated using PCXMC-2.0 software. Tube spectrum, irradiation geometry, exposure parameters andmore » dose-area product (DAP) of each projection were included in the software calculation. Effective doses for each patient were also estimated by two Methods: 1) CF-local: conversion factor derived locally by generalizing results of 12 patients, multiplied by DAP of each patient gives E-local. 2) CF-K: selected factor from above-mentioned literature, multiplied by DAP of each patient gives E-K. Results: Mean of E, E-local and E-K were 16.01 mSv, 16.80 mSv and 22.25 mSv respectively. A deviation of −29.35% to +34.85% between E and E-local, while a greater deviation of −28.96% to +60.86% between E and EK were observed. E-K overestimated the effective dose for patients at age 7.5–19. Conclusion: Effective dose obtained by conversion factors is simple and quick to estimate radiation risk of pediatric patients. This study showed that estimation by CF-local may bear an error of 35% when compared with Monte Carlo calculation. If using conversion factors derived by other studies may result in an even greater error, of up to 60%, due to factors that are not catered for in the estimation, including patient size, projection angles, exposure parameters, tube filtration, etc. Users must be aware of these potential inaccuracies when simple conversion method is employed.« less

A single scaling parameter as a first approximation to describe the rainfall pattern of a place: application on Catalonia

NASA Astrophysics Data System (ADS)

Casas-Castillo, M. Carmen; Llabrés-Brustenga, Alba; Rius, Anna; Rodríguez-Solà, Raúl; Navarro, Xavier

2018-02-01

As well as in other natural processes, it has been frequently observed that the phenomenon arising from the rainfall generation process presents fractal self-similarity of statistical type, and thus, rainfall series generally show scaling properties. Based on this fact, there is a methodology, simple scaling, which is used quite broadly to find or reproduce the intensity-duration-frequency curves of a place. In the present work, the relationship of the simple scaling parameter with the characteristic rainfall pattern of the area of study has been investigated. The calculation of this scaling parameter has been performed from 147 daily rainfall selected series covering the temporal period between 1883 and 2016 over the Catalonian territory (Spain) and its nearby surroundings, and a discussion about the relationship between the scaling parameter spatial distribution and rainfall pattern, as well as about trends of this scaling parameter over the past decades possibly due to climate change, has been presented.

Dark neutrino interactions make gravitational waves blue

NASA Astrophysics Data System (ADS)

Ghosh, Subhajit; Khatri, Rishi; Roy, Tuhin S.

2018-03-01

New interactions of neutrinos can stop them from free-streaming in the early Universe even after the weak decoupling epoch. This results in the enhancement of the primordial gravitational wave amplitude on small scales compared to the standard Λ CDM prediction. In this paper, we calculate the effect of dark matter neutrino interactions in CMB tensor B -modes spectrum. We show that the effect of new neutrino interactions generates a scale- or ℓ-dependent imprint in the CMB B -modes power spectrum at ℓ≳100 . In the event that primordial B -modes are detected by future experiments, a departure from scale invariance, with a blue spectrum, may not necessarily mean failure of simple inflationary models but instead may be a sign of nonstandard interactions of relativistic particles. New interactions of neutrinos also induce a phase shift in the CMB B -mode power spectrum which cannot be mimicked by simple modifications of the primordial tensor power spectrum. There is rich information hidden in the CMB B -modes spectrum beyond just the tensor-to-scalar ratio.

Image quality evaluation of full reference algorithm

NASA Astrophysics Data System (ADS)

He, Nannan; Xie, Kai; Li, Tong; Ye, Yushan

2018-03-01

Image quality evaluation is a classic research topic, the goal is to design the algorithm, given the subjective feelings consistent with the evaluation value. This paper mainly introduces several typical reference methods of Mean Squared Error(MSE), Peak Signal to Noise Rate(PSNR), Structural Similarity Image Metric(SSIM) and feature similarity(FSIM) of objective evaluation methods. The different evaluation methods are tested by Matlab, and the advantages and disadvantages of these methods are obtained by analyzing and comparing them.MSE and PSNR are simple, but they are not considered to introduce HVS characteristics into image quality evaluation. The evaluation result is not ideal. SSIM has a good correlation and simple calculation ,because it is considered to the human visual effect into image quality evaluation,However the SSIM method is based on a hypothesis,The evaluation result is limited. The FSIM method can be used for test of gray image and color image test, and the result is better. Experimental results show that the new image quality evaluation algorithm based on FSIM is more accurate.

Production and condensation of organic gases in the atmosphere of Titan

NASA Technical Reports Server (NTRS)

Sagan, C.; Thompson, W. R.

1982-01-01

The rates and altitudes for the dissociation of atmospheric constituents on Titan are calculated for solar ultraviolet radiation, the solar wind, Saturn magnetospheric particles, the Saturn co-rotating plasma, and cosmic rays. Laboratory experiments show that a variety of simple gas phase organic molecules and more complex organic solids called tholins are produced by such irradiations of simulated Titanian atmospheres. Except for ultraviolet wavelengths longward of the methane photodissociation continuum, most dissociation events occur between about 3100 and 3600 km altitude, corresponding well to the region of EUV opacity detected by Voyager. For a wide variety of simple to moderately complex organic gases in the Titanian atmosphere, condensation occurs below the top of the main cloud deck at about 2825 km. It is proposed that such condensates, beginning with CH4 at about 2615 km, comprise the principal mass of the Titan clouds. There is a distinct tendency for the atmosphere of Titan to act as a fractional distillation device, molecules of greater complexity condensing out at higher altitudes.

Lensing in the geodesic light-cone coordinates and its (exact) illustration to an off-center observer in Lemaȋtre-Tolman-Bondi models

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

Fanizza, G.; Nugier, F., E-mail: giuseppe.fanizza@ba.infn.it, E-mail: fabienjean.nugier@unibo.it

We present in this paper a new application of the geodesic light-cone (GLC) gauge for weak lensing calculations. Using interesting properties of this gauge, we derive an exact expression of the amplification matrix—involving convergence, magnification and shear—and of the deformation matrix—involving the optical scalars. These expressions are simple and non-perturbative as long as no caustics are created on the past light-cone and are, by construction, free from the thin lens approximation. We apply these general expressions on the example of an Lemaȋtre-Tolman-Bondi (LTB) model with an off-center observer and obtain explicit forms for the lensing quantities as a direct consequencemore » of the non-perturbative transformation between GLC and LTB coordinates. We show their evolution in redshift after a numerical integration, for underdense and overdense LTB models, and interpret their respective variations in the simple non-curvature case.« less

A simple, remote, video based breathing monitor.

PubMed

Regev, Nir; Wulich, Dov

2017-07-01

Breathing monitors have become the all-important cornerstone of a wide variety of commercial and personal safety applications, ranging from elderly care to baby monitoring. Many such monitors exist in the market, some, with vital signs monitoring capabilities, but none remote. This paper presents a simple, yet efficient, real time method of extracting the subject's breathing sinus rhythm. Points of interest are detected on the subject's body, and the corresponding optical flow is estimated and tracked using the well known Lucas-Kanade algorithm on a frame by frame basis. A generalized likelihood ratio test is then utilized on each of the many interest points to detect which is moving in harmonic fashion. Finally, a spectral estimation algorithm based on Pisarenko harmonic decomposition tracks the harmonic frequency in real time, and a fusion maximum likelihood algorithm optimally estimates the breathing rate using all points considered. The results show a maximal error of 1 BPM between the true breathing rate and the algorithm's calculated rate, based on experiments on two babies and three adults.

Gravitational decoupling and the Picard-Lefschetz approach

NASA Astrophysics Data System (ADS)

Brown, Jon; Cole, Alex; Shiu, Gary; Cottrell, William

2018-01-01

In this work, we consider tunneling between nonmetastable states in gravitational theories. Such processes arise in various contexts, e.g., in inflationary scenarios where the inflaton potential involves multiple fields or multiple branches. They are also relevant for bubble wall nucleation in some cosmological settings. However, we show that the transition amplitudes computed using the Euclidean method generally do not approach the corresponding field theory limit as Mp→∞ . This implies that in the Euclidean framework, there is no systematic expansion in powers of GN for such processes. Such considerations also carry over directly to no-boundary scenarios involving Hawking-Turok instantons. In this note, we illustrate this failure of decoupling in the Euclidean approach with a simple model of axion monodromy and then argue that the situation can be remedied with a Lorentzian prescription such as the Picard-Lefschetz theory. As a proof of concept, we illustrate with a simple model how tunneling transition amplitudes can be calculated using the Picard-Lefschetz approach.

An Alternative Derivation of the Energy Levels of the "Particle on a Ring" System

NASA Astrophysics Data System (ADS)

Vincent, Alan

1996-10-01

All acceptable wave functions must be continuous mathematical functions. This criterion limits the acceptable functions for a particle in a linear 1-dimensional box to sine functions. If, however, the linear box is bent round into a ring, acceptable wave functions are those which are continuous at the 'join'. On this model some acceptable linear functions become unacceptable for the ring and some unacceptable cosine functions become acceptable. This approach can be used to produce a straightforward derivation of the energy levels and wave functions of the particle on a ring. These simple wave mechanical systems can be used as models of linear and cyclic delocalised systems such as conjugated hydrocarbons or the benzene ring. The promotion energy of an electron can then be used to calculate the wavelength of absorption of uv light. The simple model gives results of the correct order of magnitude and shows that, as the chain length increases, the uv maximum moves to longer wavelengths, as found experimentally.

Relation of the external mechanical stress to the properties of piezoelectric materials for energy harvesting

NASA Astrophysics Data System (ADS)

Jeong, Soon-Jong; Kim, Min-Soo; Lee, Dae-Su; Song, Jae-Sung; Cho, Kyung-Ho

2013-12-01

We investigated the piezoelectric properties and the generation of voltage and power under the mechanical compressive loads for three types of piezoelectric ceramics 0.2Pb(Mg1/3Nb2/3)O3-0.8Pb(Zr0.475Ti0.525)O3 (soft-PZT), 0.1Pb(Mg1/3Sb2/3)O3- 0.9Pb(Zr0.475Ti0.525)O3 (hard-PZT) and [0.675Pb(Mg1/3Nb2/3)O3-0.35PbTiO3]+5 wt% BaTiO3 (textured-PMNT). The piezoelectric d 33 coefficients of all specimens increased with increasing compressive load. The generated voltage and power showed a linear relation and square relation to the applied stress, respectively. These results were larger than those calculated using the simple piezoelectric equation due to the non-linear characteristics of the ceramics, so they were evaluated with a simple model based on a non-linear relation.

Random sequential adsorption of straight rigid rods on a simple cubic lattice

NASA Astrophysics Data System (ADS)

García, G. D.; Sanchez-Varretti, F. O.; Centres, P. M.; Ramirez-Pastor, A. J.

2015-10-01

Random sequential adsorption of straight rigid rods of length k (k-mers) on a simple cubic lattice has been studied by numerical simulations and finite-size scaling analysis. The k-mers were irreversibly and isotropically deposited into the lattice. The calculations were performed by using a new theoretical scheme, whose accuracy was verified by comparison with rigorous analytical data. The results, obtained for k ranging from 2 to 64, revealed that (i) the jamming coverage for dimers (k = 2) is θj = 0.918388(16) . Our result corrects the previously reported value of θj = 0.799(2) (Tarasevich and Cherkasova, 2007); (ii) θj exhibits a decreasing function when it is plotted in terms of the k-mer size, being θj(∞) = 0.4045(19) the value of the limit coverage for large k's; and (iii) the ratio between percolation threshold and jamming coverage shows a non-universal behavior, monotonically decreasing to zero with increasing k.

The effect of the configuration of a single electrode corona discharge on its acoustic characteristics

NASA Astrophysics Data System (ADS)

Zhu, Xinlei; Zhang, Liancheng; Huang, Yifan; Wang, Jin; Liu, Zhen; Yan, Keping

2017-07-01

A new sparker system based on pulsed spark discharge with a single electrode has already been utilized for oceanic seismic exploration. However, the electro-acoustic energy efficiency of this system is lower than that of arc discharge based systems. A simple electrode structure was investigated in order to improve the electro-acoustic energy efficiency of the spark discharge. Experiments were carried out on an experimental setup with discharge in water driven by a pulsed power source. The voltage-current waveform, acoustic signal and bubble oscillation were recorded when the relative position of the electrode varied. The electro-acoustic energy efficiency was also calculated. The load voltage had a saltation for the invaginated electrode tip, namely an obvious voltage remnant. The more the electrode tip was invaginated, the larger the pressure peaks and first period became. The results show that electrode recessing into the insulating layer is a simple and effective way to improve the electro-acoustic energy efficiency from 2% to about 4%.